USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 782 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 -3:sc= 0.837 USER MOD Set 1.2: A 556 THR OG1 : rot 176:sc= 0.738 USER MOD Set 2.1: A 506 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 639 THR OG1 : rot -73:sc= 1.49 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc=-9.09e-06 X(o=-9.1e-06,f=-9.1e-06) USER MOD Single : A 515 SER OG : rot 180:sc= 0.368 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl 147:sc= -0.218 (180deg=-2.57!) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0.00714 USER MOD Single : A 529 SER OG : rot 170:sc= -0.0323 USER MOD Single : A 534 ASN : amide:sc= -1.78 K(o=-1.8,f=-3.1!) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 70:sc= 0.198 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0.383 USER MOD Single : A 557 CYS SG : rot 27:sc= 0.00511 USER MOD Single : A 563 GLN : amide:sc= -0.809 X(o=-0.81,f=-0.74) USER MOD Single : A 564 ASN : amide:sc= 0.044 K(o=0.044,f=-2.1) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 THR OG1 : rot 40:sc= 0.0804 USER MOD Single : A 585 CYS SG : rot -104:sc= 1.25 USER MOD Single : A 586 SER OG : rot 180:sc= -0.741 USER MOD Single : A 588 SER OG : rot 180:sc= -0.24 USER MOD Single : A 595 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.04) USER MOD Single : A 638 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 640 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 4.203 -2.449 -6.059 1.00 50.11 N ATOM 29 CA GLY A 503 3.499 -2.538 -7.290 1.00 53.04 C ATOM 30 C GLY A 503 2.676 -3.791 -7.353 1.00 23.14 C ATOM 31 O GLY A 503 3.192 -4.879 -7.139 1.00 23.22 O ATOM 0 HA2 GLY A 503 2.852 -1.668 -7.406 1.00 53.04 H new ATOM 0 HA3 GLY A 503 4.207 -2.522 -8.119 1.00 53.04 H new ATOM 35 N ILE A 504 1.397 -3.646 -7.570 1.00 11.11 N ATOM 36 CA ILE A 504 0.551 -4.795 -7.739 1.00 70.41 C ATOM 37 C ILE A 504 0.739 -5.286 -9.154 1.00 71.44 C ATOM 38 O ILE A 504 0.344 -4.608 -10.100 1.00 51.42 O ATOM 39 CB ILE A 504 -0.941 -4.424 -7.542 1.00 43.14 C ATOM 40 CG1 ILE A 504 -1.171 -3.814 -6.157 1.00 12.11 C ATOM 41 CG2 ILE A 504 -1.837 -5.653 -7.740 1.00 35.52 C ATOM 42 CD1 ILE A 504 -2.585 -3.328 -5.949 1.00 44.35 C ATOM 0 H ILE A 504 0.920 -2.747 -7.634 1.00 11.11 H new ATOM 0 HA ILE A 504 0.816 -5.554 -7.003 1.00 70.41 H new ATOM 0 HB ILE A 504 -1.205 -3.680 -8.293 1.00 43.14 H new ATOM 0 HG12 ILE A 504 -0.933 -4.557 -5.396 1.00 12.11 H new ATOM 0 HG13 ILE A 504 -0.483 -2.981 -6.015 1.00 12.11 H new ATOM 0 HG21 ILE A 504 -2.880 -5.370 -7.597 1.00 35.52 H new ATOM 0 HG22 ILE A 504 -1.702 -6.043 -8.749 1.00 35.52 H new ATOM 0 HG23 ILE A 504 -1.567 -6.421 -7.015 1.00 35.52 H new ATOM 0 HD11 ILE A 504 -2.682 -2.907 -4.948 1.00 44.35 H new ATOM 0 HD12 ILE A 504 -2.819 -2.562 -6.689 1.00 44.35 H new ATOM 0 HD13 ILE A 504 -3.277 -4.163 -6.060 1.00 44.35 H new ATOM 54 N PHE A 505 1.324 -6.444 -9.295 1.00 30.10 N ATOM 55 CA PHE A 505 1.597 -7.008 -10.597 1.00 21.33 C ATOM 56 C PHE A 505 0.509 -7.970 -10.990 1.00 32.13 C ATOM 57 O PHE A 505 0.044 -8.766 -10.157 1.00 22.20 O ATOM 58 CB PHE A 505 2.968 -7.700 -10.628 1.00 14.24 C ATOM 59 CG PHE A 505 4.116 -6.779 -10.324 1.00 54.21 C ATOM 60 CD1 PHE A 505 4.640 -5.957 -11.304 1.00 25.34 C ATOM 61 CD2 PHE A 505 4.657 -6.725 -9.053 1.00 62.33 C ATOM 62 CE1 PHE A 505 5.685 -5.099 -11.021 1.00 2.23 C ATOM 63 CE2 PHE A 505 5.700 -5.865 -8.763 1.00 71.54 C ATOM 64 CZ PHE A 505 6.214 -5.052 -9.750 1.00 5.44 C ATOM 0 H PHE A 505 1.626 -7.026 -8.514 1.00 30.10 H new ATOM 0 HA PHE A 505 1.620 -6.192 -11.320 1.00 21.33 H new ATOM 0 HB2 PHE A 505 2.969 -8.518 -9.907 1.00 14.24 H new ATOM 0 HB3 PHE A 505 3.120 -8.143 -11.612 1.00 14.24 H new ATOM 0 HD1 PHE A 505 4.228 -5.986 -12.302 1.00 25.34 H new ATOM 0 HD2 PHE A 505 4.260 -7.363 -8.277 1.00 62.33 H new ATOM 0 HE1 PHE A 505 6.088 -4.465 -11.797 1.00 2.23 H new ATOM 0 HE2 PHE A 505 6.111 -5.830 -7.765 1.00 71.54 H new ATOM 0 HZ PHE A 505 7.029 -4.380 -9.528 1.00 5.44 H new ATOM 74 N THR A 506 0.072 -7.855 -12.214 1.00 40.40 N ATOM 75 CA THR A 506 -0.939 -8.700 -12.763 1.00 21.02 C ATOM 76 C THR A 506 -0.691 -8.859 -14.278 1.00 61.13 C ATOM 77 O THR A 506 0.029 -8.044 -14.889 1.00 55.34 O ATOM 78 CB THR A 506 -2.361 -8.102 -12.476 1.00 15.31 C ATOM 79 OG1 THR A 506 -3.408 -8.992 -12.902 1.00 44.21 O ATOM 80 CG2 THR A 506 -2.545 -6.737 -13.147 1.00 13.42 C ATOM 0 H THR A 506 0.420 -7.154 -12.868 1.00 40.40 H new ATOM 0 HA THR A 506 -0.897 -9.683 -12.295 1.00 21.02 H new ATOM 0 HB THR A 506 -2.430 -7.974 -11.396 1.00 15.31 H new ATOM 0 HG1 THR A 506 -4.280 -8.589 -12.707 1.00 44.21 H new ATOM 0 HG21 THR A 506 -3.541 -6.354 -12.926 1.00 13.42 H new ATOM 0 HG22 THR A 506 -1.797 -6.041 -12.768 1.00 13.42 H new ATOM 0 HG23 THR A 506 -2.428 -6.843 -14.226 1.00 13.42 H new ATOM 88 N PHE A 507 -1.223 -9.911 -14.856 1.00 23.03 N ATOM 89 CA PHE A 507 -1.162 -10.131 -16.301 1.00 12.11 C ATOM 90 C PHE A 507 -2.236 -9.283 -16.990 1.00 4.35 C ATOM 91 O PHE A 507 -3.107 -8.724 -16.318 1.00 25.31 O ATOM 92 CB PHE A 507 -1.377 -11.621 -16.632 1.00 12.51 C ATOM 93 CG PHE A 507 -0.268 -12.536 -16.195 1.00 34.42 C ATOM 94 CD1 PHE A 507 0.980 -12.454 -16.780 1.00 45.41 C ATOM 95 CD2 PHE A 507 -0.479 -13.493 -15.225 1.00 42.24 C ATOM 96 CE1 PHE A 507 1.996 -13.311 -16.403 1.00 2.25 C ATOM 97 CE2 PHE A 507 0.529 -14.347 -14.840 1.00 71.13 C ATOM 98 CZ PHE A 507 1.769 -14.256 -15.432 1.00 5.45 C ATOM 0 H PHE A 507 -1.713 -10.645 -14.346 1.00 23.03 H new ATOM 0 HA PHE A 507 -0.176 -9.837 -16.662 1.00 12.11 H new ATOM 0 HB2 PHE A 507 -2.305 -11.951 -16.165 1.00 12.51 H new ATOM 0 HB3 PHE A 507 -1.508 -11.723 -17.709 1.00 12.51 H new ATOM 0 HD1 PHE A 507 1.164 -11.711 -17.542 1.00 45.41 H new ATOM 0 HD2 PHE A 507 -1.451 -13.574 -14.760 1.00 42.24 H new ATOM 0 HE1 PHE A 507 2.967 -13.238 -16.871 1.00 2.25 H new ATOM 0 HE2 PHE A 507 0.348 -15.087 -14.075 1.00 71.13 H new ATOM 0 HZ PHE A 507 2.562 -14.926 -15.134 1.00 5.45 H new ATOM 108 N GLU A 508 -2.191 -9.188 -18.312 1.00 3.54 N ATOM 109 CA GLU A 508 -3.200 -8.417 -19.044 1.00 54.22 C ATOM 110 C GLU A 508 -4.508 -9.192 -19.081 1.00 45.11 C ATOM 111 O GLU A 508 -5.597 -8.631 -18.894 1.00 12.53 O ATOM 112 CB GLU A 508 -2.755 -8.110 -20.477 1.00 34.51 C ATOM 113 CG GLU A 508 -1.486 -7.289 -20.594 1.00 71.13 C ATOM 114 CD GLU A 508 -1.165 -6.950 -22.025 1.00 3.25 C ATOM 115 OE1 GLU A 508 -0.663 -7.828 -22.755 1.00 73.53 O ATOM 116 OE2 GLU A 508 -1.413 -5.805 -22.452 1.00 71.32 O ATOM 0 H GLU A 508 -1.480 -9.626 -18.897 1.00 3.54 H new ATOM 0 HA GLU A 508 -3.335 -7.470 -18.522 1.00 54.22 H new ATOM 0 HB2 GLU A 508 -2.610 -9.052 -21.006 1.00 34.51 H new ATOM 0 HB3 GLU A 508 -3.560 -7.580 -20.985 1.00 34.51 H new ATOM 0 HG2 GLU A 508 -1.595 -6.369 -20.019 1.00 71.13 H new ATOM 0 HG3 GLU A 508 -0.655 -7.842 -20.157 1.00 71.13 H new ATOM 123 N GLU A 509 -4.391 -10.474 -19.305 1.00 55.44 N ATOM 124 CA GLU A 509 -5.521 -11.369 -19.370 1.00 52.32 C ATOM 125 C GLU A 509 -5.189 -12.637 -18.607 1.00 15.15 C ATOM 126 O GLU A 509 -4.025 -12.883 -18.322 1.00 61.53 O ATOM 127 CB GLU A 509 -5.877 -11.713 -20.828 1.00 11.13 C ATOM 128 CG GLU A 509 -6.367 -10.544 -21.660 1.00 64.23 C ATOM 129 CD GLU A 509 -6.856 -10.978 -23.010 1.00 50.02 C ATOM 130 OE1 GLU A 509 -6.045 -11.147 -23.928 1.00 73.14 O ATOM 131 OE2 GLU A 509 -8.086 -11.165 -23.184 1.00 70.13 O ATOM 0 H GLU A 509 -3.493 -10.936 -19.450 1.00 55.44 H new ATOM 0 HA GLU A 509 -6.385 -10.877 -18.923 1.00 52.32 H new ATOM 0 HB2 GLU A 509 -4.997 -12.139 -21.310 1.00 11.13 H new ATOM 0 HB3 GLU A 509 -6.646 -12.486 -20.826 1.00 11.13 H new ATOM 0 HG2 GLU A 509 -7.172 -10.034 -21.130 1.00 64.23 H new ATOM 0 HG3 GLU A 509 -5.559 -9.823 -21.782 1.00 64.23 H new ATOM 138 N PRO A 510 -6.189 -13.437 -18.216 1.00 71.35 N ATOM 139 CA PRO A 510 -5.943 -14.712 -17.565 1.00 32.25 C ATOM 140 C PRO A 510 -5.704 -15.844 -18.581 1.00 70.21 C ATOM 141 O PRO A 510 -5.265 -16.934 -18.220 1.00 43.54 O ATOM 142 CB PRO A 510 -7.229 -14.953 -16.775 1.00 14.15 C ATOM 143 CG PRO A 510 -8.293 -14.286 -17.574 1.00 65.14 C ATOM 144 CD PRO A 510 -7.640 -13.135 -18.298 1.00 75.14 C ATOM 0 HA PRO A 510 -5.046 -14.696 -16.945 1.00 32.25 H new ATOM 0 HB2 PRO A 510 -7.429 -16.018 -16.660 1.00 14.15 H new ATOM 0 HB3 PRO A 510 -7.163 -14.531 -15.772 1.00 14.15 H new ATOM 0 HG2 PRO A 510 -8.739 -14.984 -18.282 1.00 65.14 H new ATOM 0 HG3 PRO A 510 -9.096 -13.930 -16.928 1.00 65.14 H new ATOM 0 HD2 PRO A 510 -7.977 -13.072 -19.333 1.00 75.14 H new ATOM 0 HD3 PRO A 510 -7.877 -12.181 -17.827 1.00 75.14 H new ATOM 152 N VAL A 511 -5.994 -15.581 -19.843 1.00 33.40 N ATOM 153 CA VAL A 511 -5.829 -16.552 -20.913 1.00 11.13 C ATOM 154 C VAL A 511 -5.336 -15.837 -22.159 1.00 52.52 C ATOM 155 O VAL A 511 -5.778 -14.726 -22.449 1.00 41.11 O ATOM 156 CB VAL A 511 -7.178 -17.301 -21.245 1.00 32.10 C ATOM 157 CG1 VAL A 511 -7.025 -18.195 -22.456 1.00 51.41 C ATOM 158 CG2 VAL A 511 -7.640 -18.141 -20.073 1.00 43.25 C ATOM 0 H VAL A 511 -6.354 -14.680 -20.158 1.00 33.40 H new ATOM 0 HA VAL A 511 -5.106 -17.298 -20.582 1.00 11.13 H new ATOM 0 HB VAL A 511 -7.922 -16.533 -21.456 1.00 32.10 H new ATOM 0 HG11 VAL A 511 -7.971 -18.697 -22.659 1.00 51.41 H new ATOM 0 HG12 VAL A 511 -6.741 -17.593 -23.319 1.00 51.41 H new ATOM 0 HG13 VAL A 511 -6.253 -18.940 -22.263 1.00 51.41 H new ATOM 0 HG21 VAL A 511 -8.571 -18.645 -20.331 1.00 43.25 H new ATOM 0 HG22 VAL A 511 -6.879 -18.884 -19.836 1.00 43.25 H new ATOM 0 HG23 VAL A 511 -7.803 -17.499 -19.207 1.00 43.25 H new ATOM 168 N THR A 512 -4.401 -16.432 -22.850 1.00 42.22 N ATOM 169 CA THR A 512 -3.935 -15.910 -24.095 1.00 13.33 C ATOM 170 C THR A 512 -3.859 -17.046 -25.118 1.00 55.14 C ATOM 171 O THR A 512 -3.427 -18.172 -24.794 1.00 24.20 O ATOM 172 CB THR A 512 -2.569 -15.149 -23.968 1.00 74.44 C ATOM 173 OG1 THR A 512 -2.214 -14.542 -25.216 1.00 34.10 O ATOM 174 CG2 THR A 512 -1.442 -16.071 -23.532 1.00 61.00 C ATOM 0 H THR A 512 -3.943 -17.296 -22.559 1.00 42.22 H new ATOM 0 HA THR A 512 -4.649 -15.161 -24.437 1.00 13.33 H new ATOM 0 HB THR A 512 -2.705 -14.383 -23.205 1.00 74.44 H new ATOM 0 HG1 THR A 512 -1.361 -14.070 -25.119 1.00 34.10 H new ATOM 0 HG21 THR A 512 -0.515 -15.502 -23.457 1.00 61.00 H new ATOM 0 HG22 THR A 512 -1.681 -16.504 -22.561 1.00 