USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=26 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 539 TYR OH : rot 149:sc= 0.0542 USER MOD Set 1.2: A 556 THR OG1 : rot 180:sc= 0.0509 USER MOD Set 2.1: A 515 SER OG : rot -101:sc= 0.0475 USER MOD Set 2.2: A 517 SER OG : rot 180:sc= -0.246 USER MOD Set 2.3: A 649 SER OG : rot 85:sc= 0.00136 USER MOD Single : A 506 THR OG1 : rot 19:sc= 0.981 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.8!) USER MOD Single : A 521 MET CE :methyl 169:sc= -4.16! (180deg=-4.76!) USER MOD Single : A 524 LYS NZ :NH3+ 171:sc= -0.01 (180deg=-0.15) USER MOD Single : A 528 THR OG1 : rot -120:sc= 1.21 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN :FLIP amide:sc= -1.69 F(o=-3.7!,f=-1.7) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 45:sc= 0.266 USER MOD Single : A 545 THR OG1 : rot -32:sc= 0.362 USER MOD Single : A 557 CYS SG : rot 180:sc= 0.00377 USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.47) USER MOD Single : A 569 LYS NZ :NH3+ -114:sc= 0.818 (180deg=0.101) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 166:sc= -0.0515 (180deg=-0.237) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ -172:sc=-0.00659 (180deg=-0.0855) USER MOD Single : A 584 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 585 LYS NZ :NH3+ -150:sc= 1.53 (180deg=0.521) USER MOD Single : A 586 THR OG1 : rot 30:sc= 1.16 USER MOD Single : A 639 HIS : no HD1:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 640 THR OG1 : rot 49:sc= -0.589 USER MOD Single : A 641 LYS NZ :NH3+ -176:sc= 1.1 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.292 -12.990 -3.424 1.00 41.41 N ATOM 29 CA GLY A 503 -5.866 -12.143 -2.454 1.00 72.20 C ATOM 30 C GLY A 503 -6.182 -10.768 -2.962 1.00 34.44 C ATOM 31 O GLY A 503 -5.898 -10.436 -4.103 1.00 73.21 O ATOM 0 HA2 GLY A 503 -6.782 -12.602 -2.081 1.00 72.20 H new ATOM 0 HA3 GLY A 503 -5.184 -12.060 -1.608 1.00 72.20 H new ATOM 35 N ILE A 504 -6.831 -10.006 -2.127 1.00 54.52 N ATOM 36 CA ILE A 504 -7.119 -8.617 -2.370 1.00 34.34 C ATOM 37 C ILE A 504 -6.453 -7.810 -1.259 1.00 62.30 C ATOM 38 O ILE A 504 -6.965 -7.723 -0.149 1.00 1.11 O ATOM 39 CB ILE A 504 -8.663 -8.259 -2.396 1.00 42.42 C ATOM 40 CG1 ILE A 504 -9.454 -9.030 -3.486 1.00 12.14 C ATOM 41 CG2 ILE A 504 -8.860 -6.757 -2.594 1.00 13.03 C ATOM 42 CD1 ILE A 504 -9.738 -10.489 -3.174 1.00 63.15 C ATOM 0 H ILE A 504 -7.185 -10.342 -1.232 1.00 54.52 H new ATOM 0 HA ILE A 504 -6.738 -8.380 -3.363 1.00 34.34 H new ATOM 0 HB ILE A 504 -9.061 -8.568 -1.429 1.00 42.42 H new ATOM 0 HG12 ILE A 504 -10.403 -8.520 -3.652 1.00 12.14 H new ATOM 0 HG13 ILE A 504 -8.896 -8.978 -4.421 1.00 12.14 H new ATOM 0 HG21 ILE A 504 -9.926 -6.529 -2.609 1.00 13.03 H new ATOM 0 HG22 ILE A 504 -8.385 -6.217 -1.775 1.00 13.03 H new ATOM 0 HG23 ILE A 504 -8.410 -6.452 -3.539 1.00 13.03 H new ATOM 0 HD11 ILE A 504 -10.295 -10.936 -3.998 1.00 63.15 H new ATOM 0 HD12 ILE A 504 -8.797 -11.022 -3.041 1.00 63.15 H new ATOM 0 HD13 ILE A 504 -10.327 -10.558 -2.259 1.00 63.15 H new ATOM 54 N PHE A 505 -5.290 -7.309 -1.533 1.00 51.20 N ATOM 55 CA PHE A 505 -4.551 -6.501 -0.580 1.00 1.44 C ATOM 56 C PHE A 505 -4.597 -5.073 -1.110 1.00 74.32 C ATOM 57 O PHE A 505 -4.073 -4.806 -2.195 1.00 13.42 O ATOM 58 CB PHE A 505 -3.088 -6.973 -0.541 1.00 4.33 C ATOM 59 CG PHE A 505 -2.916 -8.462 -0.351 1.00 3.24 C ATOM 60 CD1 PHE A 505 -2.903 -9.022 0.911 1.00 74.02 C ATOM 61 CD2 PHE A 505 -2.767 -9.297 -1.448 1.00 34.12 C ATOM 62 CE1 PHE A 505 -2.745 -10.389 1.076 1.00 22.20 C ATOM 63 CE2 PHE A 505 -2.611 -10.657 -1.289 1.00 40.04 C ATOM 64 CZ PHE A 505 -2.600 -11.204 -0.025 1.00 32.52 C ATOM 0 H PHE A 505 -4.813 -7.442 -2.425 1.00 51.20 H new ATOM 0 HA PHE A 505 -4.973 -6.576 0.422 1.00 1.44 H new ATOM 0 HB2 PHE A 505 -2.600 -6.679 -1.470 1.00 4.33 H new ATOM 0 HB3 PHE A 505 -2.573 -6.454 0.268 1.00 4.33 H new ATOM 0 HD1 PHE A 505 -3.017 -8.388 1.778 1.00 74.02 H new ATOM 0 HD2 PHE A 505 -2.773 -8.875 -2.442 1.00 34.12 H new ATOM 0 HE1 PHE A 505 -2.736 -10.815 2.068 1.00 22.20 H new ATOM 0 HE2 PHE A 505 -2.498 -11.293 -2.154 1.00 40.04 H new ATOM 0 HZ PHE A 505 -2.478 -12.269 0.103 1.00 32.52 H new ATOM 74 N THR A 506 -5.225 -4.179 -0.415 1.00 63.02 N ATOM 75 CA THR A 506 -5.410 -2.847 -0.941 1.00 34.02 C ATOM 76 C THR A 506 -5.403 -1.840 0.208 1.00 4.10 C ATOM 77 O THR A 506 -5.507 -2.237 1.379 1.00 31.33 O ATOM 78 CB THR A 506 -6.784 -2.795 -1.725 1.00 61.13 C ATOM 79 OG1 THR A 506 -6.953 -1.563 -2.440 1.00 73.04 O ATOM 80 CG2 THR A 506 -7.981 -3.012 -0.798 1.00 33.33 C ATOM 0 H THR A 506 -5.619 -4.336 0.513 1.00 63.02 H new ATOM 0 HA THR A 506 -4.600 -2.593 -1.625 1.00 34.02 H new ATOM 0 HB THR A 506 -6.745 -3.612 -2.445 1.00 61.13 H new ATOM 0 HG1 THR A 506 -6.082 -1.128 -2.553 1.00 73.04 H new ATOM 0 HG21 THR A 506 -8.903 -2.968 -1.378 1.00 33.33 H new ATOM 0 HG22 THR A 506 -7.899 -3.988 -0.320 1.00 33.33 H new ATOM 0 HG23 THR A 506 -7.996 -2.234 -0.034 1.00 33.33 H new ATOM 88 N PHE A 507 -5.241 -0.570 -0.114 1.00 21.23 N ATOM 89 CA PHE A 507 -5.347 0.481 0.876 1.00 1.50 C ATOM 90 C PHE A 507 -6.756 0.996 0.844 1.00 53.34 C ATOM 91 O PHE A 507 -7.475 0.768 -0.144 1.00 31.35 O ATOM 92 CB PHE A 507 -4.368 1.636 0.620 1.00 13.30 C ATOM 93 CG PHE A 507 -2.914 1.297 0.796 1.00 61.05 C ATOM 94 CD1 PHE A 507 -2.416 0.950 2.041 1.00 61.01 C ATOM 95 CD2 PHE A 507 -2.042 1.363 -0.270 1.00 33.14 C ATOM 96 CE1 PHE A 507 -1.076 0.670 2.213 1.00 2.50 C ATOM 97 CE2 PHE A 507 -0.699 1.080 -0.108 1.00 62.25 C ATOM 98 CZ PHE A 507 -0.218 0.734 1.138 1.00 34.10 C ATOM 0 H PHE A 507 -5.035 -0.242 -1.058 1.00 21.23 H new ATOM 0 HA PHE A 507 -5.092 0.068 1.852 1.00 1.50 H new ATOM 0 HB2 PHE A 507 -4.519 2.000 -0.396 1.00 13.30 H new ATOM 0 HB3 PHE A 507 -4.617 2.457 1.292 1.00 13.30 H new ATOM 0 HD1 PHE A 507 -3.085 0.898 2.887 1.00 61.01 H new ATOM 0 HD2 PHE A 507 -2.414 1.640 -1.245 1.00 33.14 H new ATOM 0 HE1 PHE A 507 -0.701 0.401 3.189 1.00 2.50 H new ATOM 0 HE2 PHE A 507 -0.029 1.129 -0.953 1.00 62.25 H new ATOM 0 HZ PHE A 507 0.831 0.513 1.270 1.00 34.10 H new ATOM 108 N GLU A 508 -7.165 1.648 1.901 1.00 34.44 N ATOM 109 CA GLU A 508 -8.501 2.167 1.988 1.00 21.32 C ATOM 110 C GLU A 508 -8.475 3.583 1.445 1.00 4.15 C ATOM 111 O GLU A 508 -9.433 4.067 0.814 1.00 24.54 O ATOM 112 CB GLU A 508 -8.950 2.169 3.448 1.00 32.11 C ATOM 113 CG GLU A 508 -10.436 2.267 3.646 1.00 0.42 C ATOM 114 CD GLU A 508 -10.810 2.380 5.099 1.00 42.04 C ATOM 115 OE1 GLU A 508 -10.388 3.355 5.769 1.00 53.11 O ATOM 116 OE2 GLU A 508 -11.559 1.525 5.607 1.00 23.41 O ATOM 0 H GLU A 508 -6.585 1.832 2.719 1.00 34.44 H new ATOM 0 HA GLU A 508 -9.198 1.555 1.415 1.00 21.32 H new ATOM 0 HB2 GLU A 508 -8.593 1.257 3.925 1.00 32.11 H new ATOM 0 HB3 GLU A 508 -8.473 3.005 3.960 1.00 32.11 H new ATOM 0 HG2 GLU A 508 -10.816 3.134 3.106 1.00 0.42 H new ATOM 0 HG3 GLU A 508 -10.917 1.388 3.216 1.00 0.42 H new ATOM 123 N GLU A 509 -7.369 4.227 1.678 1.00 70.31 N ATOM 124 CA GLU A 509 -7.127 5.551 1.244 1.00 2.21 C ATOM 125 C GLU A 509 -5.854 5.589 0.412 1.00 63.11 C ATOM 126 O GLU A 509 -4.862 4.961 0.765 1.00 12.33 O ATOM 127 CB GLU A 509 -6.992 6.513 2.450 1.00 43.43 C ATOM 128 CG GLU A 509 -5.830 6.224 3.422 1.00 61.23 C ATOM 129 CD GLU A 509 -6.023 4.988 4.271 1.00 62.40 C ATOM 130 OE1 GLU A 509 -5.725 3.862 3.813 1.00 32.45 O ATOM 131 OE2 GLU A 509 -6.473 5.125 5.429 1.00 25.21 O ATOM 0 H GLU A 509 -6.589 3.820 2.195 1.00 70.31 H new ATOM 0 HA GLU A 509 -7.973 5.877 0.639 1.00 2.21 H new ATOM 0 HB2 GLU A 509 -6.876 7.527 2.068 1.00 43.43 H new ATOM 0 HB3 GLU A 509 -7.925 6.489 3.014 1.00 43.43 H new ATOM 0 HG2 GLU A 509 -4.910 6.116 2.848 1.00 61.23 H new ATOM 0 HG3 GLU A 509 -5.698 7.084 4.078 1.00 61.23 H new ATOM 138 N PRO A 510 -5.873 6.278 -0.726 1.00 22.14 N ATOM 139 CA PRO A 510 -4.678 6.465 -1.527 1.00 33.04 C ATOM 140 C PRO A 510 -3.868 7.673 -1.049 1.00 14.40 C ATOM 141 O PRO A 510 -2.778 7.948 -1.542 1.00 44.31 O ATOM 142 CB PRO A 510 -5.230 6.709 -2.922 1.00 11.01 C ATOM 143 CG PRO A 510 -6.556 7.358 -2.702 1.00 63.05 C ATOM 144 CD PRO A 510 -7.067 6.861 -1.373 1.00 43.42 C ATOM 0 HA PRO A 510 -3.997 5.616 -1.472 1.00 33.04 H new ATOM 0 HB2 PRO A 510 -4.567 7.351 -3.502 1.00 11.01 H new ATOM 0 HB3 PRO A 510 -5.334 5.775 -3.475 1.00 11.01 H new ATOM 0 HG2 PRO A 510 -6.459 8.444 -2.698 1.00 63.05 H new ATOM 0 HG3 PRO A 510 -7.249 7.103 -3.503 1.00 63.05 H new ATOM 0 HD2 PRO A 510 -7.487 7.672 -0.778 1.00 43.42 H new ATOM 0 HD3 PRO A 510 -7.855 6.118 -1.501 1.00 43.42 H new ATOM 152 N VAL A 511 -4.416 8.384 -0.083 1.00 20.03 N ATOM 153 CA VAL A 511 -3.822 9.581 0.475 1.00 72.13 C ATOM 154 C VAL A 511 -4.113 9.619 1.965 1.00 31.33 C ATOM 155 O VAL A 511 -5.245 9.352 2.389 1.00 10.34 O ATOM 156 CB VAL A 511 -4.416 10.885 -0.176 1.00 15.33 C ATOM 157 CG1 VAL A 511 -3.893 12.133 0.494 1.00 41.32 C ATOM 158 CG2 VAL A 511 -4.145 10.960 -1.666 1.00 60.21 C ATOM 0 H VAL A 511 -5.309 8.138 0.345 1.00 20.03 H new ATOM 0 HA VAL A 511 -2.751 9.552 0.276 1.00 72.13 H new ATOM 0 HB VAL A 511 -5.494 10.828 -0.026 1.00 15.33 H new ATOM 0 HG11 VAL A 511 -4.326 13.011 0.016 1.00 41.32 H new ATOM 0 HG12 VAL A 511 -4.167 12.122 1.549 1.00 41.32 H new ATOM 0 HG13 VAL A 511 -2.808 12.168 0.401 1.00 41.32 H new ATOM 0 HG21 VAL A 511 -4.575 11.877 -2.068 1.00 60.21 H new ATOM 0 HG22 VAL A 511 -3.069 10.956 -1.841 1.00 60.21 H new ATOM 0 HG23 VAL A 511 -4.596 10.100 -2.162 1.00 60.21 H new ATOM 168 N THR A 512 -3.120 9.924 2.738 1.00 2.41 N ATOM 169 CA THR A 512 -3.286 10.083 4.141 1.00 62.23 C ATOM 170 C THR A 512 -2.553 11.367 4.543 1.00 50.31 C ATOM 171 O THR A 512 -1.436 11.639 4.060 1.00 63.20 O ATOM 172 CB THR A 512 -2.774 8.820 4.948 1.00 71.22 C ATOM 173 OG1 THR A 512 -3.139 8.903 6.333 1.00 13.05 O ATOM 174 CG2 THR A 512 -1.262 8.653 4.847 1.00 13.10 C ATOM 0 H THR A 512 -2.166 10.070 2.408 1.00 2.41 H new ATOM 0 HA THR A 512 -4.344 10.165 4.389 1.00 62.23 H new ATOM 0 HB THR A 512 -3.255 7.953 4.495 1.00 71.22 H new ATOM 0 HG1 THR A 512 -2.811 8.109 6.806 1.00 13.05 H new ATOM 0 HG21 THR A 512 -0.954 7.775 5.415 1.00 13.10 H new ATOM 0 HG22 THR A 512 -0.979 8.527 3.802 1.00 13.10 H new ATOM 0 HG23 THR A 512 -0.770 9.538 5.252 1.00 13.10 H new ATOM 182 N HIS A 513 -3.207 12.196 5.301 1.00 53.15 N ATOM 183 CA HIS A 513 -2.602 13.408 5.786 1.00 64.24 C ATOM 184 C HIS A 513 -2.172 13.190 7.196 1.00 34.41 C ATOM 185 O HIS A 513 -2.985 12.835 8.058 1.00 33.30 O ATOM 186 CB HIS A 513 -3.558 14.609 5.695 1.00 32.41 C ATOM 187 CG HIS A 513 -3.830 15.077 4.297 1.00 1.02 C ATOM 188 ND1 HIS A 513 -3.451 16.309 3.822 1.00 32.03 N ATOM 189 CD2 HIS A 513 -4.464 14.460 3.271 1.00 64.10 C ATOM 190 CE1 HIS A 513 -3.846 16.407 2.553 1.00 41.25 C ATOM 191 NE2 HIS A 513 -4.472 15.305 2.163 1.00 22.35 N ATOM 0 H HIS A 513 -4.171 12.055 5.602 1.00 53.15 H new ATOM 0 HA HIS A 513 -1.743 13.645 5.159 1.00 64.24 H new ATOM 0 HB2 HIS A 513 -4.504 14.342 6.167 1.00 32.41 H new ATOM 0 HB3 HIS A 513 -3.139 15.436 6.267 1.00 32.41 H new ATOM 0 HD1 HIS A 513 -2.953 17.026 4.350 1.00 32.03 H new ATOM 0 HD2 HIS A 513 -4.895 13.470 3.306 1.00 64.10 H new ATOM 0 HE1 HIS A 513 -3.678 17.270 1.925 1.00 41.25 H new ATOM 199 N VAL A 514 -0.916 13.363 7.444 1.00 1.42 N ATOM 200 CA VAL A 514 -0.389 13.127 8.751 1.00 15.14 C ATOM 201 C VAL A 514 0.116 14.415 9.342 1.00 72.12 C ATOM 202 O VAL A 514 0.440 15.367 8.614 1.00 62.11 O ATOM 203 CB VAL A 514 0.735 12.047 8.766 1.00 55.43 C ATOM 204 CG1 VAL A 514 0.213 10.719 8.249 1.00 43.12 C ATOM 205 CG2 VAL A 514 1.948 12.491 7.962 1.00 71.04 C ATOM 0 H VAL A 514 -0.230 13.669 6.755 1.00 1.42 H new ATOM 0 HA VAL A 514 -1.205 12.737 9.359 1.00 15.14 H new ATOM 0 HB VAL A 514 1.050 11.918 9.801 1.00 55.43 H new ATOM 0 HG11 VAL A 514 1.015 9.981 8.268 1.00 43.12 H new ATOM 0 HG12 VAL A 514 -0.608 10.380 8.881 1.00 43.12 H new ATOM 0 HG13 VAL A 514 -0.143 10.841 7.226 1.00 43.12 H new ATOM 0 HG21 VAL A 514 2.711 11.713 7.995 1.00 71.04 H new ATOM 0 HG22 VAL A 514 1.654 12.667 6.927 1.00 71.04 H new ATOM 0 HG23 VAL A 514 2.349 13.411 8.387 1.00 71.04 H new ATOM 215 N SER A 515 0.176 14.451 10.635 1.00 11.11 N ATOM 216 CA SER A 515 0.634 15.603 11.333 1.00 50.32 C ATOM 217 C SER A 515 2.154 15.559 11.357 1.00 25.52 C ATOM 218 O SER A 515 2.726 14.529 11.658 1.00 62.21 O ATOM 219 CB SER A 515 0.070 15.567 12.748 1.00 72.33 C ATOM 220 OG SER A 515 0.360 16.742 13.450 1.00 43.03 O ATOM 0 H SER A 515 -0.094 13.674 11.238 1.00 11.11 H new ATOM 0 HA SER A 515 0.306 16.523 10.849 1.00 50.32 H new ATOM 0 HB2 SER A 515 -1.010 15.425 12.706 1.00 72.33 H new ATOM 0 HB3 