61.00 H new ATOM 0 HG23 THR A 512 -1.320 -16.868 -24.265 1.00 61.00 H new ATOM 182 N HIS A 513 -4.310 -16.775 -26.307 1.00 12.42 N ATOM 183 CA HIS A 513 -4.302 -17.744 -27.363 1.00 52.11 C ATOM 184 C HIS A 513 -3.233 -17.395 -28.388 1.00 55.25 C ATOM 185 O HIS A 513 -3.283 -16.343 -29.028 1.00 51.32 O ATOM 186 CB HIS A 513 -5.721 -17.915 -27.992 1.00 11.25 C ATOM 187 CG HIS A 513 -6.424 -16.643 -28.440 1.00 14.14 C ATOM 188 ND1 HIS A 513 -7.405 -16.008 -27.705 1.00 14.52 N ATOM 189 CD2 HIS A 513 -6.301 -15.925 -29.582 1.00 62.43 C ATOM 190 CE1 HIS A 513 -7.836 -14.957 -28.404 1.00 34.52 C ATOM 191 NE2 HIS A 513 -7.196 -14.859 -29.558 1.00 1.32 N ATOM 0 H HIS A 513 -4.696 -15.869 -26.573 1.00 12.42 H new ATOM 0 HA HIS A 513 -4.043 -18.718 -26.947 1.00 52.11 H new ATOM 0 HB2 HIS A 513 -5.635 -18.578 -28.853 1.00 11.25 H new ATOM 0 HB3 HIS A 513 -6.358 -18.418 -27.265 1.00 11.25 H new ATOM 0 HD2 HIS A 513 -5.615 -16.145 -30.386 1.00 62.43 H new ATOM 0 HE1 HIS A 513 -8.606 -14.276 -28.072 1.00 34.52 H new ATOM 0 HE2 HIS A 513 -7.330 -14.150 -30.279 1.00 1.32 H new ATOM 199 N VAL A 514 -2.235 -18.245 -28.494 1.00 11.41 N ATOM 200 CA VAL A 514 -1.136 -18.040 -29.418 1.00 72.21 C ATOM 201 C VAL A 514 -0.922 -19.292 -30.252 1.00 41.13 C ATOM 202 O VAL A 514 -1.445 -20.348 -29.928 1.00 71.44 O ATOM 203 CB VAL A 514 0.197 -17.639 -28.701 1.00 15.12 C ATOM 204 CG1 VAL A 514 0.063 -16.294 -28.007 1.00 70.44 C ATOM 205 CG2 VAL A 514 0.625 -18.695 -27.698 1.00 44.22 C ATOM 0 H VAL A 514 -2.161 -19.100 -27.942 1.00 11.41 H new ATOM 0 HA VAL A 514 -1.412 -17.205 -30.061 1.00 72.21 H new ATOM 0 HB VAL A 514 0.965 -17.561 -29.471 1.00 15.12 H new ATOM 0 HG11 VAL A 514 1.004 -16.042 -27.518 1.00 70.44 H new ATOM 0 HG12 VAL A 514 -0.180 -15.528 -28.743 1.00 70.44 H new ATOM 0 HG13 VAL A 514 -0.731 -16.347 -27.262 1.00 70.44 H new ATOM 0 HG21 VAL A 514 1.554 -18.386 -27.218 1.00 44.22 H new ATOM 0 HG22 VAL A 514 -0.151 -18.815 -26.943 1.00 44.22 H new ATOM 0 HG23 VAL A 514 0.781 -19.643 -28.212 1.00 44.22 H new ATOM 215 N SER A 515 -0.166 -19.177 -31.312 1.00 24.05 N ATOM 216 CA SER A 515 0.082 -20.299 -32.196 1.00 30.13 C ATOM 217 C SER A 515 1.253 -21.124 -31.689 1.00 71.14 C ATOM 218 O SER A 515 2.053 -20.656 -30.894 1.00 11.10 O ATOM 219 CB SER A 515 0.400 -19.785 -33.602 1.00 0.22 C ATOM 220 OG SER A 515 0.576 -20.849 -34.557 1.00 4.41 O ATOM 0 H SER A 515 0.295 -18.311 -31.591 1.00 24.05 H new ATOM 0 HA SER A 515 -0.810 -20.925 -32.223 1.00 30.13 H new ATOM 0 HB2 SER A 515 -0.406 -19.132 -33.936 1.00 0.22 H new ATOM 0 HB3 SER A 515 1.306 -19.180 -33.567 1.00 0.22 H new ATOM 0 HG SER A 515 0.775 -20.468 -35.438 1.00 4.41 H new ATOM 226 N GLU A 516 1.352 -22.328 -32.184 1.00 20.22 N ATOM 227 CA GLU A 516 2.436 -23.222 -31.894 1.00 23.21 C ATOM 228 C GLU A 516 3.597 -22.818 -32.792 1.00 74.31 C ATOM 229 O GLU A 516 4.745 -23.118 -32.532 1.00 3.21 O ATOM 230 CB GLU A 516 2.049 -24.682 -32.232 1.00 30.55 C ATOM 231 CG GLU A 516 0.565 -25.035 -32.065 1.00 60.31 C ATOM 232 CD GLU A 516 -0.285 -24.706 -33.301 1.00 43.23 C ATOM 233 OE1 GLU A 516 -0.174 -23.574 -33.863 1.00 25.41 O ATOM 234 OE2 GLU A 516 -1.087 -25.552 -33.711 1.00 44.13 O ATOM 0 H GLU A 516 0.659 -22.724 -32.819 1.00 20.22 H new ATOM 0 HA GLU A 516 2.690 -23.165 -30.836 1.00 23.21 H new ATOM 0 HB2 GLU A 516 2.338 -24.885 -33.263 1.00 30.55 H new ATOM 0 HB3 GLU A 516 2.635 -25.349 -31.600 1.00 30.55 H new ATOM 0 HG2 GLU A 516 0.475 -26.099 -31.845 1.00 60.31 H new ATOM 0 HG3 GLU A 516 0.166 -24.497 -31.205 1.00 60.31 H new ATOM 241 N SER A 517 3.264 -22.104 -33.844 1.00 35.22 N ATOM 242 CA SER A 517 4.202 -21.672 -34.843 1.00 11.04 C ATOM 243 C SER A 517 4.480 -20.163 -34.733 1.00 43.52 C ATOM 244 O SER A 517 4.870 -19.531 -35.704 1.00 4.42 O ATOM 245 CB SER A 517 3.600 -21.999 -36.207 1.00 43.14 C ATOM 246 OG SER A 517 3.320 -23.393 -36.302 1.00 10.21 O ATOM 0 H SER A 517 2.307 -21.803 -34.029 1.00 35.22 H new ATOM 0 HA SER A 517 5.154 -22.184 -34.704 1.00 11.04 H new ATOM 0 HB2 SER A 517 2.684 -21.426 -36.355 1.00 43.14 H new ATOM 0 HB3 SER A 517 4.291 -21.705 -36.997 1.00 43.14 H new ATOM 0 HG SER A 517 2.933 -23.590 -37.180 1.00 10.21 H new ATOM 252 N ILE A 518 4.309 -19.597 -33.544 1.00 22.24 N ATOM 253 CA ILE A 518 4.525 -18.159 -33.362 1.00 63.12 C ATOM 254 C ILE A 518 6.011 -17.845 -33.043 1.00 73.02 C ATOM 255 O ILE A 518 6.488 -16.726 -33.240 1.00 44.30 O ATOM 256 CB ILE A 518 3.599 -17.576 -32.247 1.00 32.31 C ATOM 257 CG1 ILE A 518 3.731 -16.050 -32.170 1.00 55.03 C ATOM 258 CG2 ILE A 518 3.883 -18.222 -30.897 1.00 64.32 C ATOM 259 CD1 ILE A 518 2.942 -15.415 -31.056 1.00 50.25 C ATOM 0 H ILE A 518 4.026 -20.098 -32.702 1.00 22.24 H new ATOM 0 HA ILE A 518 4.267 -17.678 -34.305 1.00 63.12 H new ATOM 0 HB ILE A 518 2.568 -17.812 -32.512 1.00 32.31 H new ATOM 0 HG12 ILE A 518 4.783 -15.794 -32.046 1.00 55.03 H new ATOM 0 HG13 ILE A 518 3.408 -15.621 -33.119 1.00 55.03 H new ATOM 0 HG21 ILE A 518 3.222 -17.794 -30.143 1.00 64.32 H new ATOM 0 HG22 ILE A 518 3.710 -19.296 -30.964 1.00 64.32 H new ATOM 0 HG23 ILE A 518 4.920 -18.038 -30.617 1.00 64.32 H new ATOM 0 HD11 ILE A 518 3.092 -14.335 -31.074 1.00 50.25 H new ATOM 0 HD12 ILE A 518 1.883 -15.637 -31.188 1.00 50.25 H new ATOM 0 HD13 ILE A 518 3.279 -15.812 -30.099 1.00 50.25 H new ATOM 271 N GLY A 519 6.730 -18.828 -32.563 1.00 1.41 N ATOM 272 CA GLY A 519 8.113 -18.620 -32.214 1.00 74.11 C ATOM 273 C GLY A 519 8.280 -18.181 -30.779 1.00 33.40 C ATOM 274 O GLY A 519 8.663 -18.971 -29.915 1.00 2.34 O ATOM 0 H GLY A 519 6.384 -19.775 -32.406 1.00 1.41 H new ATOM 0 HA2 GLY A 519 8.670 -19.543 -32.377 1.00 74.11 H new ATOM 0 HA3 GLY A 519 8.543 -17.867 -32.875 1.00 74.11 H new ATOM 278 N ILE A 520 7.954 -16.942 -30.506 1.00 5.32 N ATOM 279 CA ILE A 520 8.099 -16.381 -29.175 1.00 63.33 C ATOM 280 C ILE A 520 6.827 -15.621 -28.885 1.00 35.12 C ATOM 281 O ILE A 520 6.196 -15.105 -29.817 1.00 3.25 O ATOM 282 CB ILE A 520 9.301 -15.356 -29.070 1.00 52.33 C ATOM 283 CG1 ILE A 520 10.620 -15.914 -29.641 1.00 74.14 C ATOM 284 CG2 ILE A 520 9.522 -14.929 -27.616 1.00 71.12 C ATOM 285 CD1 ILE A 520 11.201 -17.070 -28.866 1.00 53.33 C ATOM 0 H ILE A 520 7.580 -16.290 -31.196 1.00 5.32 H new ATOM 0 HA ILE A 520 8.294 -17.194 -28.475 1.00 63.33 H new ATOM 0 HB ILE A 520 9.017 -14.495 -29.675 1.00 52.33 H new ATOM 0 HG12 ILE A 520 10.449 -16.232 -30.669 1.00 74.14 H new ATOM 0 HG13 ILE A 520 11.355 -15.110 -29.674 1.00 74.14 H new ATOM 0 HG21 ILE A 520 10.352 -14.225 -27.566 1.00 71.12 H new ATOM 0 HG22 ILE A 520 8.619 -14.453 -27.235 1.00 71.12 H new ATOM 0 HG23 ILE A 520 9.753 -15.805 -27.010 1.00 71.12 H new ATOM 0 HD11 ILE A 520 12.127 -17.397 -29.340 1.00 53.33 H new ATOM 0 HD12 ILE A 520 11.408 -16.755 -27.843 1.00 53.33 H new ATOM 0 HD13 ILE A 520 10.489 -17.895 -28.854 1.00 53.33 H new ATOM 297 N MET A 521 6.422 -15.597 -27.653 1.00 42.10 N ATOM 298 CA MET A 521 5.302 -14.817 -27.236 1.00 71.33 C ATOM 299 C MET A 521 5.773 -13.887 -26.134 1.00 41.34 C ATOM 300 O MET A 521 6.677 -14.249 -25.363 1.00 71.03 O ATOM 301 CB MET A 521 4.139 -15.733 -26.807 1.00 32.34 C ATOM 302 CG MET A 521 4.489 -16.714 -25.702 1.00 42.12 C ATOM 303 SD MET A 521 4.417 -16.021 -24.049 1.00 3.24 S ATOM 304 CE MET A 521 2.670 -15.708 -23.880 1.00 52.45 C ATOM 0 H MET A 521 6.866 -16.125 -26.902 1.00 42.10 H new ATOM 0 HA MET A 521 4.911 -14.211 -28.054 1.00 71.33 H new ATOM 0 HB2 MET A 521 3.307 -15.112 -26.475 1.00 32.34 H new ATOM 0 HB3 MET A 521 3.793 -16.292 -27.676 1.00 32.34 H new ATOM 0 HG2 MET A 521 3.808 -17.563 -25.757 1.00 42.12 H new ATOM 0 HG3 MET A 521 5.493 -17.099 -25.879 1.00 42.12 H new ATOM 0 HE1 MET A 521 2.374 -15.848 -22.840 1.00 52.45 H new ATOM 0 HE2 MET A 521 2.453 -14.684 -24.185 1.00 52.45 H new ATOM 0 HE3 MET A 521 2.114 -16.400 -24.512 1.00 52.45 H new ATOM 314 N GLU A 522 5.217 -12.706 -26.091 1.00 13.44 N ATOM 315 CA GLU A 522 5.619 -11.689 -25.154 1.00 33.42 C ATOM 316 C GLU A 522 4.532 -11.411 -24.128 1.00 53.30 C ATOM 317 O GLU A 522 3.367 -11.178 -24.491 1.00 12.30 O ATOM 318 CB GLU A 522 5.962 -10.365 -25.867 1.00 25.11 C ATOM 319 CG GLU A 522 7.300 -10.297 -26.611 1.00 54.32 C ATOM 320 CD GLU A 522 7.341 -11.067 -27.905 1.00 40.11 C ATOM 321 OE1 GLU A 522 6.741 -10.604 -28.894 1.00 53.33 O ATOM 322 OE2 GLU A 522 7.998 -12.101 -27.983 1.00 62.31 O ATOM 0 H GLU A 522 4.462 -12.418 -26.714 1.00 13.44 H new ATOM 0 HA GLU A 522 6.506 -12.074 -24.651 1.00 33.42 H new ATOM 0 HB2 GLU A 522 5.167 -10.150 -26.581 1.00 25.11 H new ATOM 0 HB3 GLU A 522 5.948 -9.568 -25.124 1.00 25.11 H new ATOM 0 HG2 GLU A 522 7.532 -9.252 -26.818 1.00 54.32 H new ATOM 0 HG3 GLU A 522 8.085 -10.674 -25.955 1.00 54.32 H new ATOM 329 N VAL A 523 4.899 -11.438 -22.864 1.00 41.40 N ATOM 330 CA VAL A 523 3.998 -11.078 -21.786 1.00 1.23 C ATOM 331 C VAL A 523 4.579 -9.942 -20.977 1.00 13.43 C ATOM 332 O VAL A 523 5.517 -10.144 -20.214 1.00 15.42 O ATOM 333 CB VAL A 523 3.758 -12.240 -20.801 1.00 55.41 C ATOM 334 CG1 VAL A 523 2.744 -11.857 -19.740 1.00 13.20 C ATOM 335 CG2 VAL A 523 3.320 -13.463 -21.518 1.00 10.10 C ATOM 0 H VAL A 523 5.832 -11.710 -22.553 1.00 41.40 H new ATOM 0 HA VAL A 523 3.058 -10.802 -22.263 1.00 1.23 H new ATOM 0 HB VAL A 523 4.705 -12.453 -20.306 1.00 55.41 H new ATOM 0 HG11 VAL A 523 2.595 -12.695 -19.060 1.00 13.20 H new ATOM 0 HG12 VAL A 523 3.110 -10.996 -19.180 1.00 13.20 H new ATOM 0 HG13 VAL A 523 1.797 -11.603 -20.216 1.00 13.20 H new ATOM 0 HG21 VAL A 523 3.158 -14.267 -20.800 1.00 10.10 H new ATOM 0 HG22 VAL A 523 2.391 -13.259 -22.051 1.00 10.10 H new ATOM 0 HG23 VAL A 523 4.089 -13.762 -22.230 1.00 10.10 H new ATOM 345 N LYS A 524 4.079 -8.771 -21.164 1.00 52.24 N ATOM 346 CA LYS A 524 4.469 -7.679 -20.315 1.00 71.22 C ATOM 347 C LYS A 524 3.576 -7.677 -19.087 1.00 51.42 C ATOM 348 O LYS A 524 2.343 -7.769 -19.205 1.00 54.10 O ATOM 349 CB LYS A 524 4.456 -6.313 -21.037 1.00 23.11 C ATOM 350 CG LYS A 524 3.171 -5.974 -21.758 1.00 1.53 C ATOM 351 CD LYS A 524 3.138 -4.518 -22.209 1.00 60.13 C ATOM 352 CE LYS A 524 4.265 -4.187 -23.185 1.00 21.21 C ATOM 353 NZ LYS A 524 4.209 -2.784 -23.626 1.00 64.54 N ATOM 0 H LYS A 524 3.402 -8.536 -21.890 1.00 52.24 H new ATOM 0 HA LYS A 524 5.507 -7.829 -20.017 1.00 71.22 H new ATOM 0 HB2 LYS A 524 4.659 -5.532 -20.304 1.00 23.11 H new ATOM 0 HB3 LYS A 524 5.273 -6.294 -21.758 1.00 23.11 H new ATOM 0 HG2 LYS A 524 3.059 -6.625 -22.625 1.00 1.53 H new ATOM 0 HG3 LYS A 524 2.324 -6.170 -21.101 1.00 1.53 H new ATOM 0 HD2 LYS A 524 2.178 -4.308 -22.681 1.00 60.13 H new ATOM 0 HD3 LYS A 524 3.213 -3.868 -21.337 1.00 60.13 H new ATOM 0 HE2 LYS A 524 5.227 -4.381 -22.710 1.00 21.21 H new ATOM 0 HE3 LYS A 524 4.200 -4.844 -24.052 1.00 21.21 H new ATOM 0 HZ1 LYS A 524 4.989 -2.597 -24.287 1.00 64.54 H new ATOM 0 HZ2 LYS A 524 3.302 -2.606 -24.102 1.00 64.54 H new ATOM 0 HZ3 LYS A 524 4.296 -2.157 -22.801 1.00 64.54 H new ATOM 367 N VAL A 525 4.187 -7.630 -17.930 1.00 52.52 N ATOM 368 CA VAL A 525 3.450 -7.666 -16.679 1.00 25.23 C ATOM 369 C VAL A 525 3.081 -6.249 -16.262 1.00 5.23 C ATOM 370 O VAL A 525 3.922 -5.339 -16.299 1.00 3.12 O ATOM 371 CB VAL A 525 4.262 -8.375 -15.551 1.00 71.40 C ATOM 372 CG1 VAL A 525 3.461 -8.466 -14.263 1.00 32.32 C ATOM 373 CG2 VAL A 525 4.707 -9.763 -15.998 1.00 24.00 C ATOM 0 H VAL A 525 5.199 -7.566 -17.822 1.00 52.52 H new ATOM 0 HA VAL A 525 2.541 -8.246 -16.836 1.00 25.23 H new ATOM 0 HB VAL A 525 5.147 -7.771 -15.354 1.00 71.40 H new ATOM 0 HG11 VAL A 525 4.057 -8.965 -13.499 1.00 32.32 H new ATOM 0 HG12 VAL A 525 3.202 -7.463 -13.924 1.00 32.32 H new ATOM 0 HG13 VAL A 525 2.549 -9.035 -14.441 1.00 32.32 H new ATOM 0 HG21 VAL A 525 5.272 -10.240 -15.197 1.00 24.00 H new ATOM 0 HG22 VAL A 525 3.831 -10.367 -16.234 1.00 24.00 H new ATOM 0 HG23 VAL A 525 5.337 -9.676 -16.883 1.00 24.00 H new ATOM 383 N LEU A 526 1.846 -6.070 -15.877 1.00 63.43 N ATOM 384 CA LEU A 526 1.318 -4.772 -15.540 1.00 42.03 C ATOM 385 C LEU A 526 1.362 -4.552 -14.042 1.00 45.34 C ATOM 386 O LEU A 526 1.267 -5.507 -13.270 1.00 24.53 O ATOM 387 CB LEU A 526 -0.143 -4.689 -15.977 1.00 3.43 C ATOM 388 CG LEU A 526 -0.452 -4.968 -17.444 1.00 43.22 C ATOM 389 CD1 LEU A 526 -1.952 -4.925 -17.664 1.00 61.14 C ATOM 390 CD2 LEU A 526 0.252 -3.968 -18.352 1.00 53.02 C ATOM 0 H LEU A 526 1.170 -6.828 -15.787 1.00 63.43 H new ATOM 0 HA LEU A 526 1.922 -4.018 -16.045 1.00 42.03 H new ATOM 0 HB2 LEU A 526 -0.716 -5.392 -15.372 1.00 3.43 H new ATOM 0 HB3 LEU A 526 -0.510 -3.691 -15.739 1.00 3.43 H new ATOM 0 HG LEU A 526 -0.081 -5.961 -17.697 1.00 43.22 H new ATOM 0 HD11 LEU A 526 -2.172 -5.125 -18.713 1.00 61.14 H new ATOM 0 HD12 LEU A 526 -2.433 -5.680 -17.042 1.00 61.14 H new ATOM 0 HD13 LEU A 526 -2.331 -3.939 -17.395 1.00 61.14 H new ATOM 0 HD21 LEU A 526 0.014 -4.191 -19.392 1.00 53.02 H new ATOM 0 HD22 LEU A 526 -0.083 -2.959 -18.111 1.00 53.02 H new ATOM 0 HD23 LEU A 526 1.330 -4.038 -18.204 1.00 53.02 H new ATOM 402 N ARG A 527 1.523 -3.314 -13.636 1.00 71.22 N ATOM 403 CA ARG A 527 1.411 -2.949 -12.249 1.00 10.22 C ATOM 404 C ARG A 527 0.504 -1.760 -12.065 1.00 53.13 C ATOM 405 O ARG A 527 0.823 -0.637 -12.457 1.00 4.52 O ATOM 406 CB ARG A 527 2.732 -2.843 -11.460 1.00 70.02 C ATOM 407 CG ARG A 527 3.795 -1.918 -11.968 1.00 63.21 C ATOM 408 CD ARG A 527 4.426 -2.409 -13.237 1.00 43.32 C ATOM 409 NE ARG A 527 5.639 -1.679 -13.508 1.00 61.31 N ATOM 410 CZ ARG A 527 6.096 -1.377 -14.695 1.00 62.31 C ATOM 411 NH1 ARG A 527 5.367 -1.618 -15.785 1.00 61.52 N ATOM 412 NH2 ARG A 527 7.271 -0.804 -14.796 1.00 72.51 N ATOM 0 H ARG A 527 1.735 -2.535 -14.259 1.00 71.22 H new ATOM 0 HA ARG A 527 0.937 -3.810 -11.778 1.00 10.22 H new ATOM 0 HB2 ARG A 527 2.487 -2.539 -10.442 1.00 70.02 H new ATOM 0 HB3 ARG A 527 3.163 -3.842 -11.399 1.00 70.02 H new ATOM 0 HG2 ARG A 527 3.363 -0.932 -12.139 1.00 63.21 H new ATOM 0 HG3 ARG A 527 4.565 -1.801 -11.205 1.00 63.21 H new ATOM 0 HD2 ARG A 527 4.645 -3.474 -13.154 1.00 43.32 H new ATOM 0 HD3 ARG A 527 3.729 -2.291 -14.067 1.00 43.32 H new ATOM 0 HE ARG A 527 6.188 -1.372 -12.705 1.00 61.31 H new ATOM 0 HH11 ARG A 527 4.443 -2.042 -15.697 1.00 61.52 H new ATOM 0 HH12 ARG A 527 5.733 -1.379 -16.706 1.00 61.52 H new ATOM 0 HH21 ARG A 527 7.813 -0.601 -13.956 1.00 72.51 H new ATOM 0 HH22 ARG A 527 7.643 -0.562 -15.714 1.00 72.51 H new ATOM 426 N THR A 528 -0.644 -2.039 -11.501 1.00 53.52 N ATOM 427 CA THR A 528 -1.724 -1.088 -11.333 1.00 5.11 C ATOM 428 C THR A 528 -1.370 0.074 -10.386 1.00 1.30 C ATOM 429 O THR A 528 -1.648 1.240 -10.692 1.00 32.12 O ATOM 430 CB THR A 528 -2.953 -1.840 -10.800 1.00 0.30 C ATOM 431 OG1 THR A 528 -3.147 -3.020 -11.598 1.00 75.21 O ATOM 432 CG2 THR A 528 -4.206 -0.976 -10.870 1.00 70.53 C ATOM 0 H THR A 528 -0.864 -2.964 -11.132 1.00 53.52 H new ATOM 0 HA THR A 528 -1.925 -0.638 -12.305 1.00 5.11 H new ATOM 0 HB THR A 528 -2.780 -2.100 -9.756 1.00 0.30 H new ATOM 0 HG1 THR A 528 -3.928 -3.513 -11.269 1.00 75.21 H new ATOM 0 HG21 THR A 528 -5.057 -1.538 -10.485 1.00 70.53 H new ATOM 0 HG22 THR A 528 -4.063 -0.078 -10.269 1.00 70.53 H new ATOM 0 HG23 THR A 528 -4.396 -0.693 -11.905 1.00 70.53 H new ATOM 440 N SER A 529 -0.761 -0.239 -9.261 1.00 43.50 N ATOM 441 CA SER A 529 -0.449 0.762 -8.270 1.00 32.40 C ATOM 442 C SER A 529 0.711 1.669 -8.708 1.00 24.41 C ATOM 443 O SER A 529 0.687 2.878 -8.489 1.00 15.41 O ATOM 444 CB SER A 529 -0.166 0.074 -6.945 1.00 51.35 C ATOM 445 OG SER A 529 0.740 -1.003 -7.128 1.00 13.33 O ATOM 0 H SER A 529 -0.472 -1.185 -9.012 1.00 43.50 H new ATOM 0 HA SER A 529 -1.309 1.421 -8.151 1.00 32.40 H new ATOM 0 HB2 SER A 529 0.250 0.791 -6.238 1.00 51.35 H new ATOM 0 HB3 SER A 529 -1.097 -0.295 -6.514 1.00 51.35 H new ATOM 0 HG SER A 529 1.037 -1.332 -6.254 1.00 13.33 H new ATOM 451 N GLY A 530 1.699 1.081 -9.324 1.00 73.30 N ATOM 452 CA GLY A 530 2.836 1.817 -9.786 1.00 13.30 C ATOM 453 C GLY A 530 4.067 0.993 -9.624 1.00 1.31 C ATOM 454 O GLY A 530 3.962 -0.206 -9.369 1.00 43.20 O ATOM 0 H GLY A 530 1.736 0.080 -9.518 1.00 73.30 H new ATOM 0 HA2 GLY A 530 2.704 2.089 -10.833 1.00 13.30 H new ATOM 0 HA3 GLY A 530 2.932 2.746 -9.225 1.00 13.30 H new ATOM 458 N ALA A 531 5.216 1.611 -9.753 1.00 4.24 N ATOM 459 CA ALA A 531 6.484 0.929 -9.633 1.00 54.22 C ATOM 460 C ALA A 531 7.583 1.945 -9.404 1.00 55.54 C ATOM 461 O ALA A 531 7.826 2.812 -10.261 1.00 11.20 O ATOM 462 CB ALA A 531 6.775 0.122 -10.888 1.00 12.41 C ATOM 0 H ALA A 531 5.299 2.609 -9.946 1.00 4.24 H new ATOM 0 HA ALA A 531 6.440 0.244 -8.786 1.00 54.22 H new ATOM 0 HB1 ALA A 531 7.734 -0.385 -10.780 1.00 12.41 H new ATOM 0 HB2 ALA A 531 5.988 -0.618 -11.036 1.00 12.41 H new ATOM 0 HB3 ALA A 531 6.812 0.789 -11.749 1.00 12.41 H new ATOM 468 N ARG A 532 8.213 1.873 -8.264 1.00 25.52 N ATOM 469 CA ARG A 532 9.279 2.782 -7.927 1.00 30.20 C ATOM 470 C ARG A 532 10.172 2.088 -6.908 1.00 0.40 C ATOM 471 O ARG A 532 9.779 1.903 -5.750 1.00 61.23 O ATOM 472 CB ARG A 532 8.677 4.098 -7.347 1.00 32.41 C ATOM 473 CG ARG A 532 9.607 5.332 -7.295 1.00 50.03 C ATOM 474 CD ARG A 532 10.806 5.163 -6.368 1.00 52.40 C ATOM 475 NE ARG A 532 10.410 4.849 -4.989 1.00 33.23 N ATOM 476 CZ ARG A 532 11.265 4.678 -3.970 1.00 32.34 C ATOM 477 NH1 ARG A 532 12.572 4.877 -4.148 1.00 51.02 N ATOM 478 NH2 ARG A 532 10.810 4.321 -2.776 1.00 40.41 N ATOM 0 H ARG A 532 8.004 1.184 -7.541 1.00 25.52 H new ATOM 0 HA ARG A 532 9.866 3.046 -8.806 1.00 30.20 H new ATOM 0 HB2 ARG A 532 7.800 4.359 -7.939 1.00 32.41 H new ATOM 0 HB3 ARG A 532 8.328 3.894 -6.335 1.00 32.41 H new ATOM 0 HG2 ARG A 532 9.966 5.547 -8.302 1.00 50.03 H new ATOM 0 HG3 ARG A 532 9.029 6.197 -6.971 1.00 50.03 H new ATOM 0 HD2 ARG A 532 11.447 4.368 -6.749 1.00 52.40 H new ATOM 0 HD3 ARG A 532 11.397 6.079 -6.373 1.00 52.40 H new ATOM 0 HE ARG A 532 9.414 4.754 -4.792 1.00 33.23 H new ATOM 0 HH11 ARG A 532 12.925 5.160 -5.062 1.00 51.02 H new ATOM 0 HH12 ARG A 532 13.218 4.746 -3.370 1.00 51.02 H new ATOM 0 HH21 ARG A 532 9.810 4.177 -2.633 1.00 40.41 H new ATOM 0 HH22 ARG A 532 11.460 4.191 -2.001 1.00 40.41 H new ATOM 492 N GLY A 533 11.326 1.679 -7.340 1.00 74.41 N ATOM 493 CA GLY A 533 12.262 1.029 -6.454 1.00 10.40 C ATOM 494 C GLY A 533 13.049 -0.014 -7.186 1.00 42.13 C ATOM 495 O GLY A 533 13.462 0.211 -8.313 1.00 1.22 O ATOM 0 H GLY A 533 11.649 1.781 -8.302 1.00 74.41 H new ATOM 0 HA2 GLY A 533 12.939 1.769 -6.026 1.00 10.40 H new ATOM 0 HA3 GLY A 533 11.725 0.570 -5.624 1.00 10.40 H new ATOM 499 N ASN A 534 13.292 -1.124 -6.555 1.00 53.34 N ATOM 500 CA ASN A 534 13.933 -2.251 -7.201 1.00 65.40 C ATOM 501 C ASN A 534 13.178 -3.477 -6.762 1.00 34.24 C ATOM 502 O ASN A 534 13.351 -3.949 -5.636 1.00 15.53 O ATOM 503 CB ASN A 534 15.414 -2.354 -6.780 1.00 54.53 C ATOM 504 CG ASN A 534 16.225 -3.436 -7.494 1.00 22.43 C ATOM 505 OD1 ASN A 534 17.121 -4.028 -6.901 1.00 10.21 O ATOM 506 ND2 ASN A 534 16.002 -3.630 -8.767 1.00 12.10 N ATOM 0 H ASN A 534 13.054 -1.283 -5.576 1.00 53.34 H new ATOM 0 HA ASN A 534 13.916 -2.140 -8.285 1.00 65.40 H new ATOM 0 HB2 ASN A 534 15.892 -1.390 -6.956 1.00 54.53 H new ATOM 0 HB3 ASN A 534 15.457 -2.540 -5.707 1.00 54.53 H new ATOM 0 HD21 ASN A 534 16.580 -4.287 -9.292 1.00 12.10 H new ATOM 0 HD22 ASN A 534 15.250 -3.125 -9.236 1.00 12.10 H new ATOM 513 N VAL A 535 12.321 -3.965 -7.606 1.00 52.21 N ATOM 514 CA VAL A 535 11.473 -5.071 -7.253 1.00 73.43 C ATOM 515 C VAL A 535 11.677 -6.222 -8.220 1.00 12.33 C ATOM 516 O VAL A 535 11.683 -6.040 -9.437 1.00 61.30 O ATOM 517 CB VAL A 535 9.965 -4.650 -7.235 1.00 33.44 C ATOM 518 CG1 VAL A 535 9.074 -5.800 -6.797 1.00 30.35 C ATOM 519 CG2 VAL A 535 9.737 -3.438 -6.333 1.00 11.42 C ATOM 0 H VAL A 535 12.187 -3.613 -8.554 1.00 52.21 H new ATOM 0 HA VAL A 535 11.748 -5.393 -6.249 1.00 73.43 H new ATOM 0 HB VAL A 535 9.697 -4.376 -8.256 1.00 33.44 H new ATOM 0 HG11 VAL A 535 8.034 -5.474 -6.795 1.00 30.35 H new ATOM 0 HG12 VAL A 535 9.192 -6.635 -7.488 1.00 30.35 H new ATOM 0 HG13 VAL A 535 9.356 -6.117 -5.793 1.00 30.35 H new ATOM 0 HG21 VAL A 535 8.680 -3.171 -6.342 1.00 11.42 H new ATOM 0 HG22 VAL A 535 10.041 -3.680 -5.315 1.00 11.42 H new ATOM 0 HG23 VAL A 535 10.327 -2.597 -6.698 1.00 11.42 H new ATOM 529 N ILE A 536 11.874 -7.382 -7.679 1.00 34.32 N ATOM 530 CA ILE A 536 12.031 -8.565 -8.466 1.00 50.21 C ATOM 531 C ILE A 536 10.736 -9.344 -8.442 1.00 44.12 C ATOM 532 O ILE A 536 10.228 -9.683 -7.366 1.00 35.24 O ATOM 533 CB ILE A 536 13.184 -9.461 -7.954 1.00 64.13 C ATOM 534 CG1 ILE A 536 14.543 -8.748 -8.049 1.00 21.42 C ATOM 535 CG2 ILE A 536 13.215 -10.778 -8.701 1.00 52.42 C ATOM 536 CD1 ILE A 536 14.958 -8.350 -9.446 1.00 14.03 C ATOM 0 H ILE A 536 11.931 -7.537 -6.672 1.00 34.32 H new ATOM 0 HA ILE A 536 12.282 -8.263 -9.483 1.00 50.21 H new ATOM 0 HB ILE A 536 12.995 -9.667 -6.900 1.00 64.13 H new ATOM 0 HG12 ILE A 536 14.512 -7.854 -7.427 1.00 21.42 H new ATOM 0 HG13 ILE A 536 15.309 -9.401 -7.631 1.00 21.42 H new ATOM 0 HG21 ILE A 536 14.034 -11.391 -8.324 1.00 52.42 H new ATOM 0 HG22 ILE A 536 12.271 -11.302 -8.553 1.00 52.42 H new ATOM 0 HG23 ILE A 536 13.363 -10.590 -9.764 1.00 52.42 H new ATOM 0 HD11 ILE A 536 15.928 -7.855 -9.410 1.00 14.03 H new ATOM 0 HD12 ILE A 536 15.028 -9.239 -10.072 1.00 14.03 H new ATOM 0 HD13 ILE A 536 14.218 -7.668 -9.865 1.00 14.03 H new ATOM 548 N VAL A 537 10.215 -9.605 -9.602 1.00 13.31 N ATOM 549 CA VAL A 537 8.986 -10.338 -9.762 1.00 14.11 C ATOM 550 C VAL A 537 9.306 -11.706 -10.345 1.00 34.04 C ATOM 551 O VAL A 537 9.762 -11.805 -11.492 1.00 1.30 O ATOM 552 CB VAL A 537 8.023 -9.601 -10.724 1.00 72.31 C ATOM 553 CG1 VAL A 537 6.672 -10.311 -10.801 1.00 30.35 C ATOM 554 CG2 VAL A 537 7.843 -8.168 -10.285 1.00 71.14 C ATOM 0 H VAL A 537 10.636 -9.311 -10.483 1.00 13.31 H new ATOM 0 HA VAL A 537 8.505 -10.432 -8.788 1.00 14.11 H new ATOM 0 HB VAL A 537 8.464 -9.611 -11.721 1.00 72.31 H new ATOM 0 HG11 VAL A 537 6.016 -9.771 -11.484 1.00 30.35 H new ATOM 0 HG12 VAL A 537 6.816 -11.329 -11.164 1.00 30.35 H new ATOM 0 HG13 VAL A 537 6.219 -10.340 -9.810 1.00 30.35 H new ATOM 0 HG21 VAL A 537 7.164 -7.660 -10.970 1.00 71.14 H new ATOM 0 HG22 VAL A 537 7.427 -8.146 -9.278 1.00 71.14 H new ATOM 0 HG23 VAL A 537 8.808 -7.662 -10.290 1.00 71.14 H new ATOM 564 N PRO A 538 9.179 -12.757 -9.552 1.00 1.10 N ATOM 565 CA PRO A 538 9.365 -14.108 -10.037 1.00 32.11 C ATOM 566 C PRO A 538 8.137 -14.610 -10.811 1.00 43.12 C ATOM 567 O PRO A 538 6.991 -14.241 -10.506 1.00 42.43 O ATOM 568 CB PRO A 538 9.588 -14.953 -8.774 1.00 73.42 C ATOM 569 CG PRO A 538 9.371 -14.043 -7.599 1.00 3.43 C ATOM 570 CD PRO A 538 8.889 -12.712 -8.116 1.00 30.32 C ATOM 0 HA PRO A 538 10.200 -14.168 -10.734 1.00 32.11 H new ATOM 0 HB2 PRO A 538 8.895 -15.794 -8.744 1.00 73.42 H new ATOM 0 HB3 PRO A 538 10.595 -15.369 -8.760 1.00 73.42 H new ATOM 0 HG2 PRO A 538 8.639 -14.473 -6.916 1.00 3.43 H new ATOM 0 HG3 PRO A 538 10.297 -13.920 -7.038 1.00 3.43 H new ATOM 0 HD2 PRO A 538 7.824 -12.574 -7.929 1.00 30.32 H new ATOM 0 HD3 PRO A 538 9.407 -11.885 -7.631 1.00 30.32 H new ATOM 578 N TYR A 539 8.380 -15.422 -11.803 1.00 54.13 N ATOM 579 CA TYR A 539 7.333 -16.006 -12.622 1.00 31.53 C ATOM 580 C TYR A 539 7.721 -17.429 -12.907 1.00 52.51 C ATOM 581 O TYR A 539 8.913 -17.772 -12.786 1.00 33.00 O ATOM 582 CB TYR A 539 7.184 -15.247 -13.972 1.00 34.23 C ATOM 583 CG TYR A 539 8.418 -15.329 -14.876 1.00 51.22 C ATOM 584 CD1 TYR A 539 8.600 -16.397 -15.753 1.00 33.50 C ATOM 585 CD2 TYR A 539 9.401 -14.365 -14.827 1.00 1.42 C ATOM 586 CE1 TYR A 539 9.723 -16.495 -16.535 1.00 52.02 C ATOM 587 CE2 TYR A 539 10.530 -14.456 -15.621 1.00 5.32 C ATOM 588 CZ TYR A 539 10.686 -15.528 -16.466 1.00 43.21 C ATOM 589 OH TYR A 539 11.818 -15.632 -17.253 1.00 30.15 O ATOM 0 H TYR A 539 9.321 -15.706 -12.076 1.00 54.13 H new ATOM 0 HA TYR A 539 6.383 -15.944 -12.092 1.00 31.53 H new ATOM 0 HB2 TYR A 539 6.326 -15.650 -14.510 1.00 34.23 H new ATOM 0 HB3 TYR A 539 6.968 -14.199 -13.765 1.00 34.23 H new ATOM 0 HD1 TYR A 539 7.841 -17.163 -15.818 1.00 33.50 H new ATOM 0 HD2 TYR A 539 9.288 -13.525 -14.158 1.00 1.42 H new ATOM 0 HE1 TYR A 539 9.846 -17.334 -17.203 1.00 52.02 H new ATOM 0 HE2 TYR A 539 11.287 -13.687 -15.577 1.00 5.32 H new ATOM 0 HH TYR A 539 11.791 -16.473 -17.756 1.00 30.15 H new ATOM 599 N LYS A 540 6.773 -18.241 -13.322 1.00 21.44 N ATOM 600 CA LYS A 540 7.069 -19.607 -13.708 1.00 11.45 C ATOM 601 C LYS A 540 5.964 -20.207 -14.538 1.00 71.31 C ATOM 602 O LYS A 540 4.774 -19.886 -14.358 1.00 13.33 O ATOM 603 CB LYS A 540 7.376 -20.515 -12.510 1.00 53.43 C ATOM 604 CG LYS A 540 6.237 -20.661 -11.526 1.00 74.22 C ATOM 605 CD LYS A 540 6.568 -21.686 -10.474 1.00 74.45 C ATOM 606 CE LYS A 540 5.425 -21.860 -9.506 1.00 41.03 C ATOM 607 NZ LYS A 540 5.711 -22.916 -8.522 1.00 12.44 N ATOM 0 H LYS A 540 5.790 -17.981 -13.401 1.00 21.44 H new ATOM 0 HA LYS A 540 7.972 -19.548 -14.316 1.00 11.45 H new ATOM 0 HB2 LYS A 540 7.649 -21.503 -12.880 1.00 53.43 H new ATOM 0 HB3 LYS A 540 8.245 -20.120 -11.984 1.00 53.43 H new ATOM 0 HG2 LYS A 540 6.034 -19.700 -11.053 1.00 74.22 H new ATOM 0 HG3 LYS A 540 5.330 -20.955 -12.054 1.00 74.22 H new ATOM 0 HD2 LYS A 540 6.794 -22.640 -10.950 1.00 74.45 H new ATOM 0 HD3 LYS A 540 7.463 -21.380 -9.933 1.00 74.45 H new ATOM 0 HE2 LYS A 540 5.238 -20.919 -8.988 1.00 41.03 H new ATOM 0 HE3 LYS A 540 4.516 -22.108 -10.054 1.00 41.03 H new ATOM 0 HZ1 LYS A 540 4.906 -23.011 -7.871 1.00 12.44 H new ATOM 0 HZ2 LYS A 540 5.865 -23.818 -9.016 1.00 12.44 H new ATOM 0 HZ3 LYS A 540 6.565 -22.666 -7.983 1.00 12.44 H new ATOM 621 N THR A 541 6.359 -21.044 -15.457 1.00 1.23 N ATOM 622 CA THR A 541 5.460 -21.739 -16.311 1.00 54.34 C ATOM 623 C THR A 541 4.962 -23.027 -15.654 1.00 40.12 C ATOM 624 O THR A 541 5.739 -23.786 -15.074 1.00 41.01 O ATOM 625 CB THR A 541 6.154 -22.048 -17.652 1.00 55.20 C ATOM 626 OG1 THR A 541 7.480 -22.576 -17.406 1.00 11.21 O ATOM 627 CG2 THR A 541 6.266 -20.793 -18.497 1.00 63.22 C ATOM 0 H THR A 541 7.340 -21.261 -15.630 1.00 1.23 H new ATOM 0 HA THR A 541 4.593 -21.105 -16.495 1.00 54.34 H new ATOM 0 HB THR A 541 5.555 -22.784 -18.188 1.00 55.20 H new ATOM 0 HG1 THR A 541 7.408 -23.474 -17.020 1.00 11.21 H new ATOM 0 HG21 THR A 541 6.759 -21.032 -19.440 1.00 63.22 H new ATOM 0 HG22 THR A 541 5.270 -20.399 -18.698 1.00 63.22 H new ATOM 0 HG23 THR A 541 6.850 -20.045 -17.962 1.00 63.22 H new ATOM 635 N ILE A 542 3.685 -23.242 -15.729 1.00 72.10 N ATOM 636 CA ILE A 542 3.058 -24.424 -15.207 1.00 3.52 C ATOM 637 C ILE A 542 2.812 -25.349 -16.380 1.00 23.41 C ATOM 638 O ILE A 542 2.033 -25.017 -17.278 1.00 31.32 O ATOM 639 CB ILE A 542 1.691 -24.106 -14.544 1.00 3.32 C ATOM 640 CG1 ILE A 542 1.816 -23.003 -13.468 1.00 4.11 C ATOM 641 CG2 ILE A 542 1.067 -25.374 -13.958 1.00 32.33 C ATOM 642 CD1 ILE A 542 2.751 -23.335 -12.321 1.00 25.32 C ATOM 0 H ILE A 542 3.033 -22.589 -16.163 1.00 72.10 H new ATOM 0 HA ILE A 542 3.704 -24.868 -14.450 1.00 3.52 H new ATOM 0 HB ILE A 542 1.030 -23.724 -15.322 1.00 3.32 H new ATOM 0 HG12 ILE A 542 2.162 -22.086 -13.946 1.00 4.11 H new ATOM 0 HG13 ILE A 542 0.825 -22.797 -13.063 1.00 4.11 H new ATOM 0 HG21 ILE A 542 0.110 -25.129 -13.498 1.00 32.33 H new ATOM 0 HG22 ILE A 542 0.912 -26.104 -14.753 1.00 32.33 H new ATOM 0 HG23 ILE A 542 1.734 -25.794 -13.205 1.00 32.33 H new ATOM 0 HD11 ILE A 542 2.774 -22.503 -11.617 1.00 25.32 H new ATOM 0 HD12 ILE A 542 2.398 -24.231 -11.811 1.00 25.32 H new ATOM 0 HD13 ILE A 542 3.755 -23.510 -12.709 1.00 25.32 H new ATOM 654 N GLU A 543 3.469 -26.467 -16.389 1.00 21.24 N ATOM 655 CA GLU A 543 3.367 -27.411 -17.485 1.00 64.32 C ATOM 656 C GLU A 543 2.143 -28.288 -17.296 1.00 21.11 C ATOM 657 O GLU A 543 1.963 -28.889 -16.232 1.00 20.45 O ATOM 658 CB GLU A 543 4.631 -28.253 -17.537 1.00 61.21 C ATOM 659 CG GLU A 543 5.887 -27.425 -17.739 1.00 60.31 C ATOM 660 CD GLU A 543 7.140 -28.191 -17.452 1.00 62.20 C ATOM 661 OE1 GLU A 543 7.546 -29.027 -18.286 1.00 45.44 O ATOM 662 OE2 GLU A 543 7.740 -27.983 -16.360 1.00 11.13 O ATOM 0 H GLU A 543 4.096 -26.762 -15.640 1.00 21.24 H new ATOM 0 HA GLU A 543 3.260 -26.875 -18.428 1.00 64.32 H new ATOM 0 HB2 GLU A 543 4.721 -28.820 -16.611 1.00 61.21 H new ATOM 0 HB3 GLU A 543 4.546 -28.977 -18.347 1.00 61.21 H new ATOM 0 HG2 GLU A 543 5.916 -27.062 -18.766 1.00 60.31 H new ATOM 0 HG3 GLU A 543 5.847 -26.548 -17.092 1.00 60.31 H new ATOM 669 N GLY A 544 1.305 -28.343 -18.299 1.00 64.01 N ATOM 670 CA GLY A 544 0.101 -29.132 -18.209 1.00 53.25 C ATOM 671 C GLY A 544 -0.045 -30.056 -19.383 1.00 24.30 C ATOM 672 O GLY A 544 0.537 -31.125 -19.400 1.00 63.42 O ATOM 0 H GLY A 544 1.432 -27.853 -19.185 1.00 64.01 H new ATOM 0 HA2 GLY A 544 0.115 -29.714 -17.287 1.00 53.25 H new ATOM 0 HA3 GLY A 544 -0.764 -28.471 -18.156 1.00 53.25 H new ATOM 676 N THR A 545 -0.769 -29.625 -20.390 1.00 41.34 N ATOM 677 CA THR A 545 -0.968 -30.420 -21.592 1.00 44.44 C ATOM 678 C THR A 545 0.100 -30.081 -22.647 1.00 53.00 C ATOM 679 O THR A 545 -0.021 -30.396 -23.837 1.00 43.53 O ATOM 680 CB THR A 545 -2.390 -30.192 -22.146 1.00 11.52 C ATOM 681 OG1 THR A 545 -2.678 -28.781 -22.197 1.00 64.43 O ATOM 682 CG2 THR A 545 -3.429 -30.889 -21.279 1.00 22.55 C ATOM 0 H THR A 545 -1.237 -28.719 -20.405 1.00 41.34 H new ATOM 0 HA THR A 545 -0.863 -31.475 -21.340 1.00 44.44 H new ATOM 0 HB THR A 545 -2.434 -30.612 -23.151 1.00 11.52 H new ATOM 0 HG1 THR A 545 -3.582 -28.644 -22.551 1.00 64.43 H new ATOM 0 HG21 THR A 545 -4.423 -30.713 -21.690 1.00 22.55 H new ATOM 0 HG22 THR A 545 -3.228 -31.960 -21.261 1.00 22.55 H new ATOM 0 HG23 THR A 545 -3.381 -30.493 -20.264 1.00 22.55 H new ATOM 690 N ALA A 546 1.149 -29.463 -22.172 1.00 24.03 N ATOM 691 CA ALA A 546 2.273 -29.057 -22.957 1.00 12.02 C ATOM 692 C ALA A 546 3.494 -29.169 -22.068 1.00 15.21 C ATOM 693 O ALA A 546 3.441 -28.737 -20.904 1.00 4.20 O ATOM 694 CB ALA A 546 2.076 -27.620 -23.425 1.00 1.15 C ATOM 0 H ALA A 546 1.242 -29.221 -21.186 1.00 24.03 H new ATOM 0 HA ALA A 546 2.390 -29.682 -23.842 1.00 12.02 H new ATOM 0 HB1 ALA A 546 2.933 -27.311 -24.023 1.00 1.15 H new ATOM 0 HB2 ALA A 546 1.170 -27.555 -24.028 1.00 1.15 H new ATOM 0 HB3 ALA A 546 1.983 -26.965 -22.559 1.00 1.15 H new ATOM 700 N ARG A 547 4.564 -29.733 -22.573 1.00 62.21 N ATOM 701 CA ARG A 547 5.745 -29.946 -21.762 1.00 14.42 C ATOM 702 C ARG A 547 6.771 -28.873 -22.087 1.00 63.11 C ATOM 703 O ARG A 547 7.051 -28.583 -23.271 1.00 61.32 O ATOM 704 CB ARG A 547 6.304 -31.379 -21.974 1.00 53.25 C ATOM 705 CG ARG A 547 7.262 -31.881 -20.877 1.00 51.42 C ATOM 706 CD ARG A 547 8.682 -31.379 -21.063 1.00 25.31 C ATOM 707 NE ARG A 547 9.578 -31.824 -19.993 1.00 43.15 N ATOM 708 CZ ARG A 547 10.492 -32.796 -20.108 1.00 21.35 C ATOM 709 NH1 ARG A 547 10.491 -33.604 -21.176 1.00 65.42 N ATOM 710 NH2 ARG A 547 11.368 -32.997 -19.127 1.00 55.32 N ATOM 0 H ARG A 547 