SER A 515 0.483 14.712 13.283 1.00 72.33 H new ATOM 0 HG SER A 515 1.118 16.585 14.052 1.00 43.03 H new ATOM 226 N GLU A 516 2.802 16.655 11.043 1.00 41.34 N ATOM 227 CA GLU A 516 4.261 16.700 10.990 1.00 1.52 C ATOM 228 C GLU A 516 4.897 16.554 12.389 1.00 21.11 C ATOM 229 O GLU A 516 6.095 16.403 12.512 1.00 74.34 O ATOM 230 CB GLU A 516 4.747 17.979 10.266 1.00 35.43 C ATOM 231 CG GLU A 516 6.242 17.991 9.914 1.00 54.23 C ATOM 232 CD GLU A 516 6.636 19.179 9.080 1.00 31.15 C ATOM 233 OE1 GLU A 516 6.804 20.273 9.557 1.00 52.20 O ATOM 234 OE2 GLU A 516 6.760 19.113 7.863 1.00 51.13 O ATOM 0 H GLU A 516 2.346 17.539 10.817 1.00 41.34 H new ATOM 0 HA GLU A 516 4.595 15.841 10.408 1.00 1.52 H new ATOM 0 HB2 GLU A 516 4.171 18.101 9.349 1.00 35.43 H new ATOM 0 HB3 GLU A 516 4.530 18.841 10.896 1.00 35.43 H new ATOM 0 HG2 GLU A 516 6.827 17.989 10.834 1.00 54.23 H new ATOM 0 HG3 GLU A 516 6.491 17.077 9.376 1.00 54.23 H new ATOM 241 N SER A 517 4.094 16.565 13.428 1.00 55.00 N ATOM 242 CA SER A 517 4.621 16.413 14.759 1.00 43.51 C ATOM 243 C SER A 517 4.371 14.996 15.280 1.00 1.13 C ATOM 244 O SER A 517 4.623 14.690 16.462 1.00 71.11 O ATOM 245 CB SER A 517 3.991 17.446 15.677 1.00 61.10 C ATOM 246 OG SER A 517 2.575 17.374 15.620 1.00 52.12 O ATOM 0 H SER A 517 3.081 16.677 13.376 1.00 55.00 H new ATOM 0 HA SER A 517 5.699 16.573 14.736 1.00 43.51 H new ATOM 0 HB2 SER A 517 4.327 17.282 16.701 1.00 61.10 H new ATOM 0 HB3 SER A 517 4.321 18.444 15.389 1.00 61.10 H new ATOM 0 HG SER A 517 2.189 18.046 16.219 1.00 52.12 H new ATOM 252 N ILE A 518 3.888 14.130 14.402 1.00 11.33 N ATOM 253 CA ILE A 518 3.566 12.776 14.775 1.00 65.51 C ATOM 254 C ILE A 518 4.846 11.936 14.809 1.00 74.14 C ATOM 255 O ILE A 518 5.827 12.259 14.123 1.00 52.45 O ATOM 256 CB ILE A 518 2.531 12.160 13.783 1.00 54.02 C ATOM 257 CG1 ILE A 518 1.792 11.004 14.431 1.00 11.50 C ATOM 258 CG2 ILE A 518 3.202 11.677 12.483 1.00 4.22 C ATOM 259 CD1 ILE A 518 0.629 10.549 13.611 1.00 5.22 C ATOM 0 H ILE A 518 3.712 14.350 13.422 1.00 11.33 H new ATOM 0 HA ILE A 518 3.115 12.780 15.768 1.00 65.51 H new ATOM 0 HB ILE A 518 1.822 12.948 13.529 1.00 54.02 H new ATOM 0 HG12 ILE A 518 2.480 10.171 14.577 1.00 11.50 H new ATOM 0 HG13 ILE A 518 1.443 11.306 15.418 1.00 11.50 H new ATOM 0 HG21 ILE A 518 2.447 11.255 11.819 1.00 4.22 H new ATOM 0 HG22 ILE A 518 3.689 12.519 11.990 1.00 4.22 H new ATOM 0 HG23 ILE A 518 3.945 10.915 12.718 1.00 4.22 H new ATOM 0 HD11 ILE A 518 0.131 9.720 14.114 1.00 5.22 H new ATOM 0 HD12 ILE A 518 -0.073 11.373 13.487 1.00 5.22 H new ATOM 0 HD13 ILE A 518 0.980 10.221 12.633 1.00 5.22 H new ATOM 271 N GLY A 519 4.854 10.918 15.624 1.00 13.33 N ATOM 272 CA GLY A 519 5.983 10.048 15.676 1.00 51.34 C ATOM 273 C GLY A 519 5.823 8.902 14.721 1.00 12.53 C ATOM 274 O GLY A 519 6.597 8.751 13.775 1.00 55.31 O ATOM 0 H GLY A 519 4.092 10.675 16.257 1.00 13.33 H new ATOM 0 HA2 GLY A 519 6.888 10.605 15.433 1.00 51.34 H new ATOM 0 HA3 GLY A 519 6.107 9.667 16.690 1.00 51.34 H new ATOM 278 N ILE A 520 4.799 8.118 14.945 1.00 43.54 N ATOM 279 CA ILE A 520 4.532 6.946 14.145 1.00 31.14 C ATOM 280 C ILE A 520 3.169 7.033 13.503 1.00 12.44 C ATOM 281 O ILE A 520 2.169 7.325 14.167 1.00 31.10 O ATOM 282 CB ILE A 520 4.631 5.626 14.997 1.00 42.14 C ATOM 283 CG1 ILE A 520 6.078 5.348 15.411 1.00 12.03 C ATOM 284 CG2 ILE A 520 4.045 4.410 14.264 1.00 43.42 C ATOM 285 CD1 ILE A 520 7.011 5.129 14.238 1.00 2.12 C ATOM 0 H ILE A 520 4.122 8.274 15.692 1.00 43.54 H new ATOM 0 HA ILE A 520 5.294 6.910 13.366 1.00 31.14 H new ATOM 0 HB ILE A 520 4.031 5.787 15.893 1.00 42.14 H new ATOM 0 HG12 ILE A 520 6.445 6.185 16.005 1.00 12.03 H new ATOM 0 HG13 ILE A 520 6.101 4.467 16.053 1.00 12.03 H new ATOM 0 HG21 ILE A 520 4.138 3.526 14.894 1.00 43.42 H new ATOM 0 HG22 ILE A 520 2.993 4.590 14.044 1.00 43.42 H new ATOM 0 HG23 ILE A 520 4.588 4.250 13.332 1.00 43.42 H new ATOM 0 HD11 ILE A 520 8.019 4.938 14.606 1.00 2.12 H new ATOM 0 HD12 ILE A 520 6.669 4.274 13.656 1.00 2.12 H new ATOM 0 HD13 ILE A 520 7.018 6.018 13.607 1.00 2.12 H new ATOM 297 N MET A 521 3.136 6.832 12.222 1.00 41.20 N ATOM 298 CA MET A 521 1.889 6.708 11.527 1.00 21.13 C ATOM 299 C MET A 521 1.734 5.261 11.140 1.00 65.13 C ATOM 300 O MET A 521 2.724 4.605 10.784 1.00 50.21 O ATOM 301 CB MET A 521 1.793 7.613 10.289 1.00 43.20 C ATOM 302 CG MET A 521 2.755 7.273 9.165 1.00 5.51 C ATOM 303 SD MET A 521 2.407 8.217 7.685 1.00 35.13 S ATOM 304 CE MET A 521 3.605 7.557 6.553 1.00 73.44 C ATOM 0 H MET A 521 3.964 6.750 11.632 1.00 41.20 H new ATOM 0 HA MET A 521 1.085 7.034 12.186 1.00 21.13 H new ATOM 0 HB2 MET A 521 0.775 7.565 9.902 1.00 43.20 H new ATOM 0 HB3 MET A 521 1.969 8.644 10.597 1.00 43.20 H new ATOM 0 HG2 MET A 521 3.777 7.469 9.489 1.00 5.51 H new ATOM 0 HG3 MET A 521 2.690 6.208 8.941 1.00 5.51 H new ATOM 0 HE1 MET A 521 3.383 7.905 5.544 1.00 73.44 H new ATOM 0 HE2 MET A 521 4.601 7.892 6.841 1.00 73.44 H new ATOM 0 HE3 MET A 521 3.568 6.468 6.578 1.00 73.44 H new ATOM 314 N GLU A 522 0.542 4.759 11.244 1.00 70.11 N ATOM 315 CA GLU A 522 0.264 3.384 10.941 1.00 61.51 C ATOM 316 C GLU A 522 -0.729 3.298 9.833 1.00 41.42 C ATOM 317 O GLU A 522 -1.885 3.694 9.981 1.00 42.14 O ATOM 318 CB GLU A 522 -0.258 2.656 12.157 1.00 41.11 C ATOM 319 CG GLU A 522 0.762 2.496 13.252 1.00 20.13 C ATOM 320 CD GLU A 522 0.186 1.911 14.503 1.00 64.34 C ATOM 321 OE1 GLU A 522 -0.700 2.544 15.121 1.00 2.12 O ATOM 322 OE2 GLU A 522 0.633 0.827 14.920 1.00 24.31 O ATOM 0 H GLU A 522 -0.273 5.294 11.544 1.00 70.11 H new ATOM 0 HA GLU A 522 1.194 2.908 10.631 1.00 61.51 H new ATOM 0 HB2 GLU A 522 -1.119 3.196 12.551 1.00 41.11 H new ATOM 0 HB3 GLU A 522 -0.611 1.670 11.855 1.00 41.11 H new ATOM 0 HG2 GLU A 522 1.571 1.858 12.897 1.00 20.13 H new ATOM 0 HG3 GLU A 522 1.199 3.468 13.479 1.00 20.13 H new ATOM 329 N VAL A 523 -0.282 2.810 8.734 1.00 25.02 N ATOM 330 CA VAL A 523 -1.122 2.674 7.576 1.00 33.23 C ATOM 331 C VAL A 523 -1.736 1.300 7.551 1.00 15.22 C ATOM 332 O VAL A 523 -1.025 0.307 7.641 1.00 35.43 O ATOM 333 CB VAL A 523 -0.335 2.906 6.283 1.00 35.05 C ATOM 334 CG1 VAL A 523 -1.255 2.834 5.069 1.00 51.13 C ATOM 335 CG2 VAL A 523 0.379 4.239 6.342 1.00 40.42 C ATOM 0 H VAL A 523 0.677 2.490 8.600 1.00 25.02 H new ATOM 0 HA VAL A 523 -1.905 3.430 7.639 1.00 33.23 H new ATOM 0 HB VAL A 523 0.411 2.118 6.182 1.00 35.05 H new ATOM 0 HG11 VAL A 523 -0.674 3.002 4.162 1.00 51.13 H new ATOM 0 HG12 VAL A 523 -1.722 1.850 5.024 1.00 51.13 H new ATOM 0 HG13 VAL A 523 -2.027 3.599 5.152 1.00 51.13 H new ATOM 0 HG21 VAL A 523 0.936 4.395 5.418 1.00 40.42 H new ATOM 0 HG22 VAL A 523 -0.352 5.038 6.464 1.00 40.42 H new ATOM 0 HG23 VAL A 523 1.068 4.246 7.186 1.00 40.42 H new ATOM 345 N LYS A 524 -3.036 1.267 7.445 1.00 4.54 N ATOM 346 CA LYS A 524 -3.805 0.051 7.433 1.00 33.43 C ATOM 347 C LYS A 524 -3.933 -0.511 6.027 1.00 4.32 C ATOM 348 O LYS A 524 -4.048 0.230 5.051 1.00 51.13 O ATOM 349 CB LYS A 524 -5.188 0.328 8.013 1.00 1.23 C ATOM 350 CG LYS A 524 -5.171 0.682 9.480 1.00 41.22 C ATOM 351 CD LYS A 524 -4.963 -0.544 10.331 1.00 35.31 C ATOM 352 CE LYS A 524 -4.898 -0.229 11.808 1.00 24.50 C ATOM 353 NZ LYS A 524 -6.093 0.483 12.297 1.00 40.35 N ATOM 0 H LYS A 524 -3.606 2.108 7.362 1.00 4.54 H new ATOM 0 HA LYS A 524 -3.288 -0.692 8.040 1.00 33.43 H new ATOM 0 HB2 LYS A 524 -5.649 1.144 7.457 1.00 1.23 H new ATOM 0 HB3 LYS A 524 -5.816 -0.551 7.868 1.00 1.23 H new ATOM 0 HG2 LYS A 524 -4.377 1.403 9.674 1.00 41.22 H new ATOM 0 HG3 LYS A 524 -6.111 1.163 9.752 1.00 41.22 H new ATOM 0 HD2 LYS A 524 -5.775 -1.248 10.150 1.00 35.31 H new ATOM 0 HD3 LYS A 524 -4.040 -1.038 10.029 1.00 35.31 H new ATOM 0 HE2 LYS A 524 -4.780 -1.157 12.367 1.00 24.50 H new ATOM 0 HE3 LYS A 524 -4.014 0.377 12.006 1.00 24.50 H new ATOM 0 HZ1 LYS A 524 -6.064 0.538 13.335 1.00 40.35 H new ATOM 0 HZ2 LYS A 524 -6.111 1.444 11.900 1.00 40.35 H new ATOM 0 HZ3 LYS A 524 -6.948 -0.030 12.001 1.00 40.35 H new ATOM 367 N VAL A 525 -3.887 -1.802 5.949 1.00 45.32 N ATOM 368 CA VAL A 525 -4.055 -2.533 4.704 1.00 73.54 C ATOM 369 C VAL A 525 -5.260 -3.439 4.880 1.00 32.11 C ATOM 370 O VAL A 525 -5.372 -4.101 5.912 1.00 72.34 O ATOM 371 CB VAL A 525 -2.816 -3.421 4.395 1.00 65.01 C ATOM 372 CG1 VAL A 525 -2.920 -4.065 3.016 1.00 53.54 C ATOM 373 CG2 VAL A 525 -1.527 -2.632 4.527 1.00 21.02 C ATOM 0 H VAL A 525 -3.729 -2.403 6.758 1.00 45.32 H new ATOM 0 HA VAL A 525 -4.181 -1.827 3.883 1.00 73.54 H new ATOM 0 HB VAL A 525 -2.798 -4.221 5.135 1.00 65.01 H new ATOM 0 HG11 VAL A 525 -2.038 -4.678 2.833 1.00 53.54 H new ATOM 0 HG12 VAL A 525 -3.812 -4.690 2.973 1.00 53.54 H new ATOM 0 HG13 VAL A 525 -2.985 -3.287 2.255 1.00 53.54 H new ATOM 0 HG21 VAL A 525 -0.679 -3.280 4.305 1.00 21.02 H new ATOM 0 HG22 VAL A 525 -1.538 -1.797 3.827 1.00 21.02 H new ATOM 0 HG23 VAL A 525 -1.436 -2.251 5.544 1.00 21.02 H new ATOM 383 N LEU A 526 -6.157 -3.452 3.913 1.00 73.42 N ATOM 384 CA LEU A 526 -7.356 -4.275 4.001 1.00 43.25 C ATOM 385 C LEU A 526 -7.017 -5.745 3.836 1.00 51.34 C ATOM 386 O LEU A 526 -6.176 -6.125 3.002 1.00 52.33 O ATOM 387 CB LEU A 526 -8.452 -3.875 2.973 1.00 24.21 C ATOM 388 CG LEU A 526 -9.169 -2.505 3.138 1.00 22.11 C ATOM 389 CD1 LEU A 526 -9.845 -2.367 4.488 1.00 13.04 C ATOM 390 CD2 LEU A 526 -8.233 -1.356 2.907 1.00 51.01 C ATOM 0 H LEU A 526 -6.082 -2.904 3.056 1.00 73.42 H new ATOM 0 HA LEU A 526 -7.765 -4.099 4.996 1.00 43.25 H new ATOM 0 HB2 LEU A 526 -7.998 -3.893 1.982 1.00 24.21 H new ATOM 0 HB3 LEU A 526 -9.217 -4.652 2.987 1.00 24.21 H new ATOM 0 HG LEU A 526 -9.945 -2.476 2.373 1.00 22.11 H new ATOM 0 HD11 LEU A 526 -10.331 -1.394 4.554 1.00 13.04 H new ATOM 0 HD12 LEU A 526 -10.591 -3.154 4.604 1.00 13.04 H new ATOM 0 HD13 LEU A 526 -9.100 -2.455 5.279 1.00 13.04 H new ATOM 0 HD21 LEU A 526 -8.772 -0.417 3.032 1.00 51.01 H new ATOM 0 HD22 LEU A 526 -7.415 -1.403 3.626 1.00 51.01 H new ATOM 0 HD23 LEU A 526 -7.831 -1.412 1.895 1.00 51.01 H new ATOM 402 N ARG A 527 -7.657 -6.547 4.637 1.00 43.35 N ATOM 403 CA ARG A 527 -7.492 -7.975 4.629 1.00 73.11 C ATOM 404 C ARG A 527 -8.281 -8.576 3.505 1.00 5.23 C ATOM 405 O ARG A 527 -9.467 -8.298 3.332 1.00 31.12 O ATOM 406 CB ARG A 527 -7.917 -8.557 5.997 1.00 54.03 C ATOM 407 CG ARG A 527 -8.065 -10.091 6.146 1.00 41.01 C ATOM 408 CD ARG A 527 -6.776 -10.879 5.988 1.00 61.41 C ATOM 409 NE ARG A 527 -6.840 -12.164 6.727 1.00 13.42 N ATOM 410 CZ ARG A 527 -7.684 -13.208 6.489 1.00 75.25 C ATOM 411 NH1 ARG A 527 -8.537 -13.193 5.465 1.00 45.53 N ATOM 412 NH2 ARG A 527 -7.652 -14.272 7.276 1.00 52.21 N ATOM 0 H ARG A 527 -8.326 -6.219 5.333 1.00 43.35 H new ATOM 0 HA ARG A 527 -6.443 -8.222 4.468 1.00 73.11 H new ATOM 0 HB2 ARG A 527 -7.190 -8.223 6.737 1.00 54.03 H new ATOM 0 HB3 ARG A 527 -8.873 -8.107 6.264 1.00 54.03 H new ATOM 0 HG2 ARG A 527 -8.487 -10.306 7.128 1.00 41.01 H new ATOM 0 HG3 ARG A 527 -8.783 -10.445 5.406 1.00 41.01 H new ATOM 0 HD2 ARG A 527 -6.592 -11.073 4.931 1.00 61.41 H new ATOM 0 HD3 ARG A 527 -5.937 -10.287 6.354 1.00 61.41 H new ATOM 0 HE ARG A 527 -6.181 -12.279 7.497 1.00 13.42 H new ATOM 0 HH11 ARG A 527 -8.568 -12.388 4.839 1.00 45.53 H new ATOM 0 HH12 ARG A 527 -9.159 -13.986 5.307 1.00 45.53 H new ATOM 0 HH21 ARG A 527 -6.997 -14.309 8.057 1.00 52.21 H new ATOM 0 HH22 ARG A 527 -8.282 -15.055 7.101 1.00 52.21 H new ATOM 426 N THR A 528 -7.594 -9.348 2.738 1.00 61.25 N ATOM 427 CA THR A 528 -8.147 -10.091 1.662 1.00 11.24 C ATOM 428 C THR A 528 -9.214 -11.082 2.150 1.00 53.12 C ATOM 429 O THR A 528 -9.129 -11.612 3.273 1.00 13.21 O ATOM 430 CB THR A 528 -7.018 -10.844 0.917 1.00 31.32 C ATOM 431 OG1 THR A 528 -7.563 -11.754 -0.044 1.00 62.03 O ATOM 432 CG2 THR A 528 -6.114 -11.588 1.878 1.00 54.32 C ATOM 0 H THR A 528 -6.589 -9.484 2.849 1.00 61.25 H new ATOM 0 HA THR A 528 -8.633 -9.393 0.980 1.00 11.24 H new ATOM 0 HB THR A 528 -6.419 -10.096 0.398 1.00 31.32 H new ATOM 0 HG1 THR A 528 -7.271 -12.666 0.167 1.00 62.03 H new ATOM 0 HG21 THR A 528 -5.334 -12.104 1.318 1.00 54.32 H new ATOM 0 HG22 THR A 528 -5.657 -10.880 2.569 1.00 54.32 H new ATOM 0 HG23 THR A 528 -6.700 -12.316 2.439 1.00 54.32 H new ATOM 440 N SER A 529 -10.212 -11.292 1.309 1.00 75.33 N ATOM 441 CA SER A 529 -11.279 -12.244 1.544 1.00 22.33 C ATOM 442 C SER A 529 -10.682 -13.660 1.648 1.00 31.23 C ATOM 443 O SER A 529 -11.123 -14.494 2.459 1.00 43.23 O ATOM 444 CB SER A 529 -12.281 -12.154 0.369 1.00 61.52 C ATOM 445 OG SER A 529 -13.413 -12.985 0.553 1.00 41.41 O ATOM 0 H SER A 529 -10.303 -10.793 0.424 1.00 75.33 H new ATOM 0 HA SER A 529 -11.798 -12.021 2.476 1.00 22.33 H new ATOM 0 HB2 SER A 529 -12.608 -11.121 0.254 1.00 61.52 H new ATOM 0 HB3 SER A 529 -11.776 -12.433 -0.556 1.00 61.52 H new ATOM 0 HG SER A 529 -14.016 -12.891 -0.214 1.00 41.41 H new ATOM 451 N GLY A 530 -9.657 -13.899 0.862 1.00 2.35 N ATOM 452 CA GLY A 530 -9.001 -15.162 0.869 1.00 62.11 C ATOM 453 C GLY A 530 -7.553 -15.000 1.230 1.00 54.35 C ATOM 454 O GLY A 530 -6.786 -14.386 0.480 1.00 3.32 O ATOM 0 H GLY A 530 -9.266 -13.221 0.208 1.00 2.35 H new ATOM 0 HA2 GLY A 530 -9.488 -15.827 1.582 1.00 62.11 H new ATOM 0 HA3 GLY A 530 -9.087 -15.629 -0.112 1.00 62.11 H new ATOM 458 N ALA A 531 -7.202 -15.458 2.395 1.00 51.10 N ATOM 459 CA ALA A 531 -5.840 -15.443 2.864 1.00 71.23 C ATOM 460 C ALA A 531 -5.475 -16.835 3.301 1.00 1.45 C ATOM 461 O ALA A 531 -6.040 -17.365 4.257 1.00 32.22 O ATOM 462 CB ALA A 531 -5.665 -14.467 4.026 1.00 51.55 C ATOM 0 H ALA A 531 -7.862 -15.860 3.061 1.00 51.10 H new ATOM 0 HA ALA A 531 -5.186 -15.113 2.057 1.00 71.23 H new ATOM 0 HB1 ALA A 531 -4.627 -14.479 4.358 1.00 51.55 H new ATOM 0 HB2 ALA A 531 -5.931 -13.461 3.700 1.00 51.55 H new ATOM 0 HB3 ALA A 531 -6.313 -14.764 4.851 1.00 51.55 H new ATOM 468 N ARG A 532 -4.586 -17.456 2.586 1.00 73.54 N ATOM 469 CA ARG A 532 -4.164 -18.787 2.911 1.00 14.13 C ATOM 470 C ARG A 532 -2.693 -18.832 3.212 1.00 1.40 C ATOM 471 O ARG A 532 -1.867 -18.736 2.318 1.00 73.13 O ATOM 472 CB ARG A 532 -4.531 -19.780 1.798 1.00 73.43 C ATOM 473 CG ARG A 532 -6.029 -19.974 1.612 1.00 30.22 C ATOM 474 CD ARG A 532 -6.664 -20.461 2.898 1.00 64.14 C ATOM 475 NE ARG A 532 -8.088 -20.758 2.758 1.00 3.44 N ATOM 476 CZ ARG A 532 -8.874 -21.186 3.755 1.00 52.14 C ATOM 477 NH1 ARG A 532 -8.355 -21.465 4.959 1.00 32.22 N ATOM 478 NH2 ARG A 532 -10.163 -21.373 3.539 1.00 14.41 N ATOM 0 H ARG A 532 -4.133 -17.057 1.764 1.00 73.54 H new ATOM 0 HA ARG A 532 -4.699 -19.089 3.811 1.00 14.13 H new ATOM 0 HB2 ARG A 532 -4.100 -19.433 0.859 1.00 73.43 H new ATOM 0 HB3 ARG A 532 -4.075 -20.745 2.021 1.00 73.43 H new ATOM 0 HG2 ARG A 532 -6.488 -19.034 1.306 1.00 30.22 H new ATOM 0 HG3 ARG A 532 -6.212 -20.693 0.814 1.00 30.22 H new ATOM 0 HD2 ARG A 532 -6.144 -21.357 3.236 1.00 64.14 H new ATOM 0 HD3 ARG A 532 -6.531 -19.704 3.671 1.00 64.14 H new ATOM 0 HE ARG A 532 -8.512 -20.631 1.839 1.00 3.44 H new ATOM 0 HH11 ARG A 532 -7.354 -21.352 5.122 1.00 32.22 H new ATOM 0 HH12 ARG A 532 -8.961 -21.790 5.712 1.00 32.22 H new ATOM 0 HH21 ARG A 532 -10.557 -21.192 2.616 1.00 14.41 H new ATOM 0 HH22 ARG A 532 -10.765 -21.699 4.295 1.00 14.41 H new ATOM 492 N GLY A 533 -2.379 -18.901 4.479 1.00 50.35 N ATOM 493 CA GLY A 533 -1.017 -19.047 4.890 1.00 3.03 C ATOM 494 C GLY A 533 -0.365 -17.726 5.177 1.00 14.01 C ATOM 495 O GLY A 533 -1.033 -16.759 5.535 1.00 61.43 O ATOM 0 H GLY A 533 -3.054 -18.858 5.243 1.00 50.35 H new ATOM 0 HA2 GLY A 533 -0.974 -19.673 5.782 1.00 3.03 H new ATOM 0 HA3 GLY A 533 -0.458 -19.564 4.110 1.00 3.03 H new ATOM 499 N ASN A 534 0.927 -17.685 5.036 1.00 41.32 N ATOM 500 CA ASN A 534 1.694 -16.477 5.267 1.00 0.05 C ATOM 501 C ASN A 534 2.096 -15.882 3.937 1.00 5.42 C ATOM 502 O ASN A 534 2.657 -16.565 3.097 1.00 71.13 O ATOM 503 CB ASN A 534 2.922 -16.790 6.135 1.00 61.23 C ATOM 504 CG ASN A 534 3.854 -15.607 6.406 1.00 22.31 C ATOM 505 OD1 ASN A 534 3.340 -14.402 6.439 1.00 4.34 O flip ATOM 506 ND2 ASN A 534 5.048 -15.797 6.599 1.00 71.50 N flip ATOM 0 H ASN A 534 1.490 -18.488 4.756 1.00 41.32 H new ATOM 0 HA ASN A 534 1.087 -15.748 5.804 1.00 0.05 H new ATOM 0 HB2 ASN A 534 2.579 -17.186 7.091 1.00 61.23 H new ATOM 0 HB3 ASN A 534 3.496 -17.579 5.650 1.00 61.23 H new ATOM 0 HD21 ASN A 534 5.425 -16.744 6.568 1.00 71.50 H new ATOM 0 HD22 ASN A 534 5.666 -15.008 6.791 1.00 71.50 H new ATOM 513 N VAL A 535 1.777 -14.635 3.744 1.00 73.21 N ATOM 514 CA VAL A 535 2.032 -13.937 2.514 1.00 35.25 C ATOM 515 C VAL A 535 2.922 -12.722 2.790 1.00 65.11 C ATOM 516 O VAL A 535 2.729 -12.013 3.783 1.00 25.52 O ATOM 517 CB VAL A 535 0.685 -13.487 1.866 1.00 43.24 C ATOM 518 CG1 VAL A 535 0.899 -12.788 0.540 1.00 3.43 C ATOM 519 CG2 VAL A 535 -0.227 -14.684 1.680 1.00 11.31 C ATOM 0 H VAL A 535 1.322 -14.060 4.453 1.00 73.21 H new ATOM 0 HA VAL A 535 2.545 -14.603 1.820 1.00 35.25 H new ATOM 0 HB VAL A 535 0.218 -12.772 2.543 1.00 43.24 H new ATOM 0 HG11 VAL A 535 -0.065 -12.492 0.125 1.00 3.43 H new ATOM 0 HG12 VAL A 535 1.516 -11.902 0.691 1.00 3.43 H new ATOM 0 HG13 VAL A 535 1.400 -13.465 -0.152 1.00 3.43 H new ATOM 0 HG21 VAL A 535 -1.164 -14.360 1.227 1.00 11.31 H new ATOM 0 HG22 VAL A 535 0.257 -15.413 1.030 1.00 11.31 H new ATOM 0 HG23 VAL A 535 -0.430 -15.140 2.649 1.00 11.31 H new ATOM 529 N ILE A 536 3.902 -12.517 1.947 1.00 14.43 N ATOM 530 CA ILE A 536 4.806 -11.389 2.069 1.00 33.32 C ATOM 531 C ILE A 536 4.426 -10.305 1.080 1.00 14.23 C ATOM 532 O ILE A 536 4.230 -10.583 -0.107 1.00 0.30 O ATOM 533 CB ILE A 536 6.306 -11.806 1.865 1.00 45.44 C ATOM 534 CG1 ILE A 536 6.849 -12.575 3.080 1.00 3.23 C ATOM 535 CG2 ILE A 536 7.190 -10.612 1.541 1.00 5.42 C ATOM 536 CD1 ILE A 536 6.873 -11.787 4.381 1.00 64.14 C ATOM 0 H ILE A 536 4.101 -13.126 1.153 1.00 14.43 H new ATOM 0 HA ILE A 536 4.711 -11.005 3.084 1.00 33.32 H new ATOM 0 HB ILE A 536 6.331 -12.475 1.005 1.00 45.44 H new ATOM 0 HG12 ILE A 536 6.243 -13.469 3.225 1.00 3.23 H new ATOM 0 HG13 ILE A 536 7.862 -12.909 2.856 1.00 3.23 H new ATOM 0 HG21 ILE A 536 8.219 -10.946 1.408 1.00 5.42 H new ATOM 0 HG22 ILE A 536 6.841 -10.139 0.623 1.00 5.42 H new ATOM 0 HG23 ILE A 536 7.145 -9.893 2.359 1.00 5.42 H new ATOM 0 HD11 ILE A 536 7.272 -12.414 5.179 1.00 64.14 H new ATOM 0 HD12 ILE A 536 7.504 -10.907 4.261 1.00 64.14 H new ATOM 0 HD13 ILE A 536 5.860 -11.475 4.636 1.00 64.14 H new ATOM 548 N VAL A 537 4.294 -9.093 1.577 1.00 75.55 N ATOM 549 CA VAL A 537 3.995 -7.942 0.750 1.00 44.34 C ATOM 550 C VAL A 537 5.146 -6.935 0.869 1.00 32.44 C ATOM 551 O VAL A 537 5.339 -6.340 1.930 1.00 65.20 O ATOM 552 CB VAL A 537 2.676 -7.240 1.185 1.00 55.02 C ATOM 553 CG1 VAL A 537 2.315 -6.109 0.220 1.00 62.04 C ATOM 554 CG2 VAL A 537 1.529 -8.241 1.310 1.00 74.53 C ATOM 0 H VAL A 537 4.391 -8.877 2.569 1.00 75.55 H new ATOM 0 HA VAL A 537 3.874 -8.288 -0.276 1.00 44.34 H new ATOM 0 HB VAL A 537 2.842 -6.803 2.170 1.00 55.02 H new ATOM 0 HG11 VAL A 537 1.389 -5.634 0.546 1.00 62.04 H new ATOM 0 HG12 VAL A 537 3.117 -5.371 0.208 1.00 62.04 H new ATOM 0 HG13 VAL A 537 2.181 -6.515 -0.783 1.00 62.04 H new ATOM 0 HG21 VAL A 537 0.622 -7.719 1.615 1.00 74.53 H new ATOM 0 HG22 VAL A 537 1.362 -8.725 0.348 1.00 74.53 H new ATOM 0 HG23 VAL A 537 1.783 -8.994 2.056 1.00 74.53 H new ATOM 564 N PRO A 538 5.956 -6.769 -0.182 1.00 63.12 N ATOM 565 CA PRO A 538 7.063 -5.806 -0.167 1.00 50.24 C ATOM 566 C PRO A 538 6.544 -4.363 -0.245 1.00 11.43 C ATOM 567 O PRO A 538 5.556 -4.100 -0.923 1.00 24.21 O ATOM 568 CB PRO A 538 7.867 -6.167 -1.424 1.00 25.42 C ATOM 569 CG PRO A 538 6.887 -6.825 -2.339 1.00 50.23 C ATOM 570 CD PRO A 538 5.852 -7.488 -1.466 1.00 1.42 C ATOM 0 HA PRO A 538 7.654 -5.856 0.747 1.00 50.24 H new ATOM 0 HB2 PRO A 538 8.300 -5.278 -1.884 1.00 25.42 H new ATOM 0 HB3 PRO A 538 8.693 -6.836 -1.184 1.00 25.42 H new ATOM 0 HG2 PRO A 538 6.423 -6.093 -3.000 1.00 50.23 H new ATOM 0 HG3 PRO A 538 7.384 -7.558 -2.974 1.00 50.23 H new ATOM 0 HD2 PRO A 538 4.853 -7.400 -1.893 1.00 1.42 H new ATOM 0 HD3 PRO A 538 6.054 -8.552 -1.345 1.00 1.42 H new ATOM 578 N TYR A 539 7.183 -3.451 0.452 1.00 12.25 N ATOM 579 CA TYR A 539 6.760 -2.065 0.452 1.00 50.40 C ATOM 580 C TYR A 539 7.949 -1.164 0.714 1.00 40.43 C ATOM 581 O TYR A 539 8.940 -1.591 1.334 1.00 21.00 O ATOM 582 CB TYR A 539 5.692 -1.822 1.539 1.00 42.12 C ATOM 583 CG TYR A 539 6.208 -1.883 2.964 1.00 22.44 C ATOM 584 CD1 TYR A 539 6.375 -3.090 3.607 1.00 15.31 C ATOM 585 CD2 TYR A 539 6.528 -0.719 3.661 1.00 34.23 C ATOM 586 CE1 TYR A 539 6.846 -3.149 4.896 1.00 13.02 C ATOM 587 CE2 TYR A 539 6.999 -0.772 4.951 1.00 34.15 C ATOM 588 CZ TYR A 539 7.156 -1.993 5.565 1.00 21.35 C ATOM 589 OH TYR A 539 7.631 -2.057 6.854 1.00 34.24 O ATOM 0 H TYR A 539 8.002 -3.643 1.029 1.00 12.25 H new ATOM 0 HA TYR A 539 6.332 -1.838 -0.524 1.00 50.40 H new ATOM 0 HB2 TYR A 539 5.241 -0.844 1.373 1.00 42.12 H new ATOM 0 HB3 TYR A 539 4.900 -2.562 1.422 1.00 42.12 H new ATOM 0 HD1 TYR A 539 6.131 -4.006 3.089 1.00 15.31 H new ATOM 0 HD2 TYR A 539 6.404 0.240 3.180 1.00 34.23 H new ATOM 0 HE1 TYR A 539 6.972 -4.105 5.382 1.00 13.02 H new ATOM 0 HE2 TYR A 539 7.244 0.138 5.479 1.00 34.15 H new ATOM 0 HH TYR A 539 8.240 -1.307 7.016 1.00 34.24 H new ATOM 599 N LYS A 540 7.854 0.059 0.270 1.00 73.11 N ATOM 600 CA LYS A 540 8.879 1.030 0.518 1.00 32.20 C ATOM 601 C LYS A 540 8.289 2.417 0.503 1.00 73.42 C ATOM 602 O LYS A 540 7.227 2.649 -0.100 1.00 11.32 O ATOM 603 CB LYS A 540 10.018 0.931 -0.501 1.00 54.35 C ATOM 604 CG LYS A 540 9.619 1.234 -1.929 1.00 43.31 C ATOM 605 CD LYS A 540 10.815 1.151 -2.837 1.00 24.40 C ATOM 606 CE LYS A 540 10.448 1.517 -4.259 1.00 14.44 C ATOM 607 NZ LYS A 540 11.586 1.341 -5.188 1.00 51.34 N ATOM 0 H LYS A 540 7.064 0.408 -0.273 1.00 73.11 H new ATOM 0 HA LYS A 540 9.300 0.823 1.502 1.00 32.20 H new ATOM 0 HB2 LYS A 540 10.811 1.618 -0.206 1.00 54.35 H new ATOM 0 HB3 LYS A 540 10.436 -0.075 -0.461 1.00 54.35 H new ATOM 0 HG2 LYS A 540 8.856 0.529 -2.257 1.00 43.31 H new ATOM 0 HG3 LYS A 540 9.179 2.230 -1.987 1.00 43.31 H new ATOM 0 HD2 LYS A 540 11.596 1.820 -2.476 1.00 24.40 H new ATOM 0 HD3 LYS A 540 11.224 0.141 -2.813 1.00 24.40 H new ATOM 0 HE2 LYS A 540 9.612 0.899 -4.588 1.00 14.44 H new ATOM 0 HE3 LYS A 540 10.111 2.553 -4.291 1.00 14.44 H new ATOM 0 HZ1 LYS A 540 11.292 1.603 -6.151 1.00 51.34 H new ATOM 0 HZ2 LYS A 540 12.375 1.949 -4.890 1.00 51.34 H new ATOM 0 HZ3 LYS A 540 11.892 0.347 -5.178 1.00 51.34 H new ATOM 621 N THR A 541 8.938 3.309 1.183 1.00 31.34 N ATOM 622 CA THR A 541 8.563 4.684 1.206 1.00 1.55 C ATOM 623 C THR A 541 9.348 5.438 0.136 1.00 4.42 C ATOM 624 O THR A 541 10.575 5.577 0.247 1.00 2.22 O ATOM 625 CB THR A 541 8.890 5.290 2.581 1.00 11.11 C ATOM 626 OG1 THR A 541 10.212 4.901 2.948 1.00 15.50 O ATOM 627 CG2 THR A 541 7.930 4.835 3.658 1.00 22.54 C ATOM 0 H THR A 541 9.760 3.095 1.748 1.00 31.34 H new ATOM 0 HA THR A 541 7.493 4.767 1.015 1.00 1.55 H new ATOM 0 HB THR A 541 8.801 6.373 2.497 1.00 11.11 H new ATOM 0 HG1 THR A 541 10.812 5.017 2.182 1.00 15.50 H new ATOM 0 HG21 THR A 541 8.206 5.292 4.608 1.00 22.54 H new ATOM 0 HG22 THR A 541 6.916 5.135 3.392 1.00 22.54 H new ATOM 0 HG23 THR A 541 7.975 3.750 3.751 1.00 22.54 H new ATOM 635 N ILE A 542 8.676 5.870 -0.898 1.00 35.13 N ATOM 636 CA ILE A 542 9.303 6.654 -1.941 1.00 54.03 C ATOM 637 C ILE A 542 9.435 8.048 -1.380 1.00 3.54 C ATOM 638 O ILE A 542 8.427 8.658 -1.039 1.00 25.32 O ATOM 639 CB ILE A 542 8.473 6.712 -3.281 1.00 65.42 C ATOM 640 CG1 ILE A 542 8.272 5.326 -3.936 1.00 61.11 C ATOM 641 CG2 ILE A 542 9.106 7.667 -4.285 1.00 13.30 C ATOM 642 CD1 ILE A 542 7.251 4.443 -3.261 1.00 52.41 C ATOM 0 H ILE A 542 7.683 5.692 -1.045 1.00 35.13 H new ATOM 0 HA ILE A 542 10.256 6.196 -2.206 1.00 54.03 H new ATOM 0 HB ILE A 542 7.488 7.084 -2.998 1.00 65.42 H new ATOM 0 HG12 ILE A 542 7.974 5.471 -4.974 1.00 61.11 H new ATOM 0 HG13 ILE A 542 9.229 4.805 -3.949 1.00 61.11 H new ATOM 0 HG21 ILE A 542 8.510 7.684 -5.197 1.00 13.30 H new ATOM 0 HG22 ILE A 542 9.145 8.669 -3.859 1.00 13.30 H new ATOM 0 HG23 ILE A 542 10.117 7.332 -4.518 1.00 13.30 H new ATOM 0 HD11 ILE A 542 7.182 3.494 -3.793 1.00 52.41 H new ATOM 0 HD12 ILE A 542 7.553 4.260 -2.230 1.00 52.41 H new ATOM 0 HD13 ILE A 542 6.279 4.937 -3.272 1.00 52.41 H new ATOM 654 N GLU A 543 10.662 8.520 -1.270 1.00 4.32 N ATOM 655 CA GLU A 543 10.991 9.790 -0.616 1.00 74.32 C ATOM 656 C GLU A 543 10.226 10.986 -1.183 1.00 33.12 C ATOM 657 O GLU A 543 9.842 11.896 -0.434 1.00 74.45 O ATOM 658 CB GLU A 543 12.497 10.016 -0.656 1.00 73.21 C ATOM 659 CG GLU A 543 13.282 8.923 0.060 1.00 33.15 C ATOM 660 CD GLU A 543 14.769 9.116 -0.023 1.00 22.11 C ATOM 661 OE1 GLU A 543 15.313 9.944 0.747 1.00 54.31 O ATOM 662 OE2 GLU A 543 15.426 8.471 -0.868 1.00 73.11 O ATOM 0 H GLU A 543 11.478 8.030 -1.636 1.00 4.32 H new ATOM 0 HA GLU A 543 10.666 9.711 0.422 1.00 74.32 H new ATOM 0 HB2 GLU A 543 12.823 10.069 -1.695 1.00 73.21 H new ATOM 0 HB3 GLU A 543 12.727 10.979 -0.200 1.00 73.21 H new ATOM 0 HG2 GLU A 543 12.983 8.896 1.108 1.00 33.15 H new ATOM 0 HG3 GLU A 543 13.022 7.956 -0.371 1.00 33.15 H new ATOM 669 N GLY A 544 10.010 10.980 -2.478 1.00 35.24 N ATOM 670 CA GLY A 544 9.249 12.025 -3.119 1.00 30.44 C ATOM 671 C GLY A 544 9.997 13.330 -3.128 1.00 50.35 C ATOM 672 O GLY A 544 10.857 13.554 -3.973 1.00 65.33 O ATOM 0 H GLY A 544 10.353 10.258 -3.111 1.00 35.24 H new ATOM 0 HA2 GLY A 544 9.017 11.731 -4.143 1.00 30.44 H new ATOM 0 HA3 GLY A 544 8.299 12.153 -2.601 1.00 30.44 H new ATOM 676 N THR A 545 9.684 14.177 -2.185 1.00 33.25 N ATOM 677 CA THR A 545 10.363 15.437 -2.053 1.00 0.43 C ATOM 678 C THR A 545 10.986 15.572 -0.648 1.00 53.12 C ATOM 679 O THR A 545 11.660 16.564 -0.331 1.00 1.23 O ATOM 680 CB THR A 545 9.434 16.645 -2.405 1.00 2.13 C ATOM 681 OG1 THR A 545 10.117 17.897 -2.229 1.00 3.23 O ATOM 682 CG2 THR A 545 8.164 16.633 -1.575 1.00 44.50 C ATOM 0 H THR A 545 8.955 14.014 -1.490 1.00 33.25 H new ATOM 0 HA THR A 545 11.175 15.457 -2.780 1.00 0.43 H new ATOM 0 HB THR A 545 9.161 16.538 -3.455 1.00 2.13 H new ATOM 0 HG1 THR A 545 10.761 17.818 -1.494 1.00 3.23 H new ATOM 0 HG21 THR A 545 7.543 17.487 -1.847 1.00 44.50 H new ATOM 0 HG22 THR A 545 7.615 15.711 -1.764 1.00 44.50 H new ATOM 0 HG23 THR A 545 8.420 16.693 -0.517 1.00 44.50 H new ATOM 690 N ALA A 546 10.799 14.558 0.171 1.00 12.32 N ATOM 691 CA ALA A 546 11.383 14.538 1.488 1.00 40.33 C ATOM 692 C ALA A 546 12.645 13.684 1.420 1.00 44.23 C ATOM 693 O ALA A 546 13.083 13.329 0.316 1.00 22.33 O ATOM 694 CB ALA A 546 10.383 13.997 2.497 1.00 32.42 C ATOM 0 H ALA A 546 10.243 13.734 -0.058 1.00 12.32 H new ATOM 0 HA ALA A 546 11.646 15.543 1.817 1.00 40.33 H new ATOM 0 HB1 ALA A 546 10.836 13.987 3.488 1.00 32.42 H new ATOM 0 HB2 ALA A 546 9.498 14.633 2.509 1.00 32.42 H new ATOM 0 HB3 ALA A 546 10.097 12.983 2.218 1.00 32.42 H new ATOM 700 N ARG A 547 13.239 13.363 2.540 1.00 50.43 N ATOM 701 CA ARG A 547 14.448 12.581 2.531 1.00 32.54 C ATOM 702 C ARG A 547 14.360 11.547 3.652 1.00 35.11 C ATOM 703 O ARG A 547 14.015 11.886 4.791 1.00 11.13 O ATOM 704 CB ARG A 547 15.673 13.522 2.723 1.00 65.12 C ATOM 705 CG ARG A 547 17.031 13.006 2.198 1.00 54.00 C ATOM 706 CD ARG A 547 17.421 11.688 2.798 1.00 60.43 C ATOM 707 NE ARG A 547 18.727 11.191 2.350 1.00 54.03 N ATOM 708 CZ ARG A 547 18.911 10.000 1.746 1.00 12.14 C ATOM 709 NH1 ARG A 547 17.885 9.366 1.194 1.00 12.15 N ATOM 710 NH2 ARG A 547 20.133 9.491 1.620 1.00 34.22 N ATOM 0 H ARG A 547 12.907 13.630 3.467 1.00 50.43 H new ATOM 0 HA ARG A 547 14.569 12.062 1.580 1.00 32.54 H new ATOM 0 HB2 ARG A 547 15.455 14.470 2.230 1.00 65.12 H new ATOM 0 HB3 ARG A 547 15.777 13.733 3.787 1.00 65.12 H new ATOM 0 HG2 ARG A 547 16.983 12.907 1.114 1.00 54.00 H new ATOM 0 HG3 ARG A 547 17.804 13.743 2.416 1.00 54.00 H new ATOM 0 HD2 ARG A 547 17.433 11.784 3.884 1.00 60.43 H new ATOM 0 HD3 ARG A 547 16.659 10.949 2.552 1.00 60.43 H new ATOM 0 HE ARG A 547 19.544 11.782 2.505 1.00 54.03 H new ATOM 0 HH11 ARG A 547 16.953 9.780 1.226 1.00 12.15 H new ATOM 0 HH12 ARG A 547 18.028 8.465 0.738 1.00 12.15 H new ATOM 0 HH21 ARG A 547 20.938 10.002 1.981 1.00 34.22 H new ATOM 0 HH22 ARG A 547 20.265 8.589 1.162 1.00 34.22 H new ATOM 724 N GLY A 548 14.633 10.297 3.315 1.00 2.45 N ATOM 725 CA GLY A 548 14.648 9.230 4.288 1.00 72.54 C ATOM 726 C GLY A 548 15.918 9.261 5.124 1.00 43.12 C ATOM 727 O GLY A 548 16.432 10.327 5.428 1.00 41.42 O ATOM 0 H GLY A 548 14.849 10.000 2.363 1.00 2.45 H new ATOM 0 HA2 GLY A 548 13.779 9.318 4.940 1.00 72.54 H new ATOM 0 HA3 GLY A 548 14.569 8.270 3.779 1.00 72.54 H new ATOM 731 N GLY A 549 16.405 8.105 5.515 1.00 51.14 N ATOM 732 CA GLY A 549 17.638 8.012 6.298 1.00 53.23 C ATOM 733 C GLY A 549 17.530 8.649 7.669 1.00 15.10 C ATOM 734 O GLY A 549 18.541 8.904 8.323 1.00 45.14 O ATOM 0 H GLY A 549 15.971 7.206 5.307 1.00 51.14 H new ATOM 0 HA2 GLY A 549 17.908 6.962 6.414 1.00 53.23 H new ATOM 0 HA3 GLY A 549 18.447 8.490 5.746 1.00 53.23 H new ATOM 738 N GLY A 550 16.306 8.904 8.106 1.00 63.41 N ATOM 739 CA GLY A 550 16.088 9.541 9.369 1.00 74.11 C ATOM 740 C GLY A 550 16.338 11.033 9.307 1.00 1.20 C ATOM 741 O GLY A 550 16.536 11.666 10.339 1.00 40.34 O ATOM 0 H GLY A 550 15.455 8.674 7.593 1.00 63.41 H new ATOM 0 HA2 GLY A 550 15.064 9.359 9.694 1.00 74.11 H new ATOM 0 HA3 GLY A 550 16.744 9.095 10.117 1.00 74.11 H new ATOM 745 N GLU A 551 16.334 11.591 8.102 1.00 15.51 N ATOM 746 CA GLU A 551 16.540 13.019 7.929 1.00 60.54 C ATOM 747 C GLU A 551 15.228 13.743 8.112 1.00 34.35 C ATOM 748 O GLU A 551 15.003 14.415 9.116 1.00 64.41 O ATOM 749 CB GLU A 551 17.065 13.331 6.525 1.00 13.43 C ATOM 750 CG GLU A 551 18.376 12.684 6.169 1.00 44.24 C ATOM 751 CD GLU A 551 19.513 13.132 7.040 1.00 63.24 C ATOM 752 OE1 GLU A 551 20.084 14.208 6.782 1.00 65.31 O ATOM 753 OE2 GLU A 551 19.895 12.402 7.963 1.00 35.50 O ATOM 0 H GLU A 551 16.190 11.075 7.234 1.00 15.51 H new ATOM 0 HA GLU A 551 17.270 13.346 8.669 1.00 60.54 H new ATOM 0 HB2 GLU A 551 16.316 13.019 5.797 1.00 13.43 H new ATOM 0 HB3 GLU A 551 17.174 14.411 6.428 1.00 13.43 H new ATOM 0 HG2 GLU A 551 18.272 11.602 6.246 1.00 44.24 H new ATOM 0 HG3 GLU A 551 18.614 12.908 5.129 1.00 44.24 H new ATOM 760 N ASP A 552 14.354 13.564 7.151 1.00 65.32 N ATOM 761 CA ASP A 552 13.062 14.218 7.166 1.00 34.03 C ATOM 762 C ASP A 552 12.054 13.208 7.642 1.00 11.34 C ATOM 763 O ASP A 552 11.151 13.504 8.422 1.00 23.02 O ATOM 764 CB ASP A 552 12.712 14.707 5.758 1.00 72.52 C ATOM 765 CG ASP A 552 11.622 15.749 5.737 1.00 22.43 C ATOM 766 OD1 ASP A 552 10.442 15.412 5.662 1.00 35.10 O ATOM 767 OD2 ASP A 552 11.958 16.968 5.767 1.00 63.13 O ATOM 0 H ASP A 552 14.514 12.966 6.340 1.00 65.32 H new ATOM 0 HA ASP A 552 13.069 15.084 7.827 1.00 34.03 H new ATOM 0 HB2 ASP A 552 13.607 15.119 5.292 1.00 72.52 H new ATOM 0 HB3 ASP A 552 12.401 13.855 5.153 1.00 72.52 H new ATOM 772 N PHE A 553 12.235 11.992 7.190 1.00 23.22 N ATOM 773 CA PHE A 553 11.449 10.894 7.642 1.00 65.43 C ATOM 774 C PHE A 553 12.336 9.667 7.687 1.00 43.31 C ATOM 775 O PHE A 553 13.459 9.678 7.154 1.00 2.11 O ATOM 776 CB PHE A 553 10.210 10.655 6.760 1.00 33.41 C ATOM 777 CG PHE A 553 10.468 10.048 5.408 1.00 25.51 C ATOM 778 CD1 PHE A 553 10.930 10.809 4.356 1.00 65.21 C ATOM 779 CD2 PHE A 553 10.221 8.708 5.200 1.00 72.34 C ATOM 780 CE1 PHE A 553 11.143 10.238 3.117 1.00 4.23 C ATOM 781 CE2 PHE A 553 10.429 8.135 3.970 1.00 12.31 C ATOM 782 CZ PHE A 553 10.891 8.896 2.928 1.00 51.00 C ATOM 0 H PHE A 553 12.939 11.745 6.494 1.00 23.22 H new ATOM 0 HA PHE A 553 11.064 11.119 8.637 1.00 65.43 H new ATOM 0 HB2 PHE A 553 9.523 10.006 7.302 1.00 33.41 H new ATOM 0 HB3 PHE A 553 9.702 11.608 6.617 1.00 33.41 H new ATOM 0 HD1 PHE A 553 11.127 11.861 4.502 1.00 65.21 H new ATOM 0 HD2 PHE A 553 9.859 8.100 6.016 1.00 72.34 H new ATOM 0 HE1 PHE A 553 11.506 10.841 2.298 1.00 4.23 H new ATOM 0 HE2 PHE A 553 10.228 7.084 3.823 1.00 12.31 H new ATOM 0 HZ PHE A 553 11.057 8.445 1.961 1.00 51.00 H new ATOM 792 N GLU A 554 11.875 8.653 8.324 1.00 42.11 N ATOM 793 CA GLU A 554 12.596 7.426 8.432 1.00 33.22 C ATOM 794 C GLU A 554 12.023 6.495 7.370 1.00 12.20 C ATOM 795 O GLU A 554 10.869 6.084 7.456 1.00 53.23 O ATOM 796 CB GLU A 554 12.389 6.908 9.856 1.00 21.51 C ATOM 797 CG GLU A 554 13.355 5.854 10.374 1.00 52.42 C ATOM 798 CD GLU A 554 13.183 4.469 9.807 1.00 64.42 C ATOM 799 OE1 GLU A 554 13.824 4.141 8.804 1.00 31.23 O ATOM 800 OE2 GLU A 554 12.442 3.655 10.418 1.00 31.24 O ATOM 0 H GLU A 554 10.970 8.647 8.795 1.00 42.11 H new ATOM 0 HA GLU A 554 13.669 7.521 8.265 1.00 33.22 H new ATOM 0 HB2 GLU A 554 12.430 7.762 10.532 1.00 21.51 H new ATOM 0 HB3 GLU A 554 11.381 6.499 9.920 1.00 21.51 H new ATOM 0 HG2 GLU A 554 14.372 6.187 10.166 1.00 52.42 H new ATOM 0 HG3 GLU A 554 13.254 5.797 11.458 1.00 52.42 H new ATOM 807 N ASP A 555 12.803 6.240 6.340 1.00 4.43 N ATOM 808 CA ASP A 555 12.340 5.454 5.212 1.00 22.42 C ATOM 809 C ASP A 555 12.298 3.994 5.554 1.00 50.32 C ATOM 810 O ASP A 555 13.299 3.392 5.947 1.00 41.14 O ATOM 811 CB ASP A 555 13.162 5.705 3.922 1.00 62.42 C ATOM 812 CG ASP A 555 14.585 5.207 3.976 1.00 15.30 C ATOM 813 OD1 ASP A 555 15.382 5.743 4.774 1.00 71.42 O ATOM 814 OD2 ASP A 555 14.950 4.302 3.182 1.00 53.12 O ATOM 0 H ASP A 555 13.766 6.567 6.259 1.00 4.43 H new ATOM 0 HA ASP A 555 11.325 5.787 4.998 1.00 22.42 H new ATOM 0 HB2 ASP A 555 12.655 5.225 3.085 1.00 62.42 H new ATOM 0 HB3 ASP A 555 13.173 6.775 3.717 1.00 62.42 H new ATOM 819 N THR A 556 11.153 3.431 5.412 1.00 3.24 N ATOM 820 CA THR A 556 10.954 2.077 5.746 1.00 32.21 C ATOM 821 C THR A 556 10.715 1.261 4.485 1.00 5.41 C ATOM 822 O THR A 556 9.722 1.442 3.760 1.00 44.31 O ATOM 823 CB THR A 556 9.829 1.899 6.822 1.00 12.42 C ATOM 824 OG1 THR A 556 9.597 0.518 7.149 1.00 0.32 O ATOM 825 CG2 THR A 556 8.527 2.562 6.411 1.00 4.15 C ATOM 0 H THR A 556 10.323 3.906 5.057 1.00 3.24 H new ATOM 0 HA THR A 556 11.860 1.693 6.215 1.00 32.21 H new ATOM 0 HB THR A 556 10.198 2.401 7.716 1.00 12.42 H new ATOM 0 HG1 THR A 556 8.889 0.456 7.824 1.00 0.32 H new ATOM 0 HG21 THR A 556 7.780 2.410 7.190 1.00 4.15 H new ATOM 0 HG22 THR A 556 8.692 3.630 6.269 1.00 4.15 H new ATOM 0 HG23 THR A 556 8.173 2.122 5.478 1.00 4.15 H new ATOM 833 N CYS A 557 11.650 0.422 4.201 1.00 51.41 N ATOM 834 CA CYS A 557 11.600 -0.429 3.065 1.00 31.53 C ATOM 835 C CYS A 557 11.795 -1.844 3.514 1.00 0.32 C ATOM 836 O CYS A 557 12.834 -2.198 4.084 1.00 25.05 O ATOM 837 CB CYS A 557 12.642 0.003 2.039 1.00 62.44 C ATOM 838 SG CYS A 557 14.280 0.350 2.731 1.00 52.24 S ATOM 0 H CYS A 557 12.491 0.306 4.767 1.00 51.41 H new ATOM 0 HA CYS A 557 10.628 -0.357 2.576 1.00 31.53 H new ATOM 0 HB2 CYS A 557 12.738 -0.779 1.286 1.00 62.44 H new ATOM 0 HB3 CYS A 557 12.281 0.895 1.527 1.00 62.44 H new ATOM 0 HG CYS A 557 15.088 0.705 1.777 1.00 52.24 H new ATOM 844 N GLY A 558 10.800 -2.643 3.312 1.00 74.31 N ATOM 845 CA GLY A 558 10.858 -3.968 3.769 1.00 40.14 C ATOM 846 C GLY A 558 9.729 -4.755 3.246 1.00 12.43 C ATOM 847 O GLY A 558 9.132 -4.398 2.221 1.00 62.23 O ATOM 0 H GLY A 558 9.938 -2.388 2.830 1.00 74.31 H new ATOM 0 HA2 GLY A 558 11.798 -4.423 3.458 1.00 40.14 H new ATOM 0 HA3 GLY A 558 10.842 -3.982 4.859 1.00 40.14 H new ATOM 851 N GLU A 559 9.405 -5.790 3.933 1.00 71.44 N ATOM 852 CA GLU A 559 8.385 -6.691 3.518 1.00 55.11 C ATOM 853 C GLU A 559 7.446 -7.003 4.681 1.00 74.24 C ATOM 854 O GLU A 559 7.898 -7.364 5.778 1.00 51.12 O ATOM 855 CB GLU A 559 9.054 -7.944 2.966 1.00 44.20 C ATOM 856 CG GLU A 559 9.807 -7.704 1.659 1.00 13.33 C ATOM 857 CD GLU A 559 10.600 -8.885 1.183 1.00 50.22 C ATOM 858 OE1 GLU A 559 11.660 -9.193 1.775 1.00 20.11 O ATOM 859 OE2 GLU A 559 10.214 -9.509 0.199 1.00 63.14 O ATOM 0 H GLU A 559 9.848 -6.042 4.817 1.00 71.44 H new ATOM 0 HA GLU A 559 7.772 -6.245 2.735 1.00 55.11 H new ATOM 0 HB2 GLU A 559 9.748 -8.334 3.710 1.00 44.20 H new ATOM 0 HB3 GLU A 559 8.296 -8.710 2.805 1.00 44.20 H new ATOM 0 HG2 GLU A 559 9.091 -7.425 0.886 1.00 13.33 H new ATOM 0 HG3 GLU A 559 10.480 -6.857 1.790 1.00 13.33 H new ATOM 866 N LEU A 560 6.161 -6.807 4.457 1.00 43.04 N ATOM 867 CA LEU A 560 5.139 -7.055 5.456 1.00 21.41 C ATOM 868 C LEU A 560 4.771 -8.509 5.495 1.00 24.20 C ATOM 869 O LEU A 560 4.588 -9.146 4.451 1.00 42.02 O ATOM 870 CB LEU A 560 3.867 -6.237 5.197 1.00 65.41 C ATOM 871 CG LEU A 560 3.932 -4.735 5.457 1.00 41.13 C ATOM 872 CD1 LEU A 560 2.639 -4.082 5.035 1.00 13.24 C ATOM 873 CD2 LEU A 560 4.195 -4.448 6.929 1.00 62.34 C ATOM 0 H LEU A 560 5.793 -6.468 3.568 1.00 43.04 H new ATOM 0 HA LEU A 560 5.564 -6.750 6.412 1.00 21.41 H new ATOM 0 HB2 LEU A 560 3.577 -6.386 4.157 1.00 65.41 H new ATOM 0 HB3 LEU A 560 3.069 -6.651 5.813 1.00 65.41 H new ATOM 0 HG LEU A 560 4.755 -4.324 4.872 1.00 41.13 H new ATOM 0 HD11 LEU A 560 2.694 -3.010 5.224 1.00 13.24 H new ATOM 0 HD12 LEU A 560 2.474 -4.255 3.971 1.00 13.24 H new ATOM 0 HD13 LEU A 560 1.813 -4.509 5.604 1.00 13.24 H new ATOM 0 HD21 LEU A 560 4.237 -3.370 7.088 1.00 62.34 H new ATOM 0 HD22 LEU A 560 3.392 -4.873 7.532 1.00 62.34 H new ATOM 0 HD23 LEU A 560 5.145 -4.895 7.223 1.00 62.34 H new ATOM 885 N GLU A 561 4.652 -9.014 6.682 1.00 60.24 N ATOM 886 CA GLU A 561 4.274 -10.372 6.915 1.00 1.34 C ATOM 887 C GLU A 561 2.775 -10.423 7.230 1.00 72.35 C ATOM 888 O GLU A 561 2.347 -10.061 8.324 1.00 54.42 O ATOM 889 CB GLU A 561 5.102 -10.916 8.077 1.00 63.52 C ATOM 890 CG GLU A 561 4.878 -12.370 8.399 1.00 42.22 C ATOM 891 CD GLU A 561 5.743 -12.833 9.531 1.00 55.33 C ATOM 892 OE1 GLU A 561 5.364 -12.649 10.710 1.00 51.34 O ATOM 893 OE2 GLU A 561 6.836 -13.357 9.265 1.00 75.33 O ATOM 0 H GLU A 561 4.819 -8.481 7.536 1.00 60.24 H new ATOM 0 HA GLU A 561 4.462 -10.987 6.035 1.00 1.34 H new ATOM 0 HB2 GLU A 561 6.158 -10.769 