4.645 -30.053 -23.538 1.00 62.21 H new ATOM 0 HA ARG A 547 5.490 -29.865 -20.705 1.00 14.42 H new ATOM 0 HB2 ARG A 547 5.465 -32.071 -22.046 1.00 53.25 H new ATOM 0 HB3 ARG A 547 6.825 -31.410 -22.931 1.00 53.25 H new ATOM 0 HG2 ARG A 547 6.892 -31.560 -19.903 1.00 51.42 H new ATOM 0 HG3 ARG A 547 7.264 -32.971 -20.874 1.00 51.42 H new ATOM 0 HD2 ARG A 547 9.065 -31.728 -22.022 1.00 25.31 H new ATOM 0 HD3 ARG A 547 8.677 -30.290 -21.099 1.00 25.31 H new ATOM 0 HE ARG A 547 9.500 -31.357 -19.090 1.00 43.15 H new ATOM 0 HH11 ARG A 547 9.791 -33.481 -21.908 1.00 65.42 H new ATOM 0 HH12 ARG A 547 11.190 -34.342 -21.258 1.00 65.42 H new ATOM 0 HH21 ARG A 547 11.342 -32.412 -18.292 1.00 55.32 H new ATOM 0 HH22 ARG A 547 12.066 -33.736 -19.210 1.00 55.32 H new ATOM 724 N GLY A 548 7.327 -28.286 -21.059 1.00 5.22 N ATOM 725 CA GLY A 548 8.255 -27.221 -21.235 1.00 55.23 C ATOM 726 C GLY A 548 9.671 -27.695 -21.161 1.00 72.24 C ATOM 727 O GLY A 548 10.010 -28.537 -20.342 1.00 43.32 O ATOM 0 H GLY A 548 7.145 -28.537 -20.087 1.00 5.22 H new ATOM 0 HA2 GLY A 548 8.082 -26.745 -22.200 1.00 55.23 H new ATOM 0 HA3 GLY A 548 8.086 -26.463 -20.471 1.00 55.23 H new ATOM 731 N GLY A 549 10.483 -27.184 -22.030 1.00 33.23 N ATOM 732 CA GLY A 549 11.866 -27.551 -22.048 1.00 14.30 C ATOM 733 C GLY A 549 12.320 -27.960 -23.420 1.00 54.14 C ATOM 734 O GLY A 549 13.408 -28.511 -23.581 1.00 35.20 O ATOM 0 H GLY A 549 10.211 -26.506 -22.742 1.00 33.23 H new ATOM 0 HA2 GLY A 549 12.469 -26.711 -21.702 1.00 14.30 H new ATOM 0 HA3 GLY A 549 12.033 -28.372 -21.351 1.00 14.30 H new ATOM 738 N GLY A 550 11.489 -27.713 -24.416 1.00 61.12 N ATOM 739 CA GLY A 550 11.879 -28.037 -25.760 1.00 24.14 C ATOM 740 C GLY A 550 10.815 -28.760 -26.540 1.00 54.45 C ATOM 741 O GLY A 550 10.877 -28.809 -27.758 1.00 21.30 O ATOM 0 H GLY A 550 10.562 -27.299 -24.317 1.00 61.12 H new ATOM 0 HA2 GLY A 550 12.141 -27.118 -26.285 1.00 24.14 H new ATOM 0 HA3 GLY A 550 12.777 -28.654 -25.730 1.00 24.14 H new ATOM 745 N GLU A 551 9.834 -29.320 -25.855 1.00 3.34 N ATOM 746 CA GLU A 551 8.793 -30.065 -26.547 1.00 40.02 C ATOM 747 C GLU A 551 7.785 -29.137 -27.192 1.00 62.32 C ATOM 748 O GLU A 551 7.847 -28.878 -28.389 1.00 31.40 O ATOM 749 CB GLU A 551 8.094 -31.071 -25.634 1.00 13.40 C ATOM 750 CG GLU A 551 9.029 -32.084 -25.030 1.00 21.14 C ATOM 751 CD GLU A 551 8.317 -33.240 -24.402 1.00 11.14 C ATOM 752 OE1 GLU A 551 7.368 -33.782 -25.015 1.00 24.33 O ATOM 753 OE2 GLU A 551 8.727 -33.665 -23.300 1.00 3.23 O ATOM 0 H GLU A 551 9.734 -29.276 -24.841 1.00 3.34 H new ATOM 0 HA GLU A 551 9.289 -30.632 -27.334 1.00 40.02 H new ATOM 0 HB2 GLU A 551 7.588 -30.532 -24.833 1.00 13.40 H new ATOM 0 HB3 GLU A 551 7.324 -31.593 -26.203 1.00 13.40 H new ATOM 0 HG2 GLU A 551 9.701 -32.456 -25.804 1.00 21.14 H new ATOM 0 HG3 GLU A 551 9.648 -31.595 -24.278 1.00 21.14 H new ATOM 760 N ASP A 552 6.879 -28.630 -26.396 1.00 21.11 N ATOM 761 CA ASP A 552 5.862 -27.726 -26.891 1.00 32.41 C ATOM 762 C ASP A 552 6.378 -26.310 -26.733 1.00 71.13 C ATOM 763 O ASP A 552 6.271 -25.472 -27.629 1.00 4.22 O ATOM 764 CB ASP A 552 4.554 -27.894 -26.092 1.00 43.13 C ATOM 765 CG ASP A 552 4.007 -29.318 -26.085 1.00 12.53 C ATOM 766 OD1 ASP A 552 4.468 -30.135 -25.248 1.00 44.21 O ATOM 767 OD2 ASP A 552 3.098 -29.646 -26.885 1.00 45.33 O ATOM 0 H ASP A 552 6.821 -28.826 -25.397 1.00 21.11 H new ATOM 0 HA ASP A 552 5.651 -27.944 -27.938 1.00 32.41 H new ATOM 0 HB2 ASP A 552 4.726 -27.577 -25.063 1.00 43.13 H new ATOM 0 HB3 ASP A 552 3.798 -27.228 -26.508 1.00 43.13 H new ATOM 772 N PHE A 553 6.981 -26.061 -25.598 1.00 30.43 N ATOM 773 CA PHE A 553 7.538 -24.773 -25.296 1.00 5.23 C ATOM 774 C PHE A 553 8.806 -24.958 -24.484 1.00 40.30 C ATOM 775 O PHE A 553 9.158 -26.087 -24.124 1.00 30.21 O ATOM 776 CB PHE A 553 6.521 -23.876 -24.539 1.00 70.01 C ATOM 777 CG PHE A 553 6.132 -24.334 -23.146 1.00 70.04 C ATOM 778 CD1 PHE A 553 5.246 -25.383 -22.959 1.00 21.41 C ATOM 779 CD2 PHE A 553 6.649 -23.698 -22.025 1.00 11.20 C ATOM 780 CE1 PHE A 553 4.888 -25.784 -21.686 1.00 44.54 C ATOM 781 CE2 PHE A 553 6.289 -24.094 -20.755 1.00 62.35 C ATOM 782 CZ PHE A 553 5.410 -25.138 -20.585 1.00 25.41 C ATOM 0 H PHE A 553 7.098 -26.751 -24.856 1.00 30.43 H new ATOM 0 HA PHE A 553 7.776 -24.265 -26.230 1.00 5.23 H new ATOM 0 HB2 PHE A 553 6.938 -22.872 -24.466 1.00 70.01 H new ATOM 0 HB3 PHE A 553 5.615 -23.802 -25.141 1.00 70.01 H new ATOM 0 HD1 PHE A 553 4.831 -25.892 -23.816 1.00 21.41 H new ATOM 0 HD2 PHE A 553 7.344 -22.881 -22.150 1.00 11.20 H new ATOM 0 HE1 PHE A 553 4.198 -26.604 -21.553 1.00 44.54 H new ATOM 0 HE2 PHE A 553 6.697 -23.585 -19.894 1.00 62.35 H new ATOM 0 HZ PHE A 553 5.129 -25.452 -19.590 1.00 25.41 H new ATOM 792 N GLU A 554 9.492 -23.891 -24.233 1.00 64.12 N ATOM 793 CA GLU A 554 10.692 -23.887 -23.432 1.00 62.10 C ATOM 794 C GLU A 554 10.268 -23.318 -22.075 1.00 10.41 C ATOM 795 O GLU A 554 9.739 -22.203 -22.022 1.00 63.04 O ATOM 796 CB GLU A 554 11.710 -22.970 -24.138 1.00 31.05 C ATOM 797 CG GLU A 554 13.182 -23.274 -23.916 1.00 3.14 C ATOM 798 CD GLU A 554 13.646 -23.126 -22.512 1.00 63.22 C ATOM 799 OE1 GLU A 554 14.047 -22.011 -22.120 1.00 55.11 O ATOM 800 OE2 GLU A 554 13.685 -24.129 -21.794 1.00 63.13 O ATOM 0 H GLU A 554 9.234 -22.969 -24.585 1.00 64.12 H new ATOM 0 HA GLU A 554 11.148 -24.868 -23.303 1.00 62.10 H new ATOM 0 HB2 GLU A 554 11.514 -23.008 -25.210 1.00 31.05 H new ATOM 0 HB3 GLU A 554 11.523 -21.945 -23.816 1.00 31.05 H new ATOM 0 HG2 GLU A 554 13.381 -24.294 -24.243 1.00 3.14 H new ATOM 0 HG3 GLU A 554 13.774 -22.615 -24.551 1.00 3.14 H new ATOM 807 N ASP A 555 10.442 -24.078 -21.004 1.00 74.11 N ATOM 808 CA ASP A 555 9.932 -23.652 -19.697 1.00 15.32 C ATOM 809 C ASP A 555 10.779 -22.543 -19.142 1.00 20.21 C ATOM 810 O ASP A 555 12.002 -22.561 -19.261 1.00 31.13 O ATOM 811 CB ASP A 555 9.808 -24.814 -18.681 1.00 32.42 C ATOM 812 CG ASP A 555 11.124 -25.383 -18.191 1.00 50.22 C ATOM 813 OD1 ASP A 555 11.807 -26.080 -18.959 1.00 52.24 O ATOM 814 OD2 ASP A 555 11.490 -25.157 -17.006 1.00 31.25 O ATOM 0 H ASP A 555 10.923 -24.978 -21.006 1.00 74.11 H new ATOM 0 HA ASP A 555 8.919 -23.284 -19.861 1.00 15.32 H new ATOM 0 HB2 ASP A 555 9.238 -24.464 -17.820 1.00 32.42 H new ATOM 0 HB3 ASP A 555 9.231 -25.617 -19.140 1.00 32.42 H new ATOM 819 N THR A 556 10.146 -21.579 -18.556 1.00 5.12 N ATOM 820 CA THR A 556 10.849 -20.444 -18.082 1.00 1.50 C ATOM 821 C THR A 556 10.335 -20.004 -16.717 1.00 35.20 C ATOM 822 O THR A 556 9.119 -19.892 -16.479 1.00 50.41 O ATOM 823 CB THR A 556 10.844 -19.266 -19.136 1.00 15.00 C ATOM 824 OG1 THR A 556 11.571 -18.123 -18.660 1.00 34.31 O ATOM 825 CG2 THR A 556 9.434 -18.842 -19.551 1.00 1.32 C ATOM 0 H THR A 556 9.139 -21.560 -18.396 1.00 5.12 H new ATOM 0 HA THR A 556 11.891 -20.734 -17.951 1.00 1.50 H new ATOM 0 HB THR A 556 11.344 -19.664 -20.019 1.00 15.00 H new ATOM 0 HG1 THR A 556 11.603 -17.440 -19.362 1.00 34.31 H new ATOM 0 HG21 THR A 556 9.497 -18.030 -20.276 1.00 1.32 H new ATOM 0 HG22 THR A 556 8.916 -19.690 -20.000 1.00 1.32 H new ATOM 0 HG23 THR A 556 8.883 -18.503 -18.674 1.00 1.32 H new ATOM 833 N CYS A 557 11.258 -19.848 -15.815 1.00 44.03 N ATOM 834 CA CYS A 557 11.003 -19.339 -14.510 1.00 51.44 C ATOM 835 C CYS A 557 12.204 -18.527 -14.098 1.00 5.54 C ATOM 836 O CYS A 557 13.347 -18.958 -14.305 1.00 3.13 O ATOM 837 CB CYS A 557 10.719 -20.475 -13.516 1.00 41.32 C ATOM 838 SG CYS A 557 11.990 -21.752 -13.415 1.00 53.21 S ATOM 0 H CYS A 557 12.238 -20.080 -15.977 1.00 44.03 H new ATOM 0 HA CYS A 557 10.112 -18.710 -14.514 1.00 51.44 H new ATOM 0 HB2 CYS A 557 10.584 -20.042 -12.525 1.00 41.32 H new ATOM 0 HB3 CYS A 557 9.775 -20.947 -13.790 1.00 41.32 H new ATOM 0 HG CYS A 557 13.141 -21.246 -13.747 1.00 53.21 H new ATOM 844 N GLY A 558 11.986 -17.360 -13.578 1.00 12.21 N ATOM 845 CA GLY A 558 13.099 -16.542 -13.223 1.00 44.35 C ATOM 846 C GLY A 558 12.692 -15.275 -12.559 1.00 54.31 C ATOM 847 O GLY A 558 11.529 -15.118 -12.154 1.00 3.04 O ATOM 0 H GLY A 558 11.066 -16.959 -13.393 1.00 12.21 H new ATOM 0 HA2 GLY A 558 13.758 -17.101 -12.558 1.00 44.35 H new ATOM 0 HA3 GLY A 558 13.674 -16.309 -14.119 1.00 44.35 H new ATOM 851 N GLU A 559 13.625 -14.367 -12.488 1.00 4.52 N ATOM 852 CA GLU A 559 13.465 -13.123 -11.795 1.00 33.14 C ATOM 853 C GLU A 559 13.389 -11.952 -12.775 1.00 61.50 C ATOM 854 O GLU A 559 14.348 -11.690 -13.511 1.00 24.33 O ATOM 855 CB GLU A 559 14.669 -12.926 -10.870 1.00 34.13 C ATOM 856 CG GLU A 559 14.842 -13.993 -9.794 1.00 31.20 C ATOM 857 CD GLU A 559 16.059 -13.740 -8.932 1.00 61.25 C ATOM 858 OE1 GLU A 559 17.185 -14.024 -9.377 1.00 60.03 O ATOM 859 OE2 GLU A 559 15.920 -13.240 -7.803 1.00 2.04 O ATOM 0 H GLU A 559 14.541 -14.476 -12.923 1.00 4.52 H new ATOM 0 HA GLU A 559 12.536 -13.152 -11.225 1.00 33.14 H new ATOM 0 HB2 GLU A 559 15.573 -12.896 -11.478 1.00 34.13 H new ATOM 0 HB3 GLU A 559 14.579 -11.954 -10.384 1.00 34.13 H new ATOM 0 HG2 GLU A 559 13.952 -14.020 -9.165 1.00 31.20 H new ATOM 0 HG3 GLU A 559 14.929 -14.972 -10.266 1.00 31.20 H new ATOM 866 N LEU A 560 12.261 -11.279 -12.808 1.00 53.31 N ATOM 867 CA LEU A 560 12.106 -10.075 -13.603 1.00 13.22 C ATOM 868 C LEU A 560 12.409 -8.887 -12.735 1.00 73.35 C ATOM 869 O LEU A 560 11.980 -8.837 -11.586 1.00 12.32 O ATOM 870 CB LEU A 560 10.680 -9.934 -14.106 1.00 12.11 C ATOM 871 CG LEU A 560 10.175 -11.013 -15.041 1.00 72.30 C ATOM 872 CD1 LEU A 560 8.699 -10.831 -15.299 1.00 52.02 C ATOM 873 CD2 LEU A 560 10.947 -11.004 -16.349 1.00 61.45 C ATOM 0 H LEU A 560 11.426 -11.547 -12.287 1.00 53.31 H new ATOM 0 HA LEU A 560 12.783 -10.133 -14.456 1.00 13.22 H new ATOM 0 HB2 LEU A 560 10.017 -9.896 -13.241 1.00 12.11 H new ATOM 0 HB3 LEU A 560 10.593 -8.975 -14.616 1.00 12.11 H new ATOM 0 HG LEU A 560 10.332 -11.980 -14.563 1.00 72.30 H new ATOM 0 HD11 LEU A 560 8.348 -11.613 -15.973 1.00 52.02 H new ATOM 0 HD12 LEU A 560 8.155 -10.893 -14.357 1.00 52.02 H new ATOM 0 HD13 LEU A 560 8.527 -9.856 -15.754 1.00 52.02 H new ATOM 0 HD21 LEU A 560 10.565 -11.788 -17.002 1.00 61.45 H new ATOM 0 HD22 LEU A 560 10.827 -10.036 -16.835 1.00 61.45 H new ATOM 0 HD23 LEU A 560 12.004 -11.181 -16.149 1.00 61.45 H new ATOM 885 N GLU A 561 13.115 -7.939 -13.264 1.00 35.21 N ATOM 886 CA