7.850 1.00 63.52 H new ATOM 0 HB3 GLU A 561 4.882 -10.325 8.966 1.00 63.52 H new ATOM 0 HG2 GLU A 561 3.830 -12.527 8.655 1.00 42.22 H new ATOM 0 HG3 GLU A 561 5.084 -12.973 7.515 1.00 42.22 H new ATOM 900 N PHE A 562 1.988 -10.816 6.268 1.00 53.32 N ATOM 901 CA PHE A 562 0.550 -10.887 6.443 1.00 53.14 C ATOM 902 C PHE A 562 0.183 -12.365 6.425 1.00 15.21 C ATOM 903 O PHE A 562 0.871 -13.155 5.785 1.00 71.53 O ATOM 904 CB PHE A 562 -0.118 -10.107 5.302 1.00 31.40 C ATOM 905 CG PHE A 562 -1.550 -9.660 5.523 1.00 34.32 C ATOM 906 CD1 PHE A 562 -2.104 -9.517 6.799 1.00 54.25 C ATOM 907 CD2 PHE A 562 -2.334 -9.338 4.434 1.00 64.40 C ATOM 908 CE1 PHE A 562 -3.392 -9.073 6.947 1.00 53.42 C ATOM 909 CE2 PHE A 562 -3.623 -8.884 4.593 1.00 30.20 C ATOM 910 CZ PHE A 562 -4.146 -8.752 5.851 1.00 64.30 C ATOM 0 H PHE A 562 2.315 -11.096 5.343 1.00 53.32 H new ATOM 0 HA PHE A 562 0.212 -10.445 7.380 1.00 53.14 H new ATOM 0 HB2 PHE A 562 0.486 -9.223 5.097 1.00 31.40 H new ATOM 0 HB3 PHE A 562 -0.091 -10.727 4.406 1.00 31.40 H new ATOM 0 HD1 PHE A 562 -1.514 -9.757 7.671 1.00 54.25 H new ATOM 0 HD2 PHE A 562 -1.928 -9.444 3.439 1.00 64.40 H new ATOM 0 HE1 PHE A 562 -3.815 -8.976 7.936 1.00 53.42 H new ATOM 0 HE2 PHE A 562 -4.220 -8.633 3.729 1.00 30.20 H new ATOM 0 HZ PHE A 562 -5.157 -8.393 5.979 1.00 64.30 H new ATOM 920 N GLN A 563 -0.831 -12.769 7.148 1.00 72.03 N ATOM 921 CA GLN A 563 -1.120 -14.199 7.272 1.00 2.14 C ATOM 922 C GLN A 563 -2.612 -14.455 7.267 1.00 63.32 C ATOM 923 O GLN A 563 -3.398 -13.524 7.182 1.00 73.31 O ATOM 924 CB GLN A 563 -0.523 -14.748 8.578 1.00 35.54 C ATOM 925 CG GLN A 563 0.964 -14.510 8.740 1.00 31.41 C ATOM 926 CD GLN A 563 1.509 -15.026 10.035 1.00 3.04 C ATOM 927 OE1 GLN A 563 1.531 -14.323 11.036 1.00 3.25 O ATOM 928 NE2 GLN A 563 1.963 -16.242 10.029 1.00 61.53 N ATOM 0 H GLN A 563 -1.466 -12.153 7.655 1.00 72.03 H new ATOM 0 HA GLN A 563 -0.671 -14.705 6.417 1.00 2.14 H new ATOM 0 HB2 GLN A 563 -1.044 -14.293 9.420 1.00 35.54 H new ATOM 0 HB3 GLN A 563 -0.714 -15.820 8.627 1.00 35.54 H new ATOM 0 HG2 GLN A 563 1.493 -14.987 7.915 1.00 31.41 H new ATOM 0 HG3 GLN A 563 1.163 -13.441 8.670 1.00 31.41 H new ATOM 0 HE21 GLN A 563 1.926 -16.796 9.173 1.00 61.53 H new ATOM 0 HE22 GLN A 563 2.356 -16.644 10.880 1.00 61.53 H new ATOM 937 N ASN A 564 -2.991 -15.730 7.357 1.00 61.30 N ATOM 938 CA ASN A 564 -4.388 -16.124 7.459 1.00 1.13 C ATOM 939 C ASN A 564 -4.870 -15.892 8.869 1.00 74.23 C ATOM 940 O ASN A 564 -5.990 -15.458 9.096 1.00 74.14 O ATOM 941 CB ASN A 564 -4.606 -17.603 7.066 1.00 72.14 C ATOM 942 CG ASN A 564 -3.947 -18.620 7.979 1.00 53.43 C ATOM 943 OD1 ASN A 564 -2.793 -18.980 7.782 1.00 44.52 O ATOM 944 ND2 ASN A 564 -4.684 -19.114 8.946 1.00 51.54 N ATOM 0 H ASN A 564 -2.337 -16.513 7.361 1.00 61.30 H new ATOM 0 HA ASN A 564 -4.960 -15.514 6.760 1.00 1.13 H new ATOM 0 HB2 ASN A 564 -5.678 -17.801 7.042 1.00 72.14 H new ATOM 0 HB3 ASN A 564 -4.231 -17.752 6.053 1.00 72.14 H new ATOM 0 HD21 ASN A 564 -4.300 -19.825 9.568 1.00 51.54 H new ATOM 0 HD22 ASN A 564 -5.641 -18.787 9.076 1.00 51.54 H new ATOM 951 N ASP A 565 -3.977 -16.116 9.820 1.00 52.12 N ATOM 952 CA ASP A 565 -4.272 -15.929 11.241 1.00 34.22 C ATOM 953 C ASP A 565 -4.079 -14.472 11.613 1.00 51.44 C ATOM 954 O ASP A 565 -4.151 -14.079 12.776 1.00 13.21 O ATOM 955 CB ASP A 565 -3.379 -16.814 12.126 1.00 74.41 C ATOM 956 CG ASP A 565 -3.658 -18.307 12.032 1.00 11.32 C ATOM 957 OD1 ASP A 565 -4.672 -18.776 12.593 1.00 73.23 O ATOM 958 OD2 ASP A 565 -2.850 -19.047 11.406 1.00 62.01 O ATOM 0 H ASP A 565 -3.026 -16.433 9.634 1.00 52.12 H new ATOM 0 HA ASP A 565 -5.308 -16.222 11.412 1.00 34.22 H new ATOM 0 HB2 ASP A 565 -2.338 -16.637 11.858 1.00 74.41 H new ATOM 0 HB3 ASP A 565 -3.498 -16.502 13.164 1.00 74.41 H new ATOM 963 N GLU A 566 -3.804 -13.682 10.620 1.00 24.45 N ATOM 964 CA GLU A 566 -3.573 -12.287 10.767 1.00 11.32 C ATOM 965 C GLU A 566 -4.577 -11.531 9.917 1.00 43.34 C ATOM 966 O GLU A 566 -5.000 -12.014 8.863 1.00 65.01 O ATOM 967 CB GLU A 566 -2.143 -11.962 10.305 1.00 70.33 C ATOM 968 CG GLU A 566 -1.783 -10.488 10.322 1.00 31.30 C ATOM 969 CD GLU A 566 -1.783 -9.901 11.700 1.00 14.40 C ATOM 970 OE1 GLU A 566 -2.854 -9.731 12.297 1.00 61.21 O ATOM 971 OE2 GLU A 566 -0.702 -9.606 12.212 1.00 42.32 O ATOM 0 H GLU A 566 -3.733 -14.007 9.656 1.00 24.45 H new ATOM 0 HA GLU A 566 -3.688 -11.993 11.810 1.00 11.32 H new ATOM 0 HB2 GLU A 566 -1.441 -12.500 10.942 1.00 70.33 H new ATOM 0 HB3 GLU A 566 -2.009 -12.342 9.292 1.00 70.33 H new ATOM 0 HG2 GLU A 566 -0.797 -10.355 9.877 1.00 31.30 H new ATOM 0 HG3 GLU A 566 -2.490 -9.940 9.700 1.00 31.30 H new ATOM 978 N ILE A 567 -4.982 -10.387 10.379 1.00 44.13 N ATOM 979 CA ILE A 567 -5.816 -9.515 9.613 1.00 71.32 C ATOM 980 C ILE A 567 -5.257 -8.150 9.763 1.00 2.23 C ATOM 981 O ILE A 567 -4.584 -7.876 10.767 1.00 63.13 O ATOM 982 CB ILE A 567 -7.298 -9.485 10.024 1.00 14.23 C ATOM 983 CG1 ILE A 567 -7.467 -8.907 11.422 1.00 34.12 C ATOM 984 CG2 ILE A 567 -7.881 -10.879 9.940 1.00 41.22 C ATOM 985 CD1 ILE A 567 -8.689 -8.051 11.554 1.00 11.23 C ATOM 0 H ILE A 567 -4.741 -10.031 11.304 1.00 44.13 H new ATOM 0 HA ILE A 567 -5.813 -9.889 8.589 1.00 71.32 H new ATOM 0 HB ILE A 567 -7.838 -8.836 9.335 1.00 14.23 H new ATOM 0 HG12 ILE A 567 -7.521 -9.723 12.143 1.00 34.12 H new ATOM 0 HG13 ILE A 567 -6.586 -8.316 11.675 1.00 34.12 H new ATOM 0 HG21 ILE A 567 -8.931 -10.853 10.232 1.00 41.22 H new ATOM 0 HG22 ILE A 567 -7.798 -11.247 8.917 1.00 41.22 H new ATOM 0 HG23 ILE A 567 -7.335 -11.543 10.610 1.00 41.22 H new ATOM 0 HD11 ILE A 567 -8.756 -7.667 12.572 1.00 11.23 H new ATOM 0 HD12 ILE A 567 -8.626 -7.217 10.855 1.00 11.23 H new ATOM 0 HD13 ILE A 567 -9.575 -8.645 11.331 1.00 11.23 H new ATOM 997 N VAL A 568 -5.545 -7.308 8.793 1.00 54.12 N ATOM 998 CA VAL A 568 -5.025 -5.954 8.666 1.00 25.54 C ATOM 999 C VAL A 568 -3.463 -5.910 8.786 1.00 3.20 C ATOM 1000 O VAL A 568 -2.798 -6.912 9.086 1.00 75.22 O ATOM 1001 CB VAL A 568 -5.739 -4.952 9.655 1.00 31.40 C ATOM 1002 CG1 VAL A 568 -5.102 -4.874 11.040 1.00 4.43 C ATOM 1003 CG2 VAL A 568 -5.898 -3.586 9.037 1.00 61.44 C ATOM 0 H VAL A 568 -6.178 -7.557 8.033 1.00 54.12 H new ATOM 0 HA VAL A 568 -5.264 -5.613 7.658 1.00 25.54 H new ATOM 0 HB VAL A 568 -6.731 -5.371 9.823 1.00 31.40 H new ATOM 0 HG11 VAL A 568 -5.654 -4.163 11.655 1.00 4.43 H new ATOM 0 HG12 VAL A 568 -5.129 -5.858 11.509 1.00 4.43 H new ATOM 0 HG13 VAL A 568 -4.067 -4.545 10.946 1.00 4.43 H new ATOM 0 HG21 VAL A 568 -6.393 -2.922 9.745 1.00 61.44 H new ATOM 0 HG22 VAL A 568 -4.916 -3.183 8.787 1.00 61.44 H new ATOM 0 HG23 VAL A 568 -6.500 -3.664 8.131 1.00 61.44 H new ATOM 1013 N LYS A 569 -2.878 -4.805 8.498 1.00 10.01 N ATOM 1014 CA LYS A 569 -1.460 -4.675 8.653 1.00 31.15 C ATOM 1015 C LYS A 569 -1.146 -3.217 8.745 1.00 42.24 C ATOM 1016 O LYS A 569 -1.902 -2.410 8.215 1.00 11.03 O ATOM 1017 CB LYS A 569 -0.714 -5.360 7.479 1.00 22.31 C ATOM 1018 CG LYS A 569 0.790 -5.530 7.674 1.00 2.20 C ATOM 1019 CD LYS A 569 1.155 -6.185 9.016 1.00 30.11 C ATOM 1020 CE LYS A 569 0.502 -7.545 9.243 1.00 50.13 C ATOM 1021 NZ LYS A 569 0.869 -8.093 10.572 1.00 54.23 N ATOM 0 H LYS A 569 -3.353 -3.971 8.152 1.00 10.01 H new ATOM 0 HA LYS A 569 -1.123 -5.175 9.561 1.00 31.15 H new ATOM 0 HB2 LYS A 569 -1.156 -6.343 7.313 1.00 22.31 H new ATOM 0 HB3 LYS A 569 -0.883 -4.778 6.573 1.00 22.31 H new ATOM 0 HG2 LYS A 569 1.189 -6.136 6.861 1.00 2.20 H new ATOM 0 HG3 LYS A 569 1.271 -4.554 7.610 1.00 2.20 H new ATOM 0 HD2 LYS A 569 2.238 -6.300 9.069 1.00 30.11 H new ATOM 0 HD3 LYS A 569 0.865 -5.515 9.826 1.00 30.11 H new ATOM 0 HE2 LYS A 569 -0.581 -7.449 9.171 1.00 50.13 H new ATOM 0 HE3 LYS A 569 0.813 -8.238 8.461 1.00 50.13 H new ATOM 0 HZ1 LYS A 569 1.447 -8.948 10.447 1.00 54.23 H new ATOM 0 HZ2 LYS A 569 1.412 -7.382 11.103 1.00 54.23 H new ATOM 0 HZ3 LYS A 569 0.005 -8.333 11.099 1.00 54.23 H new ATOM 1035 N THR A 570 -0.103 -2.871 9.464 1.00 24.00 N ATOM 1036 CA THR A 570 0.274 -1.495 9.615 1.00 44.01 C ATOM 1037 C THR A 570 1.696 -1.222 9.203 1.00 20.24 C ATOM 1038 O THR A 570 2.647 -1.866 9.679 1.00 32.11 O ATOM 1039 CB THR A 570 0.017 -0.951 11.045 1.00 30.24 C ATOM 1040 OG1 THR A 570 0.452 -1.907 12.036 1.00 50.31 O ATOM 1041 CG2 THR A 570 -1.449 -0.637 11.239 1.00 43.43 C ATOM 0 H THR A 570 0.499 -3.532 9.954 1.00 24.00 H new ATOM 0 HA THR A 570 -0.378 -0.955 8.929 1.00 44.01 H new ATOM 0 HB THR A 570 0.591 -0.032 11.167 1.00 30.24 H new ATOM 0 HG1 THR A 570 0.285 -1.548 12.932 1.00 50.31 H new ATOM 0 HG21 THR A 570 -1.609 -0.257 12.248 1.00 43.43 H new ATOM 0 HG22 THR A 570 -1.759 0.116 10.514 1.00 43.43 H new ATOM 0 HG23 THR A 570 -2.037 -1.543 11.095 1.00 43.43 H new ATOM 1049 N ILE A 571 1.832 -0.305 8.289 1.00 24.33 N ATOM 1050 CA ILE A 571 3.120 0.207 7.918 1.00 51.33 C ATOM 1051 C ILE A 571 3.396 1.312 8.906 1.00 30.44 C ATOM 1052 O ILE A 571 2.652 2.294 8.945 1.00 32.22 O ATOM 1053 CB ILE A 571 3.174 0.811 6.461 1.00 30.44 C ATOM 1054 CG1 ILE A 571 2.905 -0.229 5.352 1.00 31.14 C ATOM 1055 CG2 ILE A 571 4.512 1.479 6.207 1.00 31.13 C ATOM 1056 CD1 ILE A 571 1.481 -0.719 5.257 1.00 72.24 C ATOM 0 H ILE A 571 1.052 0.110 7.779 1.00 24.33 H new ATOM 0 HA ILE A 571 3.848 -0.604 7.928 1.00 51.33 H new ATOM 0 HB ILE A 571 2.370 1.546 6.416 1.00 30.44 H new ATOM 0 HG12 ILE A 571 3.186 0.206 4.393 1.00 31.14 H new ATOM 0 HG13 ILE A 571 3.557 -1.087 5.516 1.00 31.14 H new ATOM 0 HG21 ILE A 571 4.528 1.889 5.197 1.00 31.13 H new ATOM 0 HG22 ILE A 571 4.660 2.284 6.927 1.00 31.13 H new ATOM 0 HG23 ILE A 571 5.311 0.745 6.314 1.00 31.13 H new ATOM 0 HD11 ILE A 571 1.399 -1.445 4.448 1.00 72.24 H new ATOM 0 HD12 ILE A 571 1.195 -1.190 6.197 1.00 72.24 H new ATOM 0 HD13 ILE A 571 0.819 0.123 5.057 1.00 72.24 H new ATOM 1068 N SER A 572 4.384 1.135 9.729 1.00 32.12 N ATOM 1069 CA SER A 572 4.681 2.107 10.740 1.00 30.33 C ATOM 1070 C SER A 572 5.876 2.942 10.325 1.00 54.45 C ATOM 1071 O SER A 572 7.012 2.462 10.297 1.00 11.10 O ATOM 1072 CB SER A 572 4.926 1.394 12.057 1.00 70.40 C ATOM 1073 OG SER A 572 3.802 0.577 12.369 1.00 20.24 O ATOM 0 H SER A 572 5.002 0.323 9.721 1.00 32.12 H new ATOM 0 HA SER A 572 3.837 2.785 10.866 1.00 30.33 H new ATOM 0 HB2 SER A 572 5.826 0.783 11.990 1.00 70.40 H new ATOM 0 HB3 SER A 572 5.092 2.121 12.852 1.00 70.40 H new ATOM 0 HG SER A 572 3.960 0.115 13.219 1.00 20.24 H new ATOM 1079 N VAL A 573 5.617 4.183 10.001 1.00 0.34 N ATOM 1080 CA VAL A 573 6.654 5.068 9.525 1.00 63.14 C ATOM 1081 C VAL A 573 6.919 6.141 10.554 1.00 1.31 C ATOM 1082 O VAL A 573 5.976 6.690 11.154 1.00 42.14 O ATOM 1083 CB VAL A 573 6.282 5.749 8.174 1.00 70.42 C ATOM 1084 CG1 VAL A 573 7.460 6.549 7.612 1.00 43.01 C ATOM 1085 CG2 VAL A 573 5.789 4.729 7.159 1.00 63.15 C ATOM 0 H VAL A 573 4.691 4.607 10.058 1.00 0.34 H new ATOM 0 HA VAL A 573 7.543 4.459 9.361 1.00 63.14 H new ATOM 0 HB VAL A 573 5.468 6.446 8.373 1.00 70.42 H new ATOM 0 HG11 VAL A 573 7.169 7.012 6.669 1.00 43.01 H new ATOM 0 HG12 VAL A 573 7.746 7.324 8.323 1.00 43.01 H new ATOM 0 HG13 VAL A 573 8.305 5.882 7.443 1.00 43.01 H new ATOM 0 HG21 VAL A 573 5.537 5.235 6.227 1.00 63.15 H new ATOM 0 HG22 VAL A 573 6.572 3.994 6.973 1.00 63.15 H new ATOM 0 HG23 VAL A 573 4.904 4.226 7.549 1.00 63.15 H new ATOM 1095 N LYS A 574 8.176 6.414 10.766 1.00 21.33 N ATOM 1096 CA LYS A 574 8.617 7.431 11.682 1.00 42.10 C ATOM 1097 C LYS A 574 8.866 8.736 10.935 1.00 62.13 C ATOM 1098 O LYS A 574 9.625 8.776 9.960 1.00 34.43 O ATOM 1099 CB LYS A 574 9.897 6.962 12.411 1.00 1.02 C ATOM 1100 CG LYS A 574 10.597 8.021 13.275 1.00 42.21 C ATOM 1101 CD LYS A 574 9.759 8.476 14.459 1.00 4.43 C ATOM 1102 CE LYS A 574 9.561 7.368 15.481 1.00 35.11 C ATOM 1103 NZ LYS A 574 10.835 6.899 16.067 1.00 10.20 N ATOM 0 H LYS A 574 8.939 5.926 10.297 1.00 21.33 H new ATOM 0 HA LYS A 574 7.840 7.606 12.426 1.00 42.10 H new ATOM 0 HB2 LYS A 574 9.641 6.113 13.045 1.00 1.02 H new ATOM 0 HB3 LYS A 574 10.606 6.601 11.666 1.00 1.02 H new ATOM 0 HG2 LYS A 574 11.541 7.617 13.640 1.00 42.21 H new ATOM 0 HG3 LYS A 574 10.838 8.885 12.655 1.00 42.21 H new ATOM 0 HD2 LYS A 574 10.242 9.328 14.938 1.00 4.43 H new ATOM 0 HD3 LYS A 574 8.787 8.819 14.104 1.00 4.43 H new ATOM 0 HE2 LYS A 574 8.909 7.726 16.278 1.00 35.11 H new ATOM 0 HE3 LYS A 574 9.053 6.528 15.007 1.00 35.11 H new ATOM 0 HZ1 LYS A 574 10.638 6.326 16.912 1.00 10.20 H new ATOM 0 HZ2 LYS A 574 11.347 6.322 15.369 1.00 10.20 H new ATOM 0 HZ3 LYS A 574 11.417 7.719 16.333 1.00 10.20 H new ATOM 1117 N VAL A 575 8.210 9.775 11.367 1.00 60.04 N ATOM 1118 CA