GLU A 561 13.449 -6.773 -12.495 1.00 74.14 C ATOM 887 C GLU A 561 12.623 -5.572 -12.900 1.00 21.31 C ATOM 888 O GLU A 561 12.850 -4.954 -13.938 1.00 14.44 O ATOM 889 CB GLU A 561 14.943 -6.450 -12.546 1.00 5.12 C ATOM 890 CG GLU A 561 15.311 -5.224 -11.728 1.00 44.05 C ATOM 891 CD GLU A 561 16.781 -4.933 -11.711 1.00 21.23 C ATOM 892 OE1 GLU A 561 17.326 -4.474 -12.733 1.00 62.33 O ATOM 893 OE2 GLU A 561 17.407 -5.088 -10.650 1.00 71.21 O ATOM 0 H GLU A 561 13.472 -7.944 -14.220 1.00 35.21 H new ATOM 0 HA GLU A 561 13.204 -7.012 -11.460 1.00 74.14 H new ATOM 0 HB2 GLU A 561 15.508 -7.308 -12.180 1.00 5.12 H new ATOM 0 HB3 GLU A 561 15.240 -6.291 -13.583 1.00 5.12 H new ATOM 0 HG2 GLU A 561 14.782 -4.359 -12.128 1.00 44.05 H new ATOM 0 HG3 GLU A 561 14.965 -5.364 -10.704 1.00 44.05 H new ATOM 900 N PHE A 562 11.662 -5.270 -12.106 1.00 64.43 N ATOM 901 CA PHE A 562 10.883 -4.098 -12.294 1.00 5.44 C ATOM 902 C PHE A 562 11.360 -3.057 -11.325 1.00 23.01 C ATOM 903 O PHE A 562 11.079 -3.129 -10.130 1.00 12.01 O ATOM 904 CB PHE A 562 9.394 -4.342 -12.079 1.00 70.45 C ATOM 905 CG PHE A 562 8.645 -5.009 -13.206 1.00 54.24 C ATOM 906 CD1 PHE A 562 8.045 -4.240 -14.186 1.00 41.15 C ATOM 907 CD2 PHE A 562 8.467 -6.379 -13.242 1.00 41.12 C ATOM 908 CE1 PHE A 562 7.294 -4.816 -15.178 1.00 34.21 C ATOM 909 CE2 PHE A 562 7.699 -6.963 -14.227 1.00 2.13 C ATOM 910 CZ PHE A 562 7.112 -6.175 -15.198 1.00 20.31 C ATOM 0 H PHE A 562 11.390 -5.833 -11.300 1.00 64.43 H new ATOM 0 HA PHE A 562 11.007 -3.771 -13.326 1.00 5.44 H new ATOM 0 HB2 PHE A 562 9.275 -4.953 -11.184 1.00 70.45 H new ATOM 0 HB3 PHE A 562 8.918 -3.383 -11.876 1.00 70.45 H new ATOM 0 HD1 PHE A 562 8.170 -3.167 -14.170 1.00 41.15 H new ATOM 0 HD2 PHE A 562 8.934 -6.999 -12.491 1.00 41.12 H new ATOM 0 HE1 PHE A 562 6.846 -4.200 -15.943 1.00 34.21 H new ATOM 0 HE2 PHE A 562 7.557 -8.034 -14.239 1.00 2.13 H new ATOM 0 HZ PHE A 562 6.511 -6.629 -15.972 1.00 20.31 H new ATOM 920 N GLN A 563 12.158 -2.154 -11.801 1.00 61.54 N ATOM 921 CA GLN A 563 12.582 -1.071 -10.974 1.00 25.54 C ATOM 922 C GLN A 563 11.542 0.013 -10.939 1.00 22.43 C ATOM 923 O GLN A 563 10.729 0.079 -10.019 1.00 23.11 O ATOM 924 CB GLN A 563 13.946 -0.532 -11.367 1.00 4.52 C ATOM 925 CG GLN A 563 15.080 -1.372 -10.840 1.00 20.33 C ATOM 926 CD GLN A 563 16.437 -0.813 -11.150 1.00 3.43 C ATOM 927 OE1 GLN A 563 16.613 0.390 -11.296 1.00 32.23 O ATOM 928 NE2 GLN A 563 17.407 -1.663 -11.197 1.00 33.34 N ATOM 0 H GLN A 563 12.527 -2.145 -12.752 1.00 61.54 H new ATOM 0 HA GLN A 563 12.695 -1.465 -9.964 1.00 25.54 H new ATOM 0 HB2 GLN A 563 14.012 -0.481 -12.454 1.00 4.52 H new ATOM 0 HB3 GLN A 563 14.050 0.487 -10.993 1.00 4.52 H new ATOM 0 HG2 GLN A 563 14.976 -1.471 -9.760 1.00 20.33 H new ATOM 0 HG3 GLN A 563 15.005 -2.375 -11.261 1.00 20.33 H new ATOM 0 HE21 GLN A 563 17.220 -2.658 -11.071 1.00 33.34 H new ATOM 0 HE22 GLN A 563 18.361 -1.340 -11.361 1.00 33.34 H new ATOM 937 N ASN A 564 11.545 0.851 -11.923 1.00 3.25 N ATOM 938 CA ASN A 564 10.562 1.869 -11.991 1.00 25.44 C ATOM 939 C ASN A 564 9.518 1.575 -13.017 1.00 51.13 C ATOM 940 O ASN A 564 9.575 0.566 -13.736 1.00 54.54 O ATOM 941 CB ASN A 564 11.165 3.242 -12.202 1.00 13.34 C ATOM 942 CG ASN A 564 11.648 3.885 -10.922 1.00 22.51 C ATOM 943 OD1 ASN A 564 12.083 3.217 -9.980 1.00 4.23 O ATOM 944 ND2 ASN A 564 11.542 5.173 -10.865 1.00 54.35 N ATOM 0 H ASN A 564 12.219 0.847 -12.689 1.00 3.25 H new ATOM 0 HA ASN A 564 10.071 1.880 -11.018 1.00 25.44 H new ATOM 0 HB2 ASN A 564 12.000 3.162 -12.898 1.00 13.34 H new ATOM 0 HB3 ASN A 564 10.423 3.890 -12.668 1.00 13.34 H new ATOM 0 HD21 ASN A 564 11.823 5.671 -10.020 1.00 54.35 H new ATOM 0 HD22 ASN A 564 11.178 5.691 -11.665 1.00 54.35 H new ATOM 951 N ASP A 565 8.557 2.450 -13.082 1.00 15.02 N ATOM 952 CA ASP A 565 7.433 2.334 -14.001 1.00 72.11 C ATOM 953 C ASP A 565 7.829 2.683 -15.443 1.00 71.22 C ATOM 954 O ASP A 565 7.144 2.310 -16.392 1.00 0.22 O ATOM 955 CB ASP A 565 6.281 3.223 -13.526 1.00 24.42 C ATOM 956 CG ASP A 565 5.047 3.095 -14.382 1.00 23.24 C ATOM 957 OD1 ASP A 565 4.252 2.165 -14.156 1.00 35.21 O ATOM 958 OD2 ASP A 565 4.847 3.926 -15.294 1.00 2.12 O ATOM 0 H ASP A 565 8.520 3.282 -12.494 1.00 15.02 H new ATOM 0 HA ASP A 565 7.108 1.293 -14.004 1.00 72.11 H new ATOM 0 HB2 ASP A 565 6.031 2.965 -12.497 1.00 24.42 H new ATOM 0 HB3 ASP A 565 6.609 4.263 -13.524 1.00 24.42 H new ATOM 963 N GLU A 566 8.967 3.335 -15.602 1.00 11.32 N ATOM 964 CA GLU A 566 9.427 3.786 -16.914 1.00 70.24 C ATOM 965 C GLU A 566 9.865 2.633 -17.827 1.00 65.51 C ATOM 966 O GLU A 566 9.935 2.791 -19.034 1.00 60.24 O ATOM 967 CB GLU A 566 10.521 4.840 -16.767 1.00 0.34 C ATOM 968 CG GLU A 566 11.724 4.395 -15.959 1.00 61.14 C ATOM 969 CD GLU A 566 12.690 5.518 -15.740 1.00 63.41 C ATOM 970 OE1 GLU A 566 12.546 6.251 -14.748 1.00 21.11 O ATOM 971 OE2 GLU A 566 13.607 5.706 -16.569 1.00 43.52 O ATOM 0 H GLU A 566 9.598 3.568 -14.835 1.00 11.32 H new ATOM 0 HA GLU A 566 8.572 4.245 -17.410 1.00 70.24 H new ATOM 0 HB2 GLU A 566 10.857 5.136 -17.761 1.00 0.34 H new ATOM 0 HB3 GLU A 566 10.093 5.726 -16.298 1.00 0.34 H new ATOM 0 HG2 GLU A 566 11.392 4.007 -14.996 1.00 61.14 H new ATOM 0 HG3 GLU A 566 12.227 3.578 -16.475 1.00 61.14 H new ATOM 978 N ILE A 567 10.158 1.495 -17.250 1.00 73.45 N ATOM 979 CA ILE A 567 10.512 0.314 -18.025 1.00 24.34 C ATOM 980 C ILE A 567 9.410 -0.708 -17.837 1.00 30.40 C ATOM 981 O ILE A 567 8.555 -0.511 -17.001 1.00 1.51 O ATOM 982 CB ILE A 567 11.863 -0.315 -17.570 1.00 63.50 C ATOM 983 CG1 ILE A 567 11.768 -0.844 -16.120 1.00 62.44 C ATOM 984 CG2 ILE A 567 12.985 0.715 -17.694 1.00 61.54 C ATOM 985 CD1 ILE A 567 12.985 -1.622 -15.664 1.00 1.23 C ATOM 0 H ILE A 567 10.161 1.353 -16.240 1.00 73.45 H new ATOM 0 HA ILE A 567 10.626 0.608 -19.068 1.00 24.34 H new ATOM 0 HB ILE A 567 12.086 -1.161 -18.219 1.00 63.50 H new ATOM 0 HG12 ILE A 567 11.616 -0.001 -15.446 1.00 62.44 H new ATOM 0 HG13 ILE A 567 10.889 -1.483 -16.035 1.00 62.44 H new ATOM 0 HG21 ILE A 567 13.926 0.268 -17.374 1.00 61.54 H new ATOM 0 HG22 ILE A 567 13.070 1.037 -18.732 1.00 61.54 H new ATOM 0 HG23 ILE A 567 12.760 1.576 -17.065 1.00 61.54 H new ATOM 0 HD11 ILE A 567 12.839 -1.958 -14.637 1.00 1.23 H new ATOM 0 HD12 ILE A 567 13.128 -2.487 -16.312 1.00 1.23 H new ATOM 0 HD13 ILE A 567 13.866 -0.982 -15.714 1.00 1.23 H new ATOM 997 N VAL A 568 9.401 -1.752 -18.602 1.00 14.53 N ATOM 998 CA VAL A 568 8.444 -2.811 -18.408 1.00 34.53 C ATOM 999 C VAL A 568 9.120 -4.134 -18.726 1.00 63.34 C ATOM 1000 O VAL A 568 9.978 -4.204 -19.605 1.00 22.44 O ATOM 1001 CB VAL A 568 7.124 -2.619 -19.251 1.00 61.03 C ATOM 1002 CG1 VAL A 568 7.353 -2.758 -20.746 1.00 32.24 C ATOM 1003 CG2 VAL A 568 6.016 -3.554 -18.777 1.00 21.54 C ATOM 0 H VAL A 568 10.049 -1.901 -19.376 1.00 14.53 H new ATOM 0 HA VAL A 568 8.121 -2.795 -17.367 1.00 34.53 H new ATOM 0 HB VAL A 568 6.800 -1.593 -19.078 1.00 61.03 H new ATOM 0 HG11 VAL A 568 6.410 -2.616 -21.273 1.00 32.24 H new ATOM 0 HG12 VAL A 568 8.070 -2.006 -21.076 1.00 32.24 H new ATOM 0 HG13 VAL A 568 7.744 -3.752 -20.963 1.00 32.24 H new ATOM 0 HG21 VAL A 568 5.122 -3.394 -19.380 1.00 21.54 H new ATOM 0 HG22 VAL A 568 6.344 -4.588 -18.881 1.00 21.54 H new ATOM 0 HG23 VAL A 568 5.789 -3.349 -17.731 1.00 21.54 H new ATOM 1013 N LYS A 569 8.790 -5.149 -17.985 1.00 71.21 N ATOM 1014 CA LYS A 569 9.365 -6.441 -18.195 1.00 25.23 C ATOM 1015 C LYS A 569 8.456 -7.295 -18.976 1.00 74.20 C ATOM 1016 O LYS A 569 7.226 -7.250 -18.808 1.00 3.01 O ATOM 1017 CB LYS A 569 9.772 -7.119 -16.896 1.00 1.22 C ATOM 1018 CG LYS A 569 10.995 -6.543 -16.265 1.00 20.21 C ATOM 1019 CD LYS A 569 12.164 -6.826 -17.127 1.00 65.30 C ATOM 1020 CE LYS A 569 13.439 -6.293 -16.579 1.00 51.03 C ATOM 1021 NZ LYS A 569 14.579 -6.689 -17.418 1.00 10.22 N ATOM 0 H LYS A 569 8.116 -5.104 -17.220 1.00 71.21 H new ATOM 0 HA LYS A 569 10.281 -6.292 -18.767 1.00 25.23 H new ATOM 0 HB2 LYS A 569 8.945 -7.051 -16.189 1.00 1.22 H new ATOM 0 HB3 LYS A 569 9.940 -8.178 -17.089 1.00 1.22 H new ATOM 0 HG2 LYS A 569 10.878 -5.468 -16.131 1.00 20.21 H new ATOM 0 HG3 LYS A 569 11.145 -6.973 -15.275 1.00 20.21 H new ATOM 0 HD2 LYS A 569 12.256 -7.904 -17.261 1.00 65.30 H new ATOM 0 HD3 LYS A 569 11.992 -6.396 -18.114 1.00 65.30 H new ATOM 0 HE2 LYS A 569 13.387 -5.206 -16.519 1.00 51.03 H new ATOM 0 HE3 LYS A 569 13.585 -6.661 -15.564 1.00 51.03 H new ATOM 0 HZ1 LYS A 569 15.457 -6.305 -17.014 1.00 10.22 H new ATOM 0 HZ2 LYS A 569 14.640 -7.727 -17.454 1.00 10.22 H new ATOM 0 HZ3 LYS A 569 14.448 -6.316 -18.380 1.00 10.22 H new ATOM 1035 N ILE A 570 9.048 -8.063 -19.818 1.00 65.33 N ATOM 1036 CA ILE A 570 8.322 -8.902 -20.714 1.00 21.43 C ATOM 1037 C ILE A 570 8.850 -10.316 -20.630 1.00 3.21 C ATOM 1038 O ILE A 570 10.057 -10.545 -20.678 1.00 62.31 O ATOM 1039 CB ILE A 570 8.397 -8.405 -22.195 1.00 44.12 C ATOM 1040 CG1 ILE A 570 7.967 -6.929 -22.296 1.00 22.34 C ATOM 1041 CG2 ILE A 570 7.514 -9.265 -23.081 1.00 61.21 C ATOM 1042 CD1 ILE A 570 7.796 -6.410 -23.720 1.00 44.43 C ATOM 0 H ILE A 570 10.062 -8.131 -19.909 1.00 65.33 H new ATOM 0 HA ILE A 570 7.276 -8.868 -20.410 1.00 21.43 H new ATOM 0 HB ILE A 570 9.430 -8.489 -22.533 1.00 44.12 H new ATOM 0 HG12 ILE A 570 7.025 -6.802 -21.762 1.00 22.34 H new ATOM 0 HG13 ILE A 570 8.708 -6.313 -21.786 1.00 22.34 H new ATOM 0 HG21 ILE A 570 7.574 -8.909 -24.110 1.00 61.21 H new ATOM 0 HG22 ILE A 570 7.851 -10.301 -23.035 1.00 61.21 H new ATOM 0 HG23 ILE A 570 6.482 -9.203 -22.736 1.00 61.21 H new ATOM 0 HD11 ILE A 570 7.493 -5.363 -23.692 1.00 44.43 H new ATOM 0 HD12 ILE A 570 8.741 -6.500 -24.256 1.00 44.43 H new ATOM 0 HD13 ILE A 570 7.032 -6.996 -24.231 1.00 44.43 H new ATOM 1054 N ILE A 571 7.961 -11.237 -20.476 1.00 24.23 N ATOM 1055 CA ILE A 571 8.298 -12.623 -20.441 1.00 11.20 C ATOM 1056 C ILE A 571 8.230 -13.131 -21.852 1.00 23.22 C ATOM 1057 O ILE A 571 7.234 -12.908 -22.540 1.00 1.20 O ATOM 1058 CB ILE A 571 7.288 -13.422 -19.580 1.00 61.54 C ATOM 1059 CG1 ILE A 571 7.131 -12.740 -18.213 1.00 55.14 C ATOM 1060 CG2 ILE A 571 7.779 -14.864 -19.415 1.00 30.24 C ATOM 1061 CD1 ILE A 571 6.059 -13.330 -17.336 1.00 22.10 C ATOM 0 H ILE A 571 6.964 -11.048 -20.369 1.00 24.23 H new ATOM 0 HA ILE A 571 9.290 -12.748 -20.007 