VAL A 575 8.416 11.095 10.812 1.00 44.44 C ATOM 1119 C VAL A 575 9.445 11.792 11.690 1.00 71.12 C ATOM 1120 O VAL A 575 9.341 11.740 12.917 1.00 3.22 O ATOM 1121 CB VAL A 575 7.088 11.914 10.778 1.00 34.11 C ATOM 1122 CG1 VAL A 575 7.302 13.302 10.178 1.00 11.13 C ATOM 1123 CG2 VAL A 575 6.017 11.160 9.996 1.00 41.54 C ATOM 0 H VAL A 575 7.516 9.738 12.114 1.00 60.04 H new ATOM 0 HA VAL A 575 8.764 11.018 9.782 1.00 44.44 H new ATOM 0 HB VAL A 575 6.752 12.042 11.807 1.00 34.11 H new ATOM 0 HG11 VAL A 575 6.357 13.845 10.170 1.00 11.13 H new ATOM 0 HG12 VAL A 575 8.029 13.849 10.778 1.00 11.13 H new ATOM 0 HG13 VAL A 575 7.673 13.204 9.158 1.00 11.13 H new ATOM 0 HG21 VAL A 575 5.097 11.745 9.982 1.00 41.54 H new ATOM 0 HG22 VAL A 575 6.359 10.997 8.974 1.00 41.54 H new ATOM 0 HG23 VAL A 575 5.828 10.198 10.473 1.00 41.54 H new ATOM 1133 N ILE A 576 10.426 12.418 11.094 1.00 32.21 N ATOM 1134 CA ILE A 576 11.506 13.022 11.848 1.00 14.42 C ATOM 1135 C ILE A 576 11.237 14.526 12.002 1.00 32.52 C ATOM 1136 O ILE A 576 10.416 15.094 11.273 1.00 62.10 O ATOM 1137 CB ILE A 576 12.889 12.784 11.136 1.00 3.34 C ATOM 1138 CG1 ILE A 576 13.066 11.297 10.758 1.00 33.12 C ATOM 1139 CG2 ILE A 576 14.067 13.236 12.009 1.00 52.44 C ATOM 1140 CD1 ILE A 576 13.130 10.336 11.914 1.00 11.04 C ATOM 0 H ILE A 576 10.504 12.526 10.083 1.00 32.21 H new ATOM 0 HA ILE A 576 11.553 12.558 12.833 1.00 14.42 H new ATOM 0 HB ILE A 576 12.885 13.388 10.229 1.00 3.34 H new ATOM 0 HG12 ILE A 576 12.239 11.004 10.111 1.00 33.12 H new ATOM 0 HG13 ILE A 576 13.980 11.196 10.173 1.00 33.12 H new ATOM 0 HG21 ILE A 576 15.003 13.054 11.480 1.00 52.44 H new ATOM 0 HG22 ILE A 576 13.973 14.300 12.224 1.00 52.44 H new ATOM 0 HG23 ILE A 576 14.064 12.675 12.944 1.00 52.44 H new ATOM 0 HD11 ILE A 576 13.255 9.321 11.537 1.00 11.04 H new ATOM 0 HD12 ILE A 576 13.975 10.592 12.554 1.00 11.04 H new ATOM 0 HD13 ILE A 576 12.207 10.398 12.490 1.00 11.04 H new ATOM 1152 N ASP A 577 11.886 15.134 12.975 1.00 52.22 N ATOM 1153 CA ASP A 577 11.788 16.565 13.223 1.00 71.44 C ATOM 1154 C ASP A 577 12.368 17.343 12.041 1.00 5.44 C ATOM 1155 O ASP A 577 13.596 17.343 11.825 1.00 62.53 O ATOM 1156 CB ASP A 577 12.517 16.918 14.520 1.00 44.15 C ATOM 1157 CG ASP A 577 12.463 18.388 14.850 1.00 62.42 C ATOM 1158 OD1 ASP A 577 11.411 18.869 15.334 1.00 13.51 O ATOM 1159 OD2 ASP A 577 13.483 19.089 14.681 1.00 43.55 O ATOM 0 H ASP A 577 12.503 14.647 13.624 1.00 52.22 H new ATOM 0 HA ASP A 577 10.739 16.842 13.331 1.00 71.44 H new ATOM 0 HB2 ASP A 577 12.079 16.351 15.341 1.00 44.15 H new ATOM 0 HB3 ASP A 577 13.559 16.608 14.440 1.00 44.15 H new ATOM 1164 N ASP A 578 11.471 17.998 11.291 1.00 24.03 N ATOM 1165 CA ASP A 578 11.798 18.677 10.024 1.00 32.31 C ATOM 1166 C ASP A 578 12.902 19.690 10.224 1.00 42.52 C ATOM 1167 O ASP A 578 12.817 20.574 11.088 1.00 64.51 O ATOM 1168 CB ASP A 578 10.584 19.358 9.434 1.00 33.20 C ATOM 1169 CG ASP A 578 10.625 19.401 7.929 1.00 24.12 C ATOM 1170 OD1 ASP A 578 11.681 19.023 7.319 1.00 25.32 O ATOM 1171 OD2 ASP A 578 9.594 19.767 7.316 1.00 21.54 O ATOM 0 H ASP A 578 10.487 18.074 11.547 1.00 24.03 H new ATOM 0 HA ASP A 578 12.139 17.912 9.327 1.00 32.31 H new ATOM 0 HB2 ASP A 578 9.684 18.833 9.755 1.00 33.20 H new ATOM 0 HB3 ASP A 578 10.516 20.374 9.822 1.00 33.20 H new ATOM 1176 N GLU A 579 13.897 19.573 9.418 1.00 52.42 N ATOM 1177 CA GLU A 579 15.132 20.258 9.598 1.00 15.31 C ATOM 1178 C GLU A 579 15.435 21.381 8.573 1.00 20.33 C ATOM 1179 O GLU A 579 16.085 22.378 8.928 1.00 42.34 O ATOM 1180 CB GLU A 579 16.262 19.216 9.507 1.00 12.23 C ATOM 1181 CG GLU A 579 16.538 18.654 8.092 1.00 51.42 C ATOM 1182 CD GLU A 579 15.488 17.703 7.487 1.00 53.15 C ATOM 1183 OE1 GLU A 579 14.262 18.109 7.285 1.00 31.25 O ATOM 1184 OE2 GLU A 579 15.870 16.602 7.094 1.00 21.44 O ATOM 0 H GLU A 579 13.875 18.980 8.588 1.00 52.42 H new ATOM 0 HA GLU A 579 15.061 20.754 10.566 1.00 15.31 H new ATOM 0 HB2 GLU A 579 17.180 19.667 9.885 1.00 12.23 H new ATOM 0 HB3 GLU A 579 16.020 18.384 10.168 1.00 12.23 H new ATOM 0 HG2 GLU A 579 16.659 19.498 7.413 1.00 51.42 H new ATOM 0 HG3 GLU A 579 17.492 18.128 8.119 1.00 51.42 H new ATOM 1191 N GLU A 580 14.958 21.263 7.347 1.00 2.54 N ATOM 1192 CA GLU A 580 15.539 22.087 6.276 1.00 72.31 C ATOM 1193 C GLU A 580 14.688 23.279 5.845 1.00 71.33 C ATOM 1194 O GLU A 580 14.999 24.430 6.179 1.00 2.23 O ATOM 1195 CB GLU A 580 16.056 21.218 5.046 1.00 30.00 C ATOM 1196 CG GLU A 580 15.009 20.552 4.108 1.00 75.53 C ATOM 1197 CD GLU A 580 14.033 19.650 4.799 1.00 35.02 C ATOM 1198 OE1 GLU A 580 13.219 20.088 5.557 1.00 25.55 O ATOM 1199 OE2 GLU A 580 14.036 18.456 4.656 1.00 3.20 O ATOM 0 H GLU A 580 14.204 20.637 7.064 1.00 2.54 H new ATOM 0 HA GLU A 580 16.418 22.542 6.733 1.00 72.31 H new ATOM 0 HB2 GLU A 580 16.689 21.858 4.432 1.00 30.00 H new ATOM 0 HB3 GLU A 580 16.693 20.428 5.444 1.00 30.00 H new ATOM 0 HG2 GLU A 580 14.455 21.335 3.590 1.00 75.53 H new ATOM 0 HG3 GLU A 580 15.537 19.978 3.346 1.00 75.53 H new ATOM 1206 N TYR A 581 13.629 23.018 5.169 1.00 3.35 N ATOM 1207 CA TYR A 581 12.808 24.040 4.610 1.00 51.31 C ATOM 1208 C TYR A 581 11.400 23.613 4.759 1.00 22.44 C ATOM 1209 O TYR A 581 11.130 22.408 4.870 1.00 11.34 O ATOM 1210 CB TYR A 581 13.165 24.336 3.128 1.00 30.41 C ATOM 1211 CG TYR A 581 13.029 23.176 2.148 1.00 72.45 C ATOM 1212 CD1 TYR A 581 11.791 22.656 1.831 1.00 44.22 C ATOM 1213 CD2 TYR A 581 14.138 22.629 1.524 1.00 2.21 C ATOM 1214 CE1 TYR A 581 11.645 21.636 0.942 1.00 63.22 C ATOM 1215 CE2 TYR A 581 14.002 21.594 0.622 1.00 20.25 C ATOM 1216 CZ TYR A 581 12.749 21.102 0.334 1.00 63.22 C ATOM 1217 OH TYR A 581 12.603 20.074 -0.574 1.00 13.31 O ATOM 0 H TYR A 581 13.298 22.071 4.983 1.00 3.35 H new ATOM 0 HA TYR A 581 12.976 24.977 5.140 1.00 51.31 H new ATOM 0 HB2 TYR A 581 12.530 25.151 2.781 1.00 30.41 H new ATOM 0 HB3 TYR A 581 14.194 24.695 3.091 1.00 30.41 H new ATOM 0 HD1 TYR A 581 10.912 23.071 2.302 1.00 44.22 H new ATOM 0 HD2 TYR A 581 15.121 23.017 1.746 1.00 2.21 H new ATOM 0 HE1 TYR A 581 10.662 21.249 0.717 1.00 63.22 H new ATOM 0 HE2 TYR A 581 14.874 21.172 0.144 1.00 20.25 H new ATOM 0 HH TYR A 581 13.483 19.811 -0.914 1.00 13.31 H new ATOM 1227 N GLU A 582 10.517 24.525 4.808 1.00 72.52 N ATOM 1228 CA GLU A 582 9.176 24.167 5.009 1.00 15.21 C ATOM 1229 C GLU A 582 8.387 24.406 3.743 1.00 43.14 C ATOM 1230 O GLU A 582 8.154 25.548 3.323 1.00 21.35 O ATOM 1231 CB GLU A 582 8.599 24.899 6.203 1.00 42.15 C ATOM 1232 CG GLU A 582 7.306 24.317 6.696 1.00 32.03 C ATOM 1233 CD GLU A 582 7.463 22.891 7.181 1.00 30.42 C ATOM 1234 OE1 GLU A 582 7.379 21.934 6.434 1.00 63.23 O ATOM 1235 OE2 GLU A 582 7.555 22.620 8.362 1.00 33.25 O ATOM 0 H GLU A 582 10.697 25.524 4.712 1.00 72.52 H new ATOM 0 HA GLU A 582 9.113 23.103 5.238 1.00 15.21 H new ATOM 0 HB2 GLU A 582 9.327 24.885 7.014 1.00 42.15 H new ATOM 0 HB3 GLU A 582 8.439 25.944 5.936 1.00 42.15 H new ATOM 0 HG2 GLU A 582 6.919 24.933 7.507 1.00 32.03 H new ATOM 0 HG3 GLU A 582 6.568 24.346 5.894 1.00 32.03 H new ATOM 1242 N LYS A 583 8.036 23.324 3.130 1.00 64.24 N ATOM 1243 CA LYS A 583 7.270 23.273 1.916 1.00 11.44 C ATOM 1244 C LYS A 583 6.312 22.156 2.092 1.00 3.40 C ATOM 1245 O LYS A 583 6.448 21.384 3.040 1.00 4.13 O ATOM 1246 CB LYS A 583 8.156 22.930 0.712 1.00 64.52 C ATOM 1247 CG LYS A 583 9.101 24.016 0.224 1.00 73.14 C ATOM 1248 CD LYS A 583 8.397 25.118 -0.561 1.00 51.55 C ATOM 1249 CE LYS A 583 7.719 24.591 -1.837 1.00 13.52 C ATOM 1250 NZ LYS A 583 8.645 23.854 -2.731 1.00 34.10 N ATOM 0 H LYS A 583 8.287 22.398 3.477 1.00 64.24 H new ATOM 0 HA LYS A 583 6.795 24.237 1.733 1.00 11.44 H new ATOM 0 HB2 LYS A 583 8.750 22.052 0.967 1.00 64.52 H new ATOM 0 HB3 LYS A 583 7.508 22.646 -0.117 1.00 64.52 H new ATOM 0 HG2 LYS A 583 9.610 24.458 1.081 1.00 73.14 H new ATOM 0 HG3 LYS A 583 9.869 23.565 -0.405 1.00 73.14 H new ATOM 0 HD2 LYS A 583 7.649 25.592 0.075 1.00 51.55 H new ATOM 0 HD3 LYS A 583 9.121 25.888 -0.829 1.00 51.55 H new ATOM 0 HE2 LYS A 583 6.895 23.934 -1.558 1.00 13.52 H new ATOM 0 HE3 LYS A 583 7.287 25.429 -2.384 1.00 13.52 H new ATOM 0 HZ1 LYS A 583 8.166 23.643 -3.630 1.00 34.10 H new ATOM 0 HZ2 LYS A 583 9.487 24.437 -2.916 1.00 34.10 H new ATOM 0 HZ3 LYS A 583 8.933 22.965 -2.275 1.00 34.10 H new ATOM 1264 N ASN A 584 5.373 22.047 1.216 1.00 60.41 N ATOM 1265 CA ASN A 584 4.450 20.938 1.260 1.00 74.11 C ATOM 1266 C ASN A 584 5.176 19.703 0.758 1.00 24.40 C ATOM 1267 O ASN A 584 5.382 19.535 -0.458 1.00 55.33 O ATOM 1268 CB ASN A 584 3.203 21.225 0.409 1.00 41.51 C ATOM 1269 CG ASN A 584 2.183 20.099 0.427 1.00 22.00 C ATOM 1270 OD1 ASN A 584 2.217 19.190 -0.406 1.00 74.02 O ATOM 1271 ND2 ASN A 584 1.272 20.149 1.363 1.00 64.04 N ATOM 0 H ASN A 584 5.214 22.707 0.455 1.00 60.41 H new ATOM 0 HA ASN A 584 4.108 20.780 2.283 1.00 74.11 H new ATOM 0 HB2 ASN A 584 2.730 22.139 0.769 1.00 41.51 H new ATOM 0 HB3 ASN A 584 3.510 21.409 -0.620 1.00 41.51 H new ATOM 0 HD21 ASN A 584 0.559 19.421 1.421 1.00 64.04 H new ATOM 0 HD22 ASN A 584 1.274 20.916 2.036 1.00 64.04 H new ATOM 1278 N LYS A 585 5.647 18.893 1.673 1.00 1.34 N ATOM 1279 CA LYS A 585 6.373 17.722 1.310 1.00 51.50 C ATOM 1280 C LYS A 585 5.551 16.477 1.540 1.00 54.30 C ATOM 1281 O LYS A 585 4.702 16.426 2.440 1.00 31.43 O ATOM 1282 CB LYS A 585 7.817 17.684 1.928 1.00 4.55 C ATOM 1283 CG LYS A 585 7.939 17.868 3.446 1.00 54.40 C ATOM 1284 CD LYS A 585 7.508 16.644 4.224 1.00 41.24 C ATOM 1285 CE LYS A 585 7.451 16.922 5.721 1.00 62.22 C ATOM 1286 NZ LYS A 585 8.753 17.338 6.279 1.00 42.23 N ATOM 0 H LYS A 585 5.535 19.032 2.677 1.00 1.34 H new ATOM 0 HA LYS A 585 6.554 17.758 0.236 1.00 51.50 H new ATOM 0 HB2 LYS A 585 8.270 16.728 1.667 1.00 4.55 H new ATOM 0 HB3 LYS A 585 8.411 18.460 1.446 1.00 4.55 H new ATOM 0 HG2 LYS A 585 8.973 18.106 3.696 1.00 54.40 H new ATOM 0 HG3 LYS A 585 7.333 18.720 3.754 1.00 54.40 H new ATOM 0 HD2 LYS A 585 6.528 16.318 3.876 1.00 41.24 H new ATOM 0 HD3 LYS A 585 8.203 15.827 4.031 1.00 41.24 H new ATOM 0 HE2 LYS A 585 6.714 17.702 5.913 1.00 62.22 H new ATOM 0 HE3 LYS A 585 7.109 16.026 6.239 1.00 62.22 H new ATOM 0 HZ1 LYS A 585 8.818 17.034 7.271 1.00 42.23 H new ATOM 0 HZ2 LYS A 585 9.521 16.900 5.731 1.00 42.23 H new ATOM 0 HZ3 LYS A 585 8.838 18.373 6.228 1.00 42.23 H new ATOM 1300 N THR A 586 5.767 15.505 0.705 1.00 13.12 N ATOM 1301 CA THR A 586 5.014 14.299 0.718 1.00 31.44 C ATOM 1302 C THR A 586 5.857 13.167 0.172 1.00 21.21 C ATOM 1303 O THR A 586 6.817 13.399 -0.596 1.00 33.45 O ATOM 1304 CB THR A 586 3.659 14.480 -0.077 1.00 72.14 C ATOM 1305 OG1 THR A 586 2.943 13.258 -0.197 1.00 5.41 O ATOM 1306 CG2 THR A 586 3.862 15.074 -1.454 1.00 54.31 C ATOM 0 H THR A 586 6.487 15.534 -0.017 1.00 13.12 H new ATOM 0 HA THR A 586 4.744 14.047 1.743 1.00 31.44 H new ATOM 0 HB THR A 586 3.072 15.181 0.516 1.00 72.14 H new ATOM 0 HG1 THR A 586 3.130 12.692 0.581 1.00 5.41 H new ATOM 0 HG21 THR A 586 2.898 15.175 -1.952 1.00 54.31 H new ATOM 0 HG22 THR A 586 4.327 16.055 -1.362 1.00 54.31 H new ATOM 0 HG23 THR A 586 4.507 14.420 -2.041 1.00 54.31 H new ATOM 1314 N PHE A 587 5.547 11.985 0.632 1.00 44.02 N ATOM 1315 CA PHE A 587 6.184 10.779 0.220 1.00 75.40 C ATOM 1316 C PHE A 587 5.138 9.722 -0.067 1.00 73.22 C ATOM 1317 O PHE A 587 3.994 9.834 0.393 1.00 61.01 O ATOM 1318 CB PHE A 587 7.270 10.311 1.215 1.00 64.34 C ATOM 1319 CG PHE A 587 6.974 10.472 2.684 1.00 5.34 C ATOM 1320 CD1 PHE A 587 6.076 9.658 3.344 1.00 51.14 C ATOM 1321 CD2 PHE A 587 7.656 11.422 3.412 1.00 32.21 C ATOM 1322 CE1 PHE A 587 5.873 9.795 4.706 1.00 32.11 C ATOM 1323 CE2 PHE A 587 7.450 11.567 4.765 1.00 33.43 C ATOM 1324 CZ PHE A 587 6.560 10.750 5.413 1.00 41.24 C ATOM 0 H PHE A 587 4.817 11.838 1.329 1.00 44.02 H new ATOM 0 HA PHE A 587 6.726 10.971 -0.706 1.00 75.40 H new ATOM 0 HB2 PHE A 587 7.471 9.257 1.024 1.00 64.34 H new ATOM 0 HB3 PHE A 587 8.188 10.855 0.994 1.00 64.34 H new ATOM 0 HD1 PHE A 587 5.527 8.908 2.793 1.00 51.14 H new ATOM 0 HD2 PHE A 587 8.365 12.065 2.912 1.00 32.21 H new ATOM 0 HE1 PHE A 587 5.172 9.149 5.214 1.00 32.11 H new ATOM 0 HE2 PHE A 587 7.989 12.324 5.316 1.00 33.43 H new ATOM 0 HZ PHE A 587 6.400 10.857 6.476 1.00 41.24 H new ATOM 1334 N PHE A 588 5.505 8.722 -0.819 1.00 51.42 N ATOM 1335 CA PHE A 588 4.548 7.748 -1.301 1.00 54.40 C ATOM 1336 C PHE A 588 4.859 6.381 -0.737 1.00 15.15 C ATOM 1337 O PHE A 588 6.012 5.999 -0.635 1.00 42.12 O ATOM 1338 CB PHE A 588 4.621 7.678 -2.838 1.00 45.14 C ATOM 1339 CG PHE A 588 4.715 9.026 -3.507 1.00 21.22 C ATOM 1340 CD1 PHE A 588 3.630 