1.00 11.20 H new ATOM 0 HB ILE A 571 6.316 -13.443 -20.074 1.00 61.54 H new ATOM 0 HG12 ILE A 571 8.083 -12.792 -17.685 1.00 55.14 H new ATOM 0 HG13 ILE A 571 6.911 -11.684 -18.372 1.00 55.14 H new ATOM 0 HG21 ILE A 571 7.067 -15.424 -18.809 1.00 30.24 H new ATOM 0 HG22 ILE A 571 7.868 -15.332 -20.395 1.00 30.24 H new ATOM 0 HG23 ILE A 571 8.752 -14.863 -18.923 1.00 30.24 H new ATOM 0 HD11 ILE A 571 6.020 -12.786 -16.392 1.00 22.10 H new ATOM 0 HD12 ILE A 571 5.095 -13.254 -17.839 1.00 22.10 H new ATOM 0 HD13 ILE A 571 6.285 -14.378 -17.141 1.00 22.10 H new ATOM 1073 N THR A 572 9.276 -13.739 -22.290 1.00 12.13 N ATOM 1074 CA THR A 572 9.329 -14.292 -23.602 1.00 23.34 C ATOM 1075 C THR A 572 9.392 -15.789 -23.507 1.00 55.20 C ATOM 1076 O THR A 572 10.354 -16.352 -22.973 1.00 12.11 O ATOM 1077 CB THR A 572 10.524 -13.727 -24.414 1.00 40.13 C ATOM 1078 OG1 THR A 572 11.748 -13.788 -23.649 1.00 4.42 O ATOM 1079 CG2 THR A 572 10.250 -12.296 -24.822 1.00 3.54 C ATOM 0 H THR A 572 10.128 -13.869 -21.744 1.00 12.13 H new ATOM 0 HA THR A 572 8.425 -14.006 -24.139 1.00 23.34 H new ATOM 0 HB THR A 572 10.643 -14.341 -25.306 1.00 40.13 H new ATOM 0 HG1 THR A 572 11.781 -14.632 -23.152 1.00 4.42 H new ATOM 0 HG21 THR A 572 11.096 -11.911 -25.391 1.00 3.54 H new ATOM 0 HG22 THR A 572 9.352 -12.259 -25.438 1.00 3.54 H new ATOM 0 HG23 THR A 572 10.104 -11.685 -23.931 1.00 3.54 H new ATOM 1087 N ILE A 573 8.364 -16.439 -23.956 1.00 60.15 N ATOM 1088 CA ILE A 573 8.340 -17.860 -23.901 1.00 51.33 C ATOM 1089 C ILE A 573 8.599 -18.398 -25.272 1.00 3.42 C ATOM 1090 O ILE A 573 7.940 -17.999 -26.251 1.00 41.04 O ATOM 1091 CB ILE A 573 6.999 -18.397 -23.364 1.00 21.42 C ATOM 1092 CG1 ILE A 573 6.721 -17.792 -21.989 1.00 0.51 C ATOM 1093 CG2 ILE A 573 7.031 -19.928 -23.274 1.00 63.42 C ATOM 1094 CD1 ILE A 573 5.362 -18.120 -21.458 1.00 33.52 C ATOM 0 H ILE A 573 7.535 -16.007 -24.363 1.00 60.15 H new ATOM 0 HA ILE A 573 9.115 -18.191 -23.210 1.00 51.33 H new ATOM 0 HB ILE A 573 6.202 -18.112 -24.050 1.00 21.42 H new ATOM 0 HG12 ILE A 573 7.473 -18.148 -21.285 1.00 0.51 H new ATOM 0 HG13 ILE A 573 6.828 -16.709 -22.049 1.00 0.51 H new ATOM 0 HG21 ILE A 573 6.076 -20.290 -22.893 1.00 63.42 H new ATOM 0 HG22 ILE A 573 7.209 -20.347 -24.264 1.00 63.42 H new ATOM 0 HG23 ILE A 573 7.831 -20.236 -22.601 1.00 63.42 H new ATOM 0 HD11 ILE A 573 5.233 -17.658 -20.479 1.00 33.52 H new ATOM 0 HD12 ILE A 573 4.603 -17.740 -22.142 1.00 33.52 H new ATOM 0 HD13 ILE A 573 5.259 -19.201 -21.366 1.00 33.52 H new ATOM 1106 N ARG A 574 9.577 -19.253 -25.355 1.00 24.50 N ATOM 1107 CA ARG A 574 9.956 -19.845 -26.593 1.00 71.43 C ATOM 1108 C ARG A 574 8.973 -20.961 -26.886 1.00 62.31 C ATOM 1109 O ARG A 574 8.967 -21.989 -26.208 1.00 42.21 O ATOM 1110 CB ARG A 574 11.378 -20.414 -26.499 1.00 43.24 C ATOM 1111 CG ARG A 574 12.202 -20.354 -27.783 1.00 14.24 C ATOM 1112 CD ARG A 574 11.562 -21.090 -28.939 1.00 4.41 C ATOM 1113 NE ARG A 574 12.406 -21.058 -30.142 1.00 14.23 N ATOM 1114 CZ ARG A 574 11.985 -21.343 -31.391 1.00 44.31 C ATOM 1115 NH1 ARG A 574 10.703 -21.574 -31.629 1.00 24.53 N ATOM 1116 NH2 ARG A 574 12.853 -21.368 -32.406 1.00 35.22 N ATOM 0 H ARG A 574 10.134 -19.557 -24.557 1.00 24.50 H new ATOM 0 HA ARG A 574 9.943 -19.100 -27.388 1.00 71.43 H new ATOM 0 HB2 ARG A 574 11.915 -19.874 -25.719 1.00 43.24 H new ATOM 0 HB3 ARG A 574 11.313 -21.454 -26.179 1.00 43.24 H new ATOM 0 HG2 ARG A 574 12.351 -19.311 -28.063 1.00 14.24 H new ATOM 0 HG3 ARG A 574 13.189 -20.777 -27.594 1.00 14.24 H new ATOM 0 HD2 ARG A 574 11.377 -22.125 -28.653 1.00 4.41 H new ATOM 0 HD3 ARG A 574 10.593 -20.643 -29.163 1.00 4.41 H new ATOM 0 HE ARG A 574 13.386 -20.800 -30.023 1.00 14.23 H new ATOM 0 HH11 ARG A 574 10.028 -21.537 -30.865 1.00 24.53 H new ATOM 0 HH12 ARG A 574 10.391 -21.789 -32.576 1.00 24.53 H new ATOM 0 HH21 ARG A 574 13.840 -21.171 -32.238 1.00 35.22 H new ATOM 0 HH22 ARG A 574 12.529 -21.584 -33.349 1.00 35.22 H new ATOM 1130 N ILE A 575 8.136 -20.739 -27.841 1.00 53.43 N ATOM 1131 CA ILE A 575 7.178 -21.718 -28.262 1.00 52.01 C ATOM 1132 C ILE A 575 7.807 -22.445 -29.420 1.00 2.45 C ATOM 1133 O ILE A 575 8.290 -21.804 -30.355 1.00 74.11 O ATOM 1134 CB ILE A 575 5.858 -21.043 -28.737 1.00 24.11 C ATOM 1135 CG1 ILE A 575 5.236 -20.172 -27.620 1.00 55.42 C ATOM 1136 CG2 ILE A 575 4.862 -22.083 -29.235 1.00 53.33 C ATOM 1137 CD1 ILE A 575 4.862 -20.926 -26.353 1.00 33.54 C ATOM 0 H ILE A 575 8.093 -19.863 -28.362 1.00 53.43 H new ATOM 0 HA ILE A 575 6.926 -22.386 -27.439 1.00 52.01 H new ATOM 0 HB ILE A 575 6.105 -20.385 -29.570 1.00 24.11 H new ATOM 0 HG12 ILE A 575 5.941 -19.382 -27.361 1.00 55.42 H new ATOM 0 HG13 ILE A 575 4.343 -19.686 -28.013 1.00 55.42 H new ATOM 0 HG21 ILE A 575 3.949 -21.585 -29.561 1.00 53.33 H new ATOM 0 HG22 ILE A 575 5.295 -22.630 -30.072 1.00 53.33 H new ATOM 0 HG23 ILE A 575 4.628 -22.778 -28.429 1.00 53.33 H new ATOM 0 HD11 ILE A 575 4.434 -20.232 -25.629 1.00 33.54 H new ATOM 0 HD12 ILE A 575 4.130 -21.698 -26.592 1.00 33.54 H new ATOM 0 HD13 ILE A 575 5.753 -21.389 -25.929 1.00 33.54 H new ATOM 1149 N PHE A 576 7.848 -23.730 -29.380 1.00 43.52 N ATOM 1150 CA PHE A 576 8.482 -24.457 -30.445 1.00 62.12 C ATOM 1151 C PHE A 576 7.481 -24.888 -31.457 1.00 62.02 C ATOM 1152 O PHE A 576 6.350 -25.242 -31.112 1.00 42.21 O ATOM 1153 CB PHE A 576 9.285 -25.648 -29.926 1.00 22.33 C ATOM 1154 CG PHE A 576 10.466 -25.242 -29.109 1.00 51.03 C ATOM 1155 CD1 PHE A 576 11.649 -24.866 -29.722 1.00 65.24 C ATOM 1156 CD2 PHE A 576 10.398 -25.224 -27.737 1.00 10.33 C ATOM 1157 CE1 PHE A 576 12.740 -24.479 -28.971 1.00 74.43 C ATOM 1158 CE2 PHE A 576 11.481 -24.841 -26.988 1.00 12.40 C ATOM 1159 CZ PHE A 576 12.651 -24.469 -27.601 1.00 64.21 C ATOM 0 H PHE A 576 7.457 -24.304 -28.633 1.00 43.52 H new ATOM 0 HA PHE A 576 9.188 -23.780 -30.926 1.00 62.12 H new ATOM 0 HB2 PHE A 576 8.635 -26.283 -29.325 1.00 22.33 H new ATOM 0 HB3 PHE A 576 9.623 -26.247 -30.771 1.00 22.33 H new ATOM 0 HD1 PHE A 576 11.719 -24.876 -30.800 1.00 65.24 H new ATOM 0 HD2 PHE A 576 9.482 -25.514 -27.243 1.00 10.33 H new ATOM 0 HE1 PHE A 576 13.658 -24.186 -29.458 1.00 74.43 H new ATOM 0 HE2 PHE A 576 11.413 -24.832 -25.910 1.00 12.40 H new ATOM 0 HZ PHE A 576 13.501 -24.169 -27.006 1.00 64.21 H new ATOM 1308 N CYS A 585 -2.567 -28.290 -26.511 1.00 10.12 N ATOM 1309 CA CYS A 585 -1.416 -27.846 -25.792 1.00 41.52 C ATOM 1310 C CYS A 585 -1.732 -26.547 -25.071 1.00 3.15 C ATOM 1311 O CYS A 585 -2.053 -25.525 -25.699 1.00 72.11 O ATOM 1312 CB CYS A 585 -0.247 -27.649 -26.758 1.00 32.22 C ATOM 1313 SG CYS A 585 0.278 -29.132 -27.633 1.00 34.21 S ATOM 0 HA CYS A 585 -1.137 -28.598 -25.054 1.00 41.52 H new ATOM 0 HB2 CYS A 585 -0.525 -26.892 -27.492 1.00 32.22 H new ATOM 0 HB3 CYS A 585 0.603 -27.255 -26.200 1.00 32.22 H new ATOM 0 HG CYS A 585 1.381 -29.578 -27.109 1.00 34.21 H new ATOM 1319 N SER A 586 -1.706 -26.584 -23.767 1.00 54.43 N ATOM 1320 CA SER A 586 -1.932 -25.412 -22.969 1.00 24.10 C ATOM 1321 C SER A 586 -1.106 -25.496 -21.706 1.00 30.41 C ATOM 1322 O SER A 586 -0.978 -26.571 -21.100 1.00 3.24 O ATOM 1323 CB SER A 586 -3.410 -25.302 -22.601 1.00 14.50 C ATOM 1324 OG SER A 586 -4.223 -25.372 -23.766 1.00 54.10 O ATOM 0 H SER A 586 -1.527 -27.431 -23.227 1.00 54.43 H new ATOM 0 HA SER A 586 -1.641 -24.532 -23.542 1.00 24.10 H new ATOM 0 HB2 SER A 586 -3.680 -26.104 -21.914 1.00 14.50 H new ATOM 0 HB3 SER A 586 -3.592 -24.362 -22.080 1.00 14.50 H new ATOM 0 HG SER A 586 -5.167 -25.301 -23.511 1.00 54.10 H new ATOM 1330 N PHE A 587 -0.527 -24.411 -21.337 1.00 72.44 N ATOM 1331 CA PHE A 587 0.208 -24.334 -20.108 1.00 34.33 C ATOM 1332 C PHE A 587 -0.134 -23.029 -19.432 1.00 44.25 C ATOM 1333 O PHE A 587 -0.669 -22.128 -20.066 1.00 75.21 O ATOM 1334 CB PHE A 587 1.725 -24.451 -20.347 1.00 1.11 C ATOM 1335 CG PHE A 587 2.340 -23.319 -21.125 1.00 0.35 C ATOM 1336 CD1 PHE A 587 2.361 -23.338 -22.504 1.00 22.04 C ATOM 1337 CD2 PHE A 587 2.907 -22.242 -20.467 1.00 41.03 C ATOM 1338 CE1 PHE A 587 2.934 -22.306 -23.212 1.00 43.14 C ATOM 1339 CE2 PHE A 587 3.479 -21.213 -21.169 1.00 62.12 C ATOM 1340 CZ PHE A 587 3.492 -21.245 -22.548 1.00 65.22 C ATOM 0 H PHE A 587 -0.544 -23.544 -21.874 1.00 72.44 H new ATOM 0 HA PHE A 587 -0.071 -25.170 -19.467 1.00 34.33 H new ATOM 0 HB2 PHE A 587 2.225 -24.520 -19.381 1.00 1.11 H new ATOM 0 HB3 PHE A 587 1.923 -25.384 -20.876 1.00 1.11 H new ATOM 0 HD1 PHE A 587 1.923 -24.171 -23.034 1.00 22.04 H new ATOM 0 HD2 PHE A 587 2.899 -22.212 -19.387 1.00 41.03 H new ATOM 0 HE1 PHE A 587 2.944 -22.332 -24.292 1.00 43.14 H new ATOM 0 HE2 PHE A 587 3.919 -20.378 -20.643 1.00 62.12 H new ATOM 0 HZ PHE A 587 3.941 -20.435 -23.104 1.00 65.22 H new ATOM 1350 N SER A 588 0.160 -22.908 -18.188 1.00 20.41 N ATOM 1351 CA SER A 588 -0.142 -21.692 -17.501 1.00 32.34 C ATOM 1352 C SER A 588 1.148 -20.986 -17.110 1.00 72.12 C ATOM 1353 O SER A 588 2.209 -21.580 -17.124 1.00 72.32 O ATOM 1354 CB SER A 588 -1.013 -21.974 -16.276 1.00 14.40 C ATOM 1355 OG SER A 588 -2.127 -22.788 -16.620 1.00 31.41 O ATOM 0 H SER A 588 0.607 -23.629 -17.622 1.00 20.41 H new ATOM 0 HA SER A 588 -0.705 -21.035 -18.164 1.00 32.34 H new ATOM 0 HB2 SER A 588 -0.418 -22.470 -15.509 1.00 14.40 H new ATOM 0 HB3 SER A 588 -1.363 -21.034 -15.850 1.00 14.40 H new ATOM 0 HG SER A 588 -2.668 -22.956 -15.821 1.00 31.41 H new ATOM 1361 N LEU A 589 1.054 -19.741 -16.828 1.00 43.20 N ATOM 1362 CA LEU A 589 2.152 -18.955 -16.378 1.00 10.21 C ATOM 1363 C LEU A 589 1.664 -18.185 -15.191 1.00 5.21 C ATOM 1364 O LEU A 589 0.611 -17.549 -15.260 1.00 25.10 O ATOM 1365 CB LEU A 589 2.607 -18.000 -17.490 1.00 71.14 C ATOM 1366 CG LEU A 589 3.752 -17.035 -17.148 1.00 22.21 C ATOM 1367 CD1 LEU A 589 5.025 -17.773 -16.815 1.00 25.23 C ATOM 1368 CD2 LEU A 589 3.996 -16.090 -18.286 1.00 65.21 C ATOM 0 H LEU A 589 0.182 -19.218 -16.905 1.00 43.20 H new ATOM 0 HA LEU A 589 3.006 -19.578 -16.114 1.00 10.21 H new ATOM 0 HB2 LEU A 589 2.912 -18.599 -18.348 1.00 71.14 H new ATOM 0 HB3 LEU A 589 1.747 -17.409 -17.803 1.00 71.14 H new ATOM 0 HG LEU A 589 3.449 -16.470 -16.266 1.00 22.21 H new ATOM 0 HD11 LEU A 589 5.811 -17.055 -16.579 1.00 25.23 H new ATOM 0 HD12 LEU A 589 4.855 -18.421 -15.955 1.00 25.23 H new ATOM 0 HD13 LEU A 589 