9.876 -3.557 1.00 43.25 C ATOM 1341 CD2 PHE A 588 5.909 9.442 -4.066 1.00 21.25 C ATOM 1342 CE1 PHE A 588 3.731 11.117 -4.155 1.00 33.13 C ATOM 1343 CE2 PHE A 588 6.021 10.681 -4.662 1.00 73.31 C ATOM 1344 CZ PHE A 588 4.928 11.521 -4.708 1.00 3.35 C ATOM 0 H PHE A 588 6.466 8.554 -1.117 1.00 51.42 H new ATOM 0 HA PHE A 588 3.550 8.051 -0.983 1.00 54.40 H new ATOM 0 HB2 PHE A 588 5.486 7.080 -3.124 1.00 45.14 H new ATOM 0 HB3 PHE A 588 3.738 7.159 -3.211 1.00 45.14 H new ATOM 0 HD1 PHE A 588 2.690 9.568 -3.123 1.00 43.25 H new ATOM 0 HD2 PHE A 588 6.767 8.787 -4.036 1.00 21.25 H new ATOM 0 HE1 PHE A 588 2.872 11.771 -4.190 1.00 33.13 H new ATOM 0 HE2 PHE A 588 6.962 10.992 -5.091 1.00 73.31 H new ATOM 0 HZ PHE A 588 5.009 12.491 -5.175 1.00 3.35 H new ATOM 1354 N LEU A 589 3.852 5.672 -0.344 1.00 1.45 N ATOM 1355 CA LEU A 589 4.021 4.305 0.072 1.00 22.03 C ATOM 1356 C LEU A 589 3.454 3.468 -1.054 1.00 10.43 C ATOM 1357 O LEU A 589 2.294 3.657 -1.454 1.00 11.12 O ATOM 1358 CB LEU A 589 3.248 4.026 1.385 1.00 14.25 C ATOM 1359 CG LEU A 589 3.712 2.846 2.282 1.00 20.21 C ATOM 1360 CD1 LEU A 589 3.651 1.504 1.579 1.00 14.34 C ATOM 1361 CD2 LEU A 589 5.095 3.103 2.818 1.00 1.21 C ATOM 0 H LEU A 589 2.892 6.014 -0.300 1.00 1.45 H new ATOM 0 HA LEU A 589 5.068 4.076 0.268 1.00 22.03 H new ATOM 0 HB2 LEU A 589 3.281 4.933 1.988 1.00 14.25 H new ATOM 0 HB3 LEU A 589 2.204 3.854 1.125 1.00 14.25 H new ATOM 0 HG LEU A 589 3.009 2.791 3.113 1.00 20.21 H new ATOM 0 HD11 LEU A 589 3.988 0.721 2.259 1.00 14.34 H new ATOM 0 HD12 LEU A 589 2.625 1.301 1.271 1.00 14.34 H new ATOM 0 HD13 LEU A 589 4.296 1.524 0.701 1.00 14.34 H new ATOM 0 HD21 LEU A 589 5.404 2.266 3.444 1.00 1.21 H new ATOM 0 HD22 LEU A 589 5.793 3.212 1.988 1.00 1.21 H new ATOM 0 HD23 LEU A 589 5.091 4.018 3.411 1.00 1.21 H new ATOM 1373 N GLU A 590 4.256 2.614 -1.598 1.00 32.15 N ATOM 1374 CA GLU A 590 3.818 1.750 -2.648 1.00 31.34 C ATOM 1375 C GLU A 590 4.217 0.347 -2.271 1.00 51.43 C ATOM 1376 O GLU A 590 5.358 0.112 -1.836 1.00 1.04 O ATOM 1377 CB GLU A 590 4.456 2.160 -3.984 1.00 70.21 C ATOM 1378 CG GLU A 590 3.870 1.470 -5.209 1.00 75.21 C ATOM 1379 CD GLU A 590 4.599 1.836 -6.480 1.00 13.22 C ATOM 1380 OE1 GLU A 590 4.484 2.998 -6.950 1.00 30.12 O ATOM 1381 OE2 GLU A 590 5.299 0.954 -7.052 1.00 42.34 O ATOM 0 H GLU A 590 5.233 2.494 -1.329 1.00 32.15 H new ATOM 0 HA GLU A 590 2.737 1.815 -2.775 1.00 31.34 H new ATOM 0 HB2 GLU A 590 4.350 3.238 -4.106 1.00 70.21 H new ATOM 0 HB3 GLU A 590 5.524 1.948 -3.941 1.00 70.21 H new ATOM 0 HG2 GLU A 590 3.911 0.390 -5.068 1.00 75.21 H new ATOM 0 HG3 GLU A 590 2.818 1.740 -5.306 1.00 75.21 H new ATOM 1388 N ILE A 591 3.281 -0.553 -2.364 1.00 74.22 N ATOM 1389 CA ILE A 591 3.526 -1.930 -2.057 1.00 22.53 C ATOM 1390 C ILE A 591 3.639 -2.697 -3.353 1.00 33.13 C ATOM 1391 O ILE A 591 3.009 -2.325 -4.359 1.00 2.33 O ATOM 1392 CB ILE A 591 2.422 -2.543 -1.139 1.00 64.33 C ATOM 1393 CG1 ILE A 591 1.042 -2.502 -1.800 1.00 41.13 C ATOM 1394 CG2 ILE A 591 2.382 -1.814 0.199 1.00 15.31 C ATOM 1395 CD1 ILE A 591 -0.059 -3.075 -0.932 1.00 60.40 C ATOM 0 H ILE A 591 2.325 -0.351 -2.656 1.00 74.22 H new ATOM 0 HA ILE A 591 4.457 -2.001 -1.495 1.00 22.53 H new ATOM 0 HB ILE A 591 2.679 -3.589 -0.973 1.00 64.33 H new ATOM 0 HG12 ILE A 591 0.797 -1.469 -2.049 1.00 41.13 H new ATOM 0 HG13 ILE A 591 1.080 -3.056 -2.738 1.00 41.13 H new ATOM 0 HG21 ILE A 591 1.608 -2.252 0.829 1.00 15.31 H new ATOM 0 HG22 ILE A 591 3.349 -1.908 0.694 1.00 15.31 H new ATOM 0 HG23 ILE A 591 2.161 -0.760 0.032 1.00 15.31 H new ATOM 0 HD11 ILE A 591 -1.009 -3.014 -1.462 1.00 60.40 H new ATOM 0 HD12 ILE A 591 0.163 -4.117 -0.704 1.00 60.40 H new ATOM 0 HD13 ILE A 591 -0.124 -2.506 -0.004 1.00 60.40 H new ATOM 1407 N GLY A 592 4.441 -3.708 -3.350 1.00 33.21 N ATOM 1408 CA GLY A 592 4.658 -4.479 -4.528 1.00 43.31 C ATOM 1409 C GLY A 592 3.757 -5.671 -4.580 1.00 24.43 C ATOM 1410 O GLY A 592 2.829 -5.793 -3.775 1.00 13.51 O ATOM 0 H GLY A 592 4.964 -4.023 -2.533 1.00 33.21 H new ATOM 0 HA2 GLY A 592 4.490 -3.857 -5.407 1.00 43.31 H new ATOM 0 HA3 GLY A 592 5.697 -4.806 -4.563 1.00 43.31 H new ATOM 1414 N GLU A 593 4.046 -6.554 -5.497 1.00 32.33 N ATOM 1415 CA GLU A 593 3.257 -7.727 -5.698 1.00 22.23 C ATOM 1416 C GLU A 593 3.620 -8.736 -4.593 1.00 74.22 C ATOM 1417 O GLU A 593 4.823 -9.008 -4.349 1.00 15.10 O ATOM 1418 CB GLU A 593 3.566 -8.309 -7.071 1.00 44.21 C ATOM 1419 CG GLU A 593 2.569 -9.319 -7.599 1.00 35.41 C ATOM 1420 CD GLU A 593 1.251 -8.756 -8.018 1.00 54.33 C ATOM 1421 OE1 GLU A 593 0.399 -8.489 -7.182 1.00 71.42 O ATOM 1422 OE2 GLU A 593 1.043 -8.589 -9.233 1.00 53.44 O ATOM 0 H GLU A 593 4.843 -6.474 -6.128 1.00 32.33 H new ATOM 0 HA GLU A 593 2.193 -7.495 -5.652 1.00 22.23 H new ATOM 0 HB2 GLU A 593 3.636 -7.488 -7.785 1.00 44.21 H new ATOM 0 HB3 GLU A 593 4.547 -8.782 -7.032 1.00 44.21 H new ATOM 0 HG2 GLU A 593 3.014 -9.832 -8.452 1.00 35.41 H new ATOM 0 HG3 GLU A 593 2.396 -10.071 -6.829 1.00 35.41 H new ATOM 1429 N PRO A 594 2.620 -9.236 -3.883 1.00 2.23 N ATOM 1430 CA PRO A 594 2.806 -10.200 -2.798 1.00 23.52 C ATOM 1431 C PRO A 594 3.201 -11.595 -3.299 1.00 74.30 C ATOM 1432 O PRO A 594 3.201 -11.872 -4.493 1.00 52.42 O ATOM 1433 CB PRO A 594 1.422 -10.254 -2.153 1.00 33.41 C ATOM 1434 CG PRO A 594 0.503 -9.954 -3.270 1.00 33.40 C ATOM 1435 CD PRO A 594 1.200 -8.899 -4.077 1.00 63.32 C ATOM 0 HA PRO A 594 3.612 -9.903 -2.127 1.00 23.52 H new ATOM 0 HB2 PRO A 594 1.220 -11.234 -1.720 1.00 33.41 H new ATOM 0 HB3 PRO A 594 1.326 -9.525 -1.349 1.00 33.41 H new ATOM 0 HG2 PRO A 594 0.307 -10.843 -3.869 1.00 33.40 H new ATOM 0 HG3 PRO A 594 -0.460 -9.598 -2.904 1.00 33.40 H new ATOM 0 HD2 PRO A 594 0.914 -8.937 -5.128 1.00 63.32 H new ATOM 0 HD3 PRO A 594 0.969 -7.896 -3.720 1.00 63.32 H new ATOM 1443 N ARG A 595 3.558 -12.459 -2.380 1.00 51.14 N ATOM 1444 CA ARG A 595 3.898 -13.814 -2.718 1.00 41.31 C ATOM 1445 C ARG A 595 3.536 -14.673 -1.527 1.00 12.21 C ATOM 1446 O ARG A 595 3.537 -14.177 -0.384 1.00 71.20 O ATOM 1447 CB ARG A 595 5.403 -13.930 -3.012 1.00 72.34 C ATOM 1448 CG ARG A 595 6.271 -13.916 -1.766 1.00 44.15 C ATOM 1449 CD ARG A 595 7.730 -13.753 -2.084 1.00 63.21 C ATOM 1450 NE ARG A 595 8.003 -12.364 -2.432 1.00 35.30 N ATOM 1451 CZ ARG A 595 8.808 -11.586 -1.721 1.00 33.20 C ATOM 1452 NH1 ARG A 595 9.748 -12.121 -0.952 1.00 2.51 N ATOM 1453 NH2 ARG A 595 8.739 -10.271 -1.834 1.00 25.12 N ATOM 0 H ARG A 595 3.620 -12.242 -1.385 1.00 51.14 H new ATOM 0 HA ARG A 595 3.359 -14.135 -3.609 1.00 41.31 H new ATOM 0 HB2 ARG A 595 5.587 -14.853 -3.562 1.00 72.34 H new ATOM 0 HB3 ARG A 595 5.702 -13.107 -3.662 1.00 72.34 H new ATOM 0 HG2 ARG A 595 5.952 -13.103 -1.114 1.00 44.15 H new ATOM 0 HG3 ARG A 595 6.124 -14.844 -1.214 1.00 44.15 H new ATOM 0 HD2 ARG A 595 8.335 -14.049 -1.227 1.00 63.21 H new ATOM 0 HD3 ARG A 595 8.007 -14.407 -2.911 1.00 63.21 H new ATOM 0 HE ARG A 595 7.554 -11.973 -3.260 1.00 35.30 H new ATOM 0 HH11 ARG A 595 9.854 -13.134 -0.906 1.00 2.51 H new ATOM 0 HH12 ARG A 595 10.365 -11.519 -0.407 1.00 2.51 H new ATOM 0 HH21 ARG A 595 8.064 -9.849 -2.471 1.00 25.12 H new ATOM 0 HH22 ARG A 595 9.361 -9.679 -1.284 1.00 25.12 H new ATOM 1467 N LEU A 596 3.211 -15.913 -1.755 1.00 13.11 N ATOM 1468 CA LEU A 596 2.897 -16.788 -0.671 1.00 63.51 C ATOM 1469 C LEU A 596 4.238 -17.238 -0.134 1.00 22.22 C ATOM 1470 O LEU A 596 5.103 -17.596 -0.911 1.00 42.02 O ATOM 1471 CB LEU A 596 2.114 -18.016 -1.188 1.00 33.33 C ATOM 1472 CG LEU A 596 0.930 -18.532 -0.346 1.00 11.41 C ATOM 1473 CD1 LEU A 596 1.267 -18.652 1.125 1.00 22.15 C ATOM 1474 CD2 LEU A 596 -0.307 -17.690 -0.567 1.00 22.34 C ATOM 0 H LEU A 596 3.158 -16.337 -2.681 1.00 13.11 H new ATOM 0 HA LEU A 596 2.284 -16.298 0.085 1.00 63.51 H new ATOM 0 HB2 LEU A 596 1.736 -17.776 -2.182 1.00 33.33 H new ATOM 0 HB3 LEU A 596 2.822 -18.837 -1.306 1.00 33.33 H new ATOM 0 HG LEU A 596 0.715 -19.542 -0.694 1.00 11.41 H new ATOM 0 HD11 LEU A 596 0.397 -19.020 1.669 1.00 22.15 H new ATOM 0 HD12 LEU A 596 2.096 -19.349 1.253 1.00 22.15 H new ATOM 0 HD13 LEU A 596 1.552 -17.674 1.514 1.00 22.15 H new ATOM 0 HD21 LEU A 596 -1.125 -18.078 0.040 1.00 22.34 H new ATOM 0 HD22 LEU A 596 -0.101 -16.659 -0.281 1.00 22.34 H new ATOM 0 HD23 LEU A 596 -0.588 -17.725 -1.620 1.00 22.34 H new ATOM 1486 N VAL A 597 4.438 -17.174 1.159 1.00 53.11 N ATOM 1487 CA VAL A 597 5.711 -17.627 1.750 1.00 24.11 C ATOM 1488 C VAL A 597 5.820 -19.123 1.570 1.00 43.00 C ATOM 1489 O VAL A 597 6.897 -19.692 1.434 1.00 61.40 O ATOM 1490 CB VAL A 597 5.813 -17.252 3.255 1.00 61.42 C ATOM 1491 CG1 VAL A 597 7.091 -17.794 3.889 1.00 13.04 C ATOM 1492 CG2 VAL A 597 5.780 -15.760 3.399 1.00 61.51 C ATOM 0 H VAL A 597 3.756 -16.820 1.830 1.00 53.11 H new ATOM 0 HA VAL A 597 6.534 -17.126 1.241 1.00 24.11 H new ATOM 0 HB VAL A 597 4.965 -17.703 3.771 1.00 61.42 H new ATOM 0 HG11 VAL A 597 7.124 -17.510 4.941 1.00 13.04 H new ATOM 0 HG12 VAL A 597 7.106 -18.881 3.806 1.00 13.04 H new ATOM 0 HG13 VAL A 597 7.957 -17.379 3.374 1.00 13.04 H new ATOM 0 HG21 VAL A 597 5.851 -15.495 4.454 1.00 61.51 H new ATOM 0 HG22 VAL A 597 6.619 -15.324 2.857 1.00 61.51 H new ATOM 0 HG23 VAL A 597 4.845 -15.376 2.991 1.00 61.51 H new ATOM 2055 N ARG A 633 0.347 -17.035 -7.635 1.00 34.21 N ATOM 2056 CA ARG A 633 0.803 -16.259 -6.509 1.00 54.21 C ATOM 2057 C ARG A 633 -0.381 -15.432 -6.035 1.00 72.44 C ATOM 2058 O ARG A 633 -1.300 -15.179 -6.819 1.00 33.15 O ATOM 2059 CB ARG A 633 1.922 -15.242 -6.909 1.00 74.33 C ATOM 2060 CG ARG A 633 3.288 -15.779 -7.358 1.00 63.31 C ATOM 2061 CD ARG A 633 3.249 -16.487 -8.704 1.00 22.23 C ATOM 2062 NE ARG A 633 4.599 -16.691 -9.243 1.00 44.33 N ATOM 2063 CZ ARG A 633 5.325 -17.817 -9.117 1.00 51.31 C ATOM 2064 NH1 ARG A 633 4.775 -18.924 -8.624 1.00 24.43 N ATOM 2065 NH2 ARG A 633 6.581 -17.848 -9.545 1.00 73.45 N ATOM 0 HA ARG A 633 1.198 -16.941 -5.756 1.00 54.21 H new ATOM 0 HB2 ARG A 633 1.531 -14.622 -7.716 1.00 74.33 H new ATOM 0 HB3 ARG A 633 2.091 -14.585 -6.055 1.00 74.33 H new ATOM 0 HG2 ARG A 633 3.995 -14.951 -7.412 1.00 63.31 H new ATOM 0 HG3 ARG A 633 3.664 -16.470 -6.604 1.00 63.31 H new ATOM 0 HD2 ARG A 633 2.750 -17.450 -8.596 1.00 22.23 H new ATOM 0 HD3 ARG A 633 2.660 -15.900 -9.408 1.00 22.23 H new ATOM 0 HE ARG A 633 5.021 -15.916 -9.755 1.00 44.33 H new ATOM 0 HH11 ARG A 633 3.796 -18.923 -8.338 1.00 24.43 H new ATOM 0 HH12 ARG A 633 5.333 -19.773 -8.532 1.00 24.43 H new ATOM 0 HH21 ARG A 633 6.996 -17.018 -9.969 1.00 73.45 H new ATOM 0 HH22 ARG A 633 7.131 -18.701 -9.450 1.00 73.45 H new ATOM 2079 N PRO A 634 -0.434 -15.053 -4.759 1.00 44.25 N ATOM 2080 CA PRO A 634 -1.386 -14.063 -4.323 1.00 21.43 C ATOM 2081 C PRO A 634 -1.031 -12.762 -4.998 1.00 13.40 C ATOM 2082 O PRO A 634 0.131 -12.398 -5.039 1.00 23.00 O ATOM 2083 CB PRO A 634 -1.150 -13.920 -2.826 1.00 25.54 C ATOM 2084 CG PRO A 634 0.165 -14.565 -2.568 1.00 33.45 C ATOM 2085 CD PRO A 634 0.384 -15.566 -3.666 1.00 1.21 C ATOM 0 HA PRO A 634 -2.418 -14.328 -4.552 1.00 21.43 H new ATOM 0 HB2 PRO A 634 -1.138 -12.871 -2.529 1.00 25.54 H new ATOM 0 HB3 PRO A 634 -1.943 -14.404 -2.256 1.00 25.54 H new ATOM 0 HG2 PRO A 634 0.963 -13.823 -2.557 1.00 33.45 H new ATOM 0 HG3 PRO A 634 0.171 -15.053 -1.594 1.00 33.45 H new ATOM 0 HD2 PRO A 634 1.435 -15.631 -3.947 1.00 1.21 H new ATOM 0 HD3 PRO A 634 0.072 -16.566 -3.366 1.00 1.21 H new ATOM 2093 N ILE A 635 -1.984 -12.106 -5.549 1.00 60.23 N ATOM 2094 CA ILE A 635 -1.715 -10.886 -6.221 1.00 35.15 C ATOM 2095 C ILE A 635 -2.329 -9.708 -5.496 1.00 33.34 C ATOM 2096 O ILE A 635 -3.185 -9.888 -4.626 1.00 60.23 O ATOM 2097 CB ILE A 635 -2.067 -10.958 -7.744 1.00 21.31 C ATOM 2098 CG1 ILE A 635 -3.494 -11.495 -8.027 1.00 11.43 C ATOM 2099 CG2 ILE A 635 -1.047 -11.824 -8.461 1.00 63.42 C ATOM 2100 CD1 ILE A 635 -4.624 -10.575 -7.646 1.00 14.21 C ATOM 0 H ILE A 635 -2.963 -12.393 -5.549 1.00 60.23 H new ATOM 0 HA ILE A 635 -0.638 -10.718 -6.194 1.00 35.15 H new ATOM 0 HB ILE A 635 -2.040 -9.935 -8.118 1.00 21.31 H new ATOM 0 HG12 ILE A 635 -3.574 -11.718 -9.091 1.00 11.43 H new ATOM 0 HG13 ILE A 635 -3.621 -12.437 -7.493 1.00 11.43 H new ATOM 0 HG21 ILE A 635 -1.293 -11.873 -9.522 1.00 63.42 H new ATOM 0 HG22 ILE A 635 -0.053 -11.393 -8.339 1.00 63.42 H new ATOM 0 HG23 ILE A 635 -1.061 -12.829 -8.038 1.00 63.42 H new ATOM 0 HD11 ILE A 635 -5.576 -11.049 -7.887 1.00 14.21 H new ATOM 0 HD12 ILE A 635 -4.581 -10.370 -6.576 1.00 14.21 H new ATOM 0 HD13 ILE A 635 -4.534 -9.640 -8.199 1.00 14.21 H new ATOM 2112 N LEU A 636 -1.839 -8.548 -5.800 1.00 0.32 N ATOM 2113 CA LEU A 636 -2.260 -7.306 -5.203 1.00 30.14 C ATOM 2114 C LEU A 636 -3.736 -6.989 -5.501 1.00 31.42 C ATOM 2115 O LEU A 636 -4.302 -7.432 -6.517 1.00 11.43 O ATOM 2116 CB LEU A 636 -1.290 -6.211 -5.659 1.00 20.30 C ATOM 2117 CG LEU A 636 -1.487 -4.789 -5.148 1.00 65.33 C ATOM 2118 CD1 LEU A 636 -0.141 -4.097 -5.107 1.00 43.01 C ATOM 2119 CD2 LEU A 636 -2.411 -4.013 -6.080 1.00 23.50 C ATOM 0 H LEU A 636 -1.105 -8.428 -6.498 1.00 0.32 H new ATOM 0 HA LEU A 636 -2.219 -7.376 -4.116 1.00 30.14 H new ATOM 0 HB2 LEU A 636 -0.284 -6.525 -5.379 1.00 20.30 H new ATOM 0 HB3 LEU A 636 -1.321 -6.176 -6.748 1.00 20.30 H new ATOM 0 HG LEU A 636 -1.933 -4.825 -4.154 1.00 65.33 H new ATOM 0 HD11 LEU A 636 -0.267 -3.077 -4.743 1.00 43.01 H new ATOM 0 HD12 LEU A 636 0.527 -4.641 -4.439 1.00 43.01 H new ATOM 0 HD13 LEU A 636 0.287 -4.074 -6.109 1.00 43.01 H new ATOM 0 HD21 LEU A 636 -2.542 -2.999 -5.701 1.00 23.50 H new ATOM 0 HD22 LEU A 636 -1.973 -3.974 -7.077 1.00 23.50 H new ATOM 0 HD23 LEU A 636 -3.380 -4.510 -6.128 1.00 23.50 H new ATOM 2131 N GLY A 637 -4.331 -6.211 -4.616 1.00 42.33 N ATOM 2132 CA GLY A 637 -5.733 -5.927 -4.656 1.00 10.32 C ATOM 2133 C GLY A 637 -6.176 -4.868 -5.647 1.00 21.23 C ATOM 2134 O GLY A 637 -5.877 -4.927 -6.840 1.00 64.24 O ATOM 0 H GLY A 637 -3.839 -5.759 -3.845 1.00 42.33 H new ATOM 0 HA2 GLY A 637 -6.263 -6.852 -4.884 1.00 10.32 H new ATOM 0 HA3 GLY A 637 -6.048 -5.616 -3.660 1.00 10.32 H new ATOM 2138 N GLU A 638 -6.868 -3.891 -5.128 1.00 42.12 N ATOM 2139 CA GLU A 638 -7.555 -2.921 -5.927 1.00 53.40 C ATOM 2140 C GLU A 638 -6.688 -1.692 -6.242 1.00 14.03 C ATOM 2141 O GLU A 638 -6.218 -1.531 -7.380 1.00 2.12 O ATOM 2142 CB GLU A 638 -8.832 -2.548 -5.200 1.00 0.32 C ATOM 2143 CG GLU A 638 -9.775 -1.681 -5.969 1.00 21.53 C ATOM 2144 CD GLU A 638 -11.041 -1.474 -5.207 1.00 24.42 C ATOM 2145 OE1 GLU A 638 -11.915 -2.352 -5.250 1.00 64.51 O ATOM 2146 OE2 GLU A 638 -11.189 -0.428 -4.553 1.00 43.43 O ATOM 0 H GLU A 638 -6.970 -3.747 -4.123 1.00 42.12 H new ATOM 0 HA GLU A 638 -7.791 -3.352 -6.900 1.00 53.40 H new ATOM 0 HB2 GLU A 638 -9.352 -3.464 -4.921 1.00 0.32 H new ATOM 0 HB3 GLU A 638 -8.567 -2.037 -4.274 1.00 0.32 H new ATOM 0 HG2 GLU A 638 -9.307 -0.718 -6.174 1.00 21.53 H new ATOM 0 HG3 GLU A 638 -9.996 -2.140 -6.933 1.00 21.53 H new ATOM 2153 N HIS A 639 -6.458 -0.843 -5.264 1.00 22.25 N ATOM 2154 CA HIS A 639 -5.661 0.348 -5.483 1.00 40.04 C ATOM 2155 C HIS A 639 -4.608 0.473 -4.413 1.00 53.51 C ATOM 2156 O HIS A 639 -4.898 0.361 -3.212 1.00 43.41 O ATOM 2157 CB HIS A 639 -6.522 1.643 -5.641 1.00 41.31 C ATOM 2158 CG HIS A 639 -7.349 2.069 -4.456 1.00 23.01 C ATOM 2159 ND1 HIS A 639 -7.401 3.364 -3.988 1.00 34.15 N ATOM 2160 CD2 HIS A 639 -8.206 1.364 -3.687 1.00 33.53 C ATOM 2161 CE1 HIS A 639 -8.263 3.407 -2.972 1.00 33.43 C ATOM 2162 NE2 HIS A 639 -8.788 2.209 -2.747 1.00 62.12 N ATOM 0 H HIS A 639 -6.809 -0.953 -4.313 1.00 22.25 H new ATOM 0 HA HIS A 639 -5.155 0.235 -6.442 1.00 40.04 H new ATOM 0 HB2 HIS A 639 -5.853 2.464 -5.899 1.00 41.31 H new ATOM 0 HB3 HIS A 639 -7.193 1.501 -6.488 1.00 41.31 H new ATOM 0 HD2 HIS A 639 -8.408 0.308 -3.786 1.00 33.53 H new ATOM 0 HE1 HIS A 639 -8.502 4.297 -2.408 1.00 33.43 H new ATOM 0 HE2 HIS A 639 -9.474 1.960 -2.035 1.00 62.12 H new ATOM 2170 N THR A 640 -3.388 0.640 -4.831 1.00 11.00 N ATOM 2171 CA THR A 640 -2.297 0.672 -3.919 1.00 34.51 C ATOM 2172 C THR A 640 -1.391 1.883 -4.125 1.00 54.24 C ATOM 2173 O THR A 640 -0.480 1.881 -4.953 1.00 73.22 O ATOM 2174 CB THR A 640 -1.504 -0.638 -3.971 1.00 31.22 C ATOM 2175 OG1 THR A 640 -1.246 -1.006 -5.347 1.00 24.32 O ATOM 2176 CG2 THR A 640 -2.285 -1.740 -3.274 1.00 72.24 C ATOM 0 H THR A 640 -3.128 0.757 -5.810 1.00 11.00 H new ATOM 0 HA THR A 640 -2.721 0.776 -2.920 1.00 34.51 H new ATOM 0 HB THR A 640 -0.551 -0.499 -3.460 1.00 31.22 H new ATOM 0 HG1 THR A 640 -0.885 -0.233 -5.830 1.00 24.32 H new ATOM 0 HG21 THR A 640 -1.717 -2.669 -3.314 1.00 72.24 H new ATOM 0 HG22 THR A 640 -2.455 -1.463 -2.234 1.00 72.24 H new ATOM 0 HG23 THR A 640 -3.243 -1.879 -3.774 1.00 72.24 H new ATOM 2184 N LYS A 641 -1.682 2.908 -3.404 1.00 42.31 N ATOM 2185 CA LYS A 641 -0.954 4.137 -3.418 1.00 71.53 C ATOM 2186 C LYS A 641 -1.212 4.783 -2.112 1.00 61.11 C ATOM 2187 O LYS A 641 -2.313 4.685 -1.605 1.00 4.10 O ATOM 2188 CB LYS A 641 -1.460 5.058 -4.554 1.00 3.14 C ATOM 2189 CG LYS A 641 -0.997 6.528 -4.475 1.00 65.12 C ATOM 2190 CD LYS A 641 0.489 6.722 -4.740 1.00 25.35 C ATOM 2191 CE LYS A 641 0.893 8.167 -4.471 1.00 71.51 C ATOM 2192 NZ LYS A 641 0.139 9.153 -5.287 1.00 54.42 N ATOM 0 H LYS A 641 -2.470 2.917 -2.757 1.00 42.31 H new ATOM 0 HA LYS A 641 0.108 3.957 -3.584 1.00 71.53 H new ATOM 0 HB2 LYS A 641 -1.132 4.643 -5.507 1.00 3.14 H new ATOM 0 HB3 LYS A 641 -2.550 5.038 -4.555 1.00 3.14 H new ATOM 0 HG2 LYS A 641 -1.564 7.117 -5.196 1.00 65.12 H new ATOM 0 HG3 LYS A 641 -1.234 6.921 -3.486 1.00 65.12 H new ATOM 0 HD2 LYS A 641 1.069 6.052 -4.105 1.00 25.35 H new ATOM 0 HD3 LYS A 641 0.718 6.460 -5.773 1.00 25.35 H new ATOM 0 HE2 LYS A 641 0.740 8.388 -3.415 1.00 71.51 H new ATOM 0 HE3 LYS A 641 1.959 8.281 -4.670 1.00 71.51 H new ATOM 0 HZ1 LYS A 641 0.508 10.108 -5.106 1.00 54.42 H new ATOM 0 HZ2 LYS A 641 0.249 8.925 -6.296 1.00 54.42 H new ATOM 0 HZ3 LYS A 641 -0.868 9.117 -5.032 1.00 54.42 H new ATOM 2206 N LEU A 642 -0.221 5.354 -1.535 1.00 60.11 N ATOM 2207 CA LEU A 642 -0.426 6.106 -0.361 1.00 2.13 C ATOM 2208 C LEU A 642 0.395 7.344 -0.454 1.00 1.32 C ATOM 2209 O LEU A 642 1.617 7.293 -0.349 1.00 21.20 O ATOM 2210 CB LEU A 642 -0.014 5.343 0.856 1.00 23.41 C ATOM 2211 CG LEU A 642 -0.325 6.022 2.169 1.00 34.01 C ATOM 2212 CD1 LEU A 642 -1.803 5.955 2.494 1.00 13.32 C ATOM 2213 CD2 LEU A 642 0.514 5.453 3.260 1.00 4.31 C ATOM 0 H LEU A 642 0.745 5.313 -1.861 1.00 60.11 H new ATOM 0 HA LEU A 642 -1.487 6.338 -0.272 1.00 2.13 H new ATOM 0 HB2 LEU A 642 -0.506 4.371 0.841 1.00 23.41 H new ATOM 0 HB3 LEU A 642 1.059 5.158 0.805 1.00 23.41 H new ATOM 0 HG LEU A 642 -0.076 7.079 2.075 1.00 34.01 H new ATOM 0 HD11 LEU A 642 -1.989 6.453 3.445 1.00 13.32 H new ATOM 0 HD12 LEU A 642 -2.371 6.451 1.707 1.00 13.32 H new ATOM 0 HD13 LEU A 642 -2.113 4.912 2.564 1.00 13.32 H new ATOM 0 HD21 LEU A 642 0.278 5.953 4.199 1.00 4.31 H new ATOM 0 HD22 LEU A 642 0.312 4.386 3.356 1.00 4.31 H new ATOM 0 HD23 LEU A 642 1.568 5.603 3.024 1.00 4.31 H new ATOM 2225 N GLU A 643 -0.235 8.416 -0.733 1.00 35.51 N ATOM 2226 CA GLU A 643 0.429 9.664 -0.780 1.00 53.41 C ATOM 2227 C GLU A 643 0.289 10.283 0.581 1.00 44.24 C ATOM 2228 O GLU A 643 -0.810 10.643 1.004 1.00 54.34 O ATOM 2229 CB GLU A 643 -0.177 10.534 -1.862 1.00 22.41 C ATOM 2230 CG GLU A 643 0.633 11.757 -2.199 1.00 72.42 C ATOM 2231 CD GLU A 643 0.155 12.387 -3.464 1.00 2.23 C ATOM 2232 OE1 GLU A 643 0.425 11.818 -4.539 1.00 4.22 O ATOM 2233 OE2 GLU A 643 -0.495 13.455 -3.417 1.00 64.52 O ATOM 0 H GLU A 643 -1.233 8.458 -0.937 1.00 35.51 H new ATOM 0 HA GLU A 643 1.484 9.550 -1.027 1.00 53.41 H new ATOM 0 HB2 GLU A 643 -0.303 9.936 -2.765 1.00 22.41 H new ATOM 0 HB3 GLU A 643 -1.172 10.847 -1.545 1.00 22.41 H new ATOM 0 HG2 GLU A 643 0.567 12.477 -1.383 1.00 72.42 H new ATOM 0 HG3 GLU A 643 1.684 11.485 -2.299 1.00 72.42 H new ATOM 2240 N VAL A 644 1.362 10.305 1.298 1.00 65.25 N ATOM 2241 CA VAL A 644 1.365 10.810 2.624 1.00 5.22 C ATOM 2242 C VAL A 644 1.746 12.256 2.595 1.00 12.21 C ATOM 2243 O VAL A 644 2.906 12.580 2.349 1.00 34.52 O ATOM 2244 CB VAL A 644 2.395 10.067 3.480 1.00 45.12 C ATOM 2245 CG1 VAL A 644 2.276 10.487 4.932 1.00 73.44 C ATOM 2246 CG2 VAL A 644 2.259 8.560 3.309 1.00 53.51 C ATOM 0 H VAL A 644 2.269 9.969 0.974 1.00 65.25 H new ATOM 0 HA VAL A 644 0.370 10.675 3.049 1.00 5.22 H new ATOM 0 HB VAL A 644 3.394 10.338 3.139 1.00 45.12 H new ATOM 0 HG11 VAL A 644 3.014 9.950 5.528 1.00 73.44 H new ATOM 0 HG12 VAL A 644 2.452 11.559 5.016 1.00 73.44 H new ATOM 0 HG13 VAL A 644 1.276 10.254 5.298 1.00 73.44 H new ATOM 0 HG21 VAL A 644 3.001 8.055 3.927 1.00 53.51 H new ATOM 0 HG22 VAL A 644 1.260 8.248 3.614 1.00 53.51 H new ATOM 0 HG23 VAL A 644 2.418 8.297 2.263 1.00 53.51 H new ATOM 2256 N ILE A 645 0.798 13.120 2.774 1.00 3.31 N ATOM 2257 CA ILE A 645 1.091 14.516 2.842 1.00 73.44 C ATOM 2258 C ILE A 645 1.327 14.856 4.300 1.00 72.13 C ATOM 2259 O ILE A 645 0.451 14.649 5.151 1.00 10.03 O ATOM 2260 CB ILE A 645 -0.020 15.438 2.218 1.00 54.53 C ATOM 2261 CG1 ILE A 645 -0.198 15.179 0.699 1.00 20.51 C ATOM 2262 CG2 ILE A 645 0.296 16.912 2.455 1.00 23.34 C ATOM 2263 CD1 ILE A 645 -0.999 13.941 0.339 1.00 14.04 C ATOM 0 H ILE A 645 -0.189 12.882 2.876 1.00 3.31 H new ATOM 0 HA ILE A 645 1.976 14.712 2.236 1.00 73.44 H new ATOM 0 HB ILE A 645 -0.956 15.189 2.718 1.00 54.53 H new ATOM 0 HG12 ILE A 645 -0.684 16.047 0.254 1.00 20.51 H new ATOM 0 HG13 ILE A 645 0.789 15.098 0.243 1.00 20.51 H new ATOM 0 HG21 ILE A 645 -0.488 17.528 2.014 1.00 23.34 H new ATOM 0 HG22 ILE A 645 0.349 17.105 3.526 1.00 23.34 H new ATOM 0 HG23 ILE A 645 1.253 17.158 1.994 1.00 23.34 H new ATOM 0 HD11 ILE A 645 -1.064 13.852 -0.745 1.00 14.04 H new ATOM 0 HD12 ILE A 645 -0.507 13.058 0.746 1.00 14.04 H new ATOM 0 HD13 ILE A 645 -2.002 14.022 0.757 1.00 14.04 H new ATOM 2275 N ILE A 646 2.507 15.321 4.591 1.00 64.41 N ATOM 2276 CA ILE A 646 2.890 15.604 5.942 1.00 35.00 C ATOM 2277 C ILE A 646 2.747 17.078 6.126 1.00 50.01 C ATOM 2278 O ILE A 646 3.527 17.848 5.570 1.00 31.34 O ATOM 2279 CB ILE A 646 4.375 15.205 6.262 1.00 51.22 C ATOM 2280 CG1 ILE A 646 4.744 13.810 5.743 1.00 35.52 C ATOM 2281 CG2 ILE A 646 4.641 15.263 7.752 1.00 61.24 C ATOM 2282 CD1 ILE A 646 5.049 13.768 4.265 1.00 24.55 C ATOM 0 H ILE A 646 3.230 15.514 3.898 1.00 64.41 H new ATOM 0 HA ILE A 646 2.257 15.021 6.612 1.00 35.00 H new ATOM 0 HB ILE A 646 4.998 15.932 5.742 1.00 51.22 H new ATOM 0 HG12 ILE A 646 5.612 13.446 6.293 1.00 35.52 H new ATOM 0 HG13 ILE A 646 3.922 13.126 5.954 1.00 35.52 H new ATOM 0 HG21 ILE A 646 5.676 14.982 7.948 1.00 61.24 H new ATOM 0 HG22 ILE A 646 4.465 16.276 8.114 1.00 61.24 H new ATOM 0 HG23 ILE A 646 3.974 14.572 8.268 1.00 61.24 H new ATOM 0 HD11 ILE A 646 5.301 12.748 3.974 1.00 24.55 H new ATOM 0 HD12 ILE A 646 4.176 14.100 3.704 1.00 24.55 H new ATOM 0 HD13 ILE A 646 5.891 14.425 4.048 1.00 24.55 H new ATOM 2294 N GLU A 647 1.769 17.470 6.854 1.00 32.41 N ATOM 2295 CA GLU A 647 1.486 18.858 7.026 1.00 45.31 C ATOM 2296 C GLU A 647 1.705 19.287 8.454 1.00 43.53 C ATOM 2297 O GLU A 647 1.613 18.474 9.379 1.00 22.20 O ATOM 2298 CB GLU A 647 0.075 19.169 6.555 1.00 63.52 C ATOM 2299 CG GLU A 647 -0.976 18.226 7.103 1.00 55.00 C ATOM 2300 CD GLU A 647 -2.347 18.634 6.702 1.00 1.25 C ATOM 2301 OE1 GLU A 647 -2.800 18.275 5.593 1.00 22.30 O ATOM 2302 OE2 GLU A 647 -2.996 19.349 7.476 1.00 61.30 O ATOM 0 H GLU A 647 1.137 16.842 7.351 1.00 32.41 H new ATOM 0 HA GLU A 647 2.180 19.432 6.412 1.00 45.31 H new ATOM 0 HB2 GLU A 647 -0.178 20.188 6.846 1.00 63.52 H new ATOM 0 HB3 GLU A 647 0.050 19.133 5.466 1.00 63.52 H new ATOM 0 HG2 GLU A 647 -0.779 17.215 6.746 1.00 55.00 H new ATOM 0 HG3 GLU A 647 -0.908 18.199 8.191 1.00 55.00 H new ATOM 2309 N GLU A 648 2.027 20.549 8.618 1.00 34.24 N ATOM 2310 CA GLU A 648 2.283 21.144 9.917 1.00 0.12 C ATOM 2311 C GLU A 648 1.076 20.981 10.809 1.00 53.11 C ATOM 2312 O GLU A 648 -0.054 21.232 10.379 1.00 22.52 O ATOM 2313 CB GLU A 648 2.667 22.626 9.781 1.00 32.03 C ATOM 2314 CG GLU A 648 4.049 22.887 9.169 1.00 35.42 C ATOM 2315 CD GLU A 648 4.242 22.253 7.816 1.00 53.20 C ATOM 2316 OE1 GLU A 648 3.553 22.632 6.872 1.00 41.23 O ATOM 2317 OE2 GLU A 648 5.088 21.320 7.689 1.00 45.01 O ATOM 0 H GLU A 648 2.121 21.205 7.843 1.00 34.24 H new ATOM 0 HA GLU A 648 3.126 20.625 10.373 1.00 0.12 H new ATOM 0 HB2 GLU A 648 1.916 23.125 9.169 1.00 32.03 H new ATOM 0 HB3 GLU A 648 2.631 23.087 10.768 1.00 32.03 H new ATOM 0 HG2 GLU A 648 4.200 23.963 9.081 1.00 35.42 H new ATOM 0 HG3 GLU A 648 4.814 22.512 9.849 1.00 35.42 H new ATOM 2324 N SER A 649 1.325 20.560 12.024 1.00 4.21 N ATOM 2325 CA SER A 649 0.300 20.230 12.974 1.00 45.34 C ATOM 2326 C SER A 649 -0.631 21.402 13.253 1.00 55.23 C ATOM 2327 O SER A 649 -0.231 22.410 13.863 1.00 1.12 O ATOM 2328 CB SER A 649 0.937 19.729 14.273 1.00 12.04 C ATOM 2329 OG SER A 649 -0.044 19.314 15.217 1.00 53.31 O ATOM 0 H SER A 649 2.271 20.435 12.386 1.00 4.21 H new ATOM 0 HA SER A 649 -0.310 19.439 12.538 1.00 45.34 H new ATOM 0 HB2 SER A 649 1.605 18.896 14.053 1.00 12.04 H new ATOM 0 HB3 SER A 649 1.547 20.521 14.707 1.00 12.04 H new ATOM 0 HG SER A 649 -0.294 18.383 15.041 1.00 53.31 H new