5.330 -18.377 -17.670 1.00 25.23 H new ATOM 0 HD21 LEU A 589 4.810 -15.413 -18.028 1.00 65.21 H new ATOM 0 HD22 LEU A 589 4.264 -16.656 -19.178 1.00 65.21 H new ATOM 0 HD23 LEU A 589 3.092 -15.513 -18.480 1.00 65.21 H new ATOM 1380 N VAL A 590 2.356 -18.287 -14.101 1.00 33.45 N ATOM 1381 CA VAL A 590 1.953 -17.603 -12.904 1.00 73.42 C ATOM 1382 C VAL A 590 3.052 -16.706 -12.408 1.00 34.22 C ATOM 1383 O VAL A 590 4.228 -16.893 -12.750 1.00 75.23 O ATOM 1384 CB VAL A 590 1.519 -18.570 -11.762 1.00 55.42 C ATOM 1385 CG1 VAL A 590 0.297 -19.379 -12.170 1.00 51.34 C ATOM 1386 CG2 VAL A 590 2.659 -19.497 -11.350 1.00 41.43 C ATOM 0 H VAL A 590 3.208 -18.840 -14.011 1.00 33.45 H new ATOM 0 HA VAL A 590 1.081 -17.009 -13.177 1.00 73.42 H new ATOM 0 HB VAL A 590 1.257 -17.958 -10.899 1.00 55.42 H new ATOM 0 HG11 VAL A 590 0.014 -20.046 -11.356 1.00 51.34 H new ATOM 0 HG12 VAL A 590 -0.530 -18.704 -12.390 1.00 51.34 H new ATOM 0 HG13 VAL A 590 0.530 -19.968 -13.057 1.00 51.34 H new ATOM 0 HG21 VAL A 590 2.321 -20.157 -10.552 1.00 41.43 H new ATOM 0 HG22 VAL A 590 2.970 -20.094 -12.207 1.00 41.43 H new ATOM 0 HG23 VAL A 590 3.502 -18.903 -10.997 1.00 41.43 H new ATOM 1396 N LEU A 591 2.664 -15.742 -11.633 1.00 55.14 N ATOM 1397 CA LEU A 591 3.572 -14.826 -11.016 1.00 65.11 C ATOM 1398 C LEU A 591 3.657 -15.174 -9.546 1.00 2.12 C ATOM 1399 O LEU A 591 2.676 -15.678 -8.957 1.00 30.42 O ATOM 1400 CB LEU A 591 3.063 -13.398 -11.181 1.00 50.35 C ATOM 1401 CG LEU A 591 2.970 -12.858 -12.606 1.00 34.52 C ATOM 1402 CD1 LEU A 591 2.202 -11.545 -12.626 1.00 3.12 C ATOM 1403 CD2 LEU A 591 4.359 -12.661 -13.196 1.00 32.30 C ATOM 0 H LEU A 591 1.685 -15.566 -11.407 1.00 55.14 H new ATOM 0 HA LEU A 591 4.555 -14.897 -11.481 1.00 65.11 H new ATOM 0 HB2 LEU A 591 2.073 -13.337 -10.730 1.00 50.35 H new ATOM 0 HB3 LEU A 591 3.715 -12.737 -10.610 1.00 50.35 H new ATOM 0 HG LEU A 591 2.435 -13.587 -13.214 1.00 34.52 H new ATOM 0 HD11 LEU A 591 2.144 -11.173 -13.649 1.00 3.12 H new ATOM 0 HD12 LEU A 591 1.195 -11.707 -12.241 1.00 3.12 H new ATOM 0 HD13 LEU A 591 2.716 -10.814 -12.002 1.00 3.12 H new ATOM 0 HD21 LEU A 591 4.272 -12.276 -14.212 1.00 32.30 H new ATOM 0 HD22 LEU A 591 4.916 -11.951 -12.585 1.00 32.30 H new ATOM 0 HD23 LEU A 591 4.885 -13.615 -13.214 1.00 32.30 H new ATOM 1415 N GLU A 592 4.790 -14.955 -8.965 1.00 30.12 N ATOM 1416 CA GLU A 592 4.994 -15.239 -7.573 1.00 42.43 C ATOM 1417 C GLU A 592 5.253 -13.946 -6.817 1.00 24.32 C ATOM 1418 O GLU A 592 5.302 -12.869 -7.426 1.00 34.50 O ATOM 1419 CB GLU A 592 6.128 -16.248 -7.388 1.00 2.11 C ATOM 1420 CG GLU A 592 5.865 -17.577 -8.091 1.00 34.44 C ATOM 1421 CD GLU A 592 6.949 -18.590 -7.858 1.00 52.14 C ATOM 1422 OE1 GLU A 592 6.903 -19.294 -6.824 1.00 21.24 O ATOM 1423 OE2 GLU A 592 7.847 -18.722 -8.691 1.00 12.21 O ATOM 0 H GLU A 592 5.608 -14.572 -9.440 1.00 30.12 H new ATOM 0 HA GLU A 592 4.093 -15.694 -7.162 1.00 42.43 H new ATOM 0 HB2 GLU A 592 7.055 -15.819 -7.769 1.00 2.11 H new ATOM 0 HB3 GLU A 592 6.275 -16.429 -6.323 1.00 2.11 H new ATOM 0 HG2 GLU A 592 4.915 -17.983 -7.744 1.00 34.44 H new ATOM 0 HG3 GLU A 592 5.764 -17.401 -9.162 1.00 34.44 H new ATOM 1430 N GLU A 593 5.405 -14.054 -5.504 1.00 74.24 N ATOM 1431 CA GLU A 593 5.572 -12.899 -4.635 1.00 54.12 C ATOM 1432 C GLU A 593 6.837 -12.091 -4.946 1.00 15.42 C ATOM 1433 O GLU A 593 7.956 -12.626 -4.945 1.00 24.41 O ATOM 1434 CB GLU A 593 5.489 -13.301 -3.154 1.00 13.34 C ATOM 1435 CG GLU A 593 6.434 -14.418 -2.741 1.00 62.22 C ATOM 1436 CD GLU A 593 6.241 -14.830 -1.304 1.00 62.14 C ATOM 1437 OE1 GLU A 593 5.284 -15.588 -1.020 1.00 62.42 O ATOM 1438 OE2 GLU A 593 7.041 -14.414 -0.428 1.00 32.35 O ATOM 0 H GLU A 593 5.416 -14.947 -5.011 1.00 74.24 H new ATOM 0 HA GLU A 593 4.738 -12.228 -4.843 1.00 54.12 H new ATOM 0 HB2 GLU A 593 5.697 -12.423 -2.542 1.00 13.34 H new ATOM 0 HB3 GLU A 593 4.467 -13.609 -2.933 1.00 13.34 H new ATOM 0 HG2 GLU A 593 6.277 -15.281 -3.388 1.00 62.22 H new ATOM 0 HG3 GLU A 593 7.464 -14.092 -2.888 1.00 62.22 H new ATOM 1445 N PRO A 594 6.662 -10.798 -5.247 1.00 42.12 N ATOM 1446 CA PRO A 594 7.754 -9.917 -5.582 1.00 10.41 C ATOM 1447 C PRO A 594 8.555 -9.519 -4.357 1.00 45.40 C ATOM 1448 O PRO A 594 8.020 -9.368 -3.257 1.00 14.12 O ATOM 1449 CB PRO A 594 7.052 -8.696 -6.175 1.00 12.03 C ATOM 1450 CG PRO A 594 5.741 -8.663 -5.485 1.00 71.21 C ATOM 1451 CD PRO A 594 5.367 -10.094 -5.284 1.00 50.25 C ATOM 0 HA PRO A 594 8.469 -10.385 -6.259 1.00 10.41 H new ATOM 0 HB2 PRO A 594 7.620 -7.783 -5.996 1.00 12.03 H new ATOM 0 HB3 PRO A 594 6.932 -8.790 -7.254 1.00 12.03 H new ATOM 0 HG2 PRO A 594 5.811 -8.137 -4.533 1.00 71.21 H new ATOM 0 HG3 PRO A 594 4.994 -8.141 -6.084 1.00 71.21 H new ATOM 0 HD2 PRO A 594 4.809 -10.235 -4.358 1.00 50.25 H new ATOM 0 HD3 PRO A 594 4.737 -10.460 -6.095 1.00 50.25 H new ATOM 1459 N LYS A 595 9.809 -9.358 -4.543 1.00 3.15 N ATOM 1460 CA LYS A 595 10.689 -8.971 -3.470 1.00 71.55 C ATOM 1461 C LYS A 595 11.297 -7.619 -3.767 1.00 60.30 C ATOM 1462 O LYS A 595 11.634 -7.318 -4.918 1.00 22.34 O ATOM 1463 CB LYS A 595 11.757 -10.039 -3.232 1.00 32.33 C ATOM 1464 CG LYS A 595 12.544 -10.399 -4.467 1.00 45.32 C ATOM 1465 CD LYS A 595 13.471 -11.556 -4.213 1.00 32.23 C ATOM 1466 CE LYS A 595 14.171 -11.957 -5.486 1.00 33.12 C ATOM 1467 NZ LYS A 595 14.993 -13.160 -5.325 1.00 3.21 N ATOM 0 H LYS A 595 10.273 -9.488 -5.442 1.00 3.15 H new ATOM 0 HA LYS A 595 10.114 -8.885 -2.548 1.00 71.55 H new ATOM 0 HB2 LYS A 595 12.445 -9.686 -2.464 1.00 32.33 H new ATOM 0 HB3 LYS A 595 11.278 -10.938 -2.843 1.00 32.33 H new ATOM 0 HG2 LYS A 595 11.858 -10.652 -5.276 1.00 45.32 H new ATOM 0 HG3 LYS A 595 13.121 -9.535 -4.797 1.00 45.32 H new ATOM 0 HD2 LYS A 595 14.207 -11.282 -3.457 1.00 32.23 H new ATOM 0 HD3 LYS A 595 12.908 -12.402 -3.818 1.00 32.23 H new ATOM 0 HE2 LYS A 595 13.428 -12.131 -6.265 1.00 33.12 H new ATOM 0 HE3 LYS A 595 14.801 -11.134 -5.824 1.00 33.12 H new ATOM 0 HZ1 LYS A 595 15.356 -13.459 -6.253 1.00 3.21 H new ATOM 0 HZ2 LYS A 595 15.791 -12.953 -4.692 1.00 3.21 H new ATOM 0 HZ3 LYS A 595 14.416 -13.923 -4.916 1.00 3.21 H new ATOM 1481 N TRP A 596 11.417 -6.809 -2.757 1.00 64.34 N ATOM 1482 CA TRP A 596 11.922 -5.473 -2.919 1.00 43.24 C ATOM 1483 C TRP A 596 13.337 -5.435 -2.392 1.00 4.54 C ATOM 1484 O TRP A 596 13.599 -5.821 -1.245 1.00 12.41 O ATOM 1485 CB TRP A 596 11.032 -4.490 -2.142 1.00 13.12 C ATOM 1486 CG TRP A 596 11.257 -3.014 -2.406 1.00 30.15 C ATOM 1487 CD1 TRP A 596 12.352 -2.404 -2.958 1.00 22.43 C ATOM 1488 CD2 TRP A 596 10.342 -1.965 -2.095 1.00 60.45 C ATOM 1489 NE1 TRP A 596 12.163 -1.049 -3.010 1.00 31.54 N ATOM 1490 CE2 TRP A 596 10.938 -0.752 -2.486 1.00 30.25 C ATOM 1491 CE3 TRP A 596 9.072 -1.939 -1.525 1.00 74.34 C ATOM 1492 CZ2 TRP A 596 10.306 0.474 -2.323 1.00 33.23 C ATOM 1493 CZ3 TRP A 596 8.445 -0.725 -1.362 1.00 52.22 C ATOM 1494 CH2 TRP A 596 9.062 0.467 -1.760 1.00 34.04 C ATOM 0 H TRP A 596 11.169 -7.053 -1.798 1.00 64.34 H new ATOM 0 HA TRP A 596 11.915 -5.185 -3.970 1.00 43.24 H new ATOM 0 HB2 TRP A 596 9.991 -4.721 -2.368 1.00 13.12 H new ATOM 0 HB3 TRP A 596 11.175 -4.671 -1.077 1.00 13.12 H new ATOM 0 HD1 TRP A 596 13.237 -2.918 -3.303 1.00 22.43 H new ATOM 0 HE1 TRP A 596 12.829 -0.371 -3.380 1.00 31.54 H new ATOM 0 HE3 TRP A 596 8.588 -2.854 -1.217 1.00 74.34 H new ATOM 0 HZ2 TRP A 596 10.779 1.395 -2.629 1.00 33.23 H new ATOM 0 HZ3 TRP A 596 7.460 -0.691 -0.920 1.00 52.22 H new ATOM 0 HH2 TRP A 596 8.542 1.403 -1.618 1.00 34.04 H new ATOM 1505 N ILE A 597 14.236 -5.018 -3.219 1.00 41.11 N ATOM 1506 CA ILE A 597 15.605 -4.884 -2.834 1.00 60.50 C ATOM 1507 C ILE A 597 15.784 -3.504 -2.263 1.00 44.52 C ATOM 1508 O ILE A 597 15.765 -2.503 -2.991 1.00 64.21 O ATOM 1509 CB ILE A 597 16.620 -5.134 -4.008 1.00 61.23 C ATOM 1510 CG1 ILE A 597 16.609 -6.599 -4.492 1.00 53.40 C ATOM 1511 CG2 ILE A 597 18.038 -4.744 -3.611 1.00 43.11 C ATOM 1512 CD1 ILE A 597 15.347 -7.041 -5.189 1.00 62.33 C ATOM 0 H ILE A 597 14.043 -4.759 -4.186 1.00 41.11 H new ATOM 0 HA ILE A 597 15.829 -5.654 -2.096 1.00 60.50 H new ATOM 0 HB ILE A 597 16.290 -4.500 -4.831 1.00 61.23 H new ATOM 0 HG12 ILE A 597 17.449 -6.746 -5.171 1.00 53.40 H new ATOM 0 HG13 ILE A 597 16.776 -7.249 -3.633 1.00 53.40 H new ATOM 0 HG21 ILE A 597 18.714 -4.930 -4.446 1.00 43.11 H new ATOM 0 HG22 ILE A 597 18.065 -3.686 -3.351 1.00 43.11 H new ATOM 0 HG23 ILE A 597 18.351 -5.337 -2.752 1.00 43.11 H new ATOM 0 HD11 ILE A 597 15.443 -8.085 -5.488 1.00 62.33 H new ATOM 0 HD12 ILE A 597 14.500 -6.934 -4.511 1.00 62.33 H new ATOM 0 HD13 ILE A 597 15.184 -6.424 -6.072 1.00 62.33 H new ATOM 2107 N ILE A 634 3.658 -7.395 -2.036 1.00 23.42 N ATOM 2108 CA ILE A 634 2.850 -8.398 -2.670 1.00 43.40 C ATOM 2109 C ILE A 634 2.327 -7.882 -3.981 1.00 33.41 C ATOM 2110 O ILE A 634 2.334 -6.676 -4.226 1.00 25.54 O ATOM 2111 CB ILE A 634 1.660 -8.861 -1.794 1.00 61.15 C ATOM 2112 CG1 ILE A 634 0.752 -7.671 -1.420 1.00 41.52 C ATOM 2113 CG2 ILE A 634 2.155 -9.605 -0.551 1.00 61.51 C ATOM 2114 CD1 ILE A 634 -0.478 -8.054 -0.631 1.00 71.11 C ATOM 0 HA ILE A 634 3.494 -9.263 -2.827 1.00 43.40 H new ATOM 0 HB ILE A 634 1.059 -9.559 -2.377 1.00 61.15 H new ATOM 0 HG12 ILE A 634 1.333 -6.954 -0.840 1.00 41.52 H new ATOM 0 HG13 ILE A 634 0.441 -7.165 -2.334 1.00 41.52 H new ATOM 0 HG21 ILE A 634 1.301 -9.920 0.049 1.00 61.51 H new ATOM 0 HG22 ILE A 634 2.728 -10.481 -0.855 1.00 61.51 H new ATOM 0 HG23 ILE A 634 2.789 -8.944 0.040 1.00 61.51 H new ATOM 0 HD11 ILE A 634 -1.061 -7.160 -0.409 1.00 71.11 H new ATOM 0 HD12 ILE A 634 -1.084 -8.747 -1.215 1.00 71.11 H new ATOM 0 HD13 ILE A 634 -0.178 -8.532 0.301 1.00 71.11 H new ATOM 2126 N LEU A 635 1.885 -8.781 -4.805 1.00 32.34 N ATOM 2127 CA LEU A 635 1.337 -8.442 -6.090 1.00 62.24 C ATOM 2128 C LEU A 635 -0.148 -8.760 -6.055 1.00 73.13 C ATOM 2129 O LEU A 635 -0.713 -8.914 -4.958 1.00 63.40 O ATOM 2130 CB LEU A 635 2.038 -9.228 -7.231 1.00 33.15 C ATOM 2131 CG LEU A 635 1.726 -10.739 -7.404 1.00 51.01 C ATOM 2132 CD1 LEU A 635 2.363 -11.239 -8.666 1.00 52.22 C ATOM 2133 CD2 LEU A 635 2.209 -11.585 -6.239 1.00 75.14 C ATOM 0 H LEU A 635 1.893 -9.781 -4.606 1.00 32.34 H new ATOM 0 HA LEU A 635 1.498 -7.383 -6.293 1.00 62.24 H new ATOM 0 HB2 LEU A 635 1.795 -8.732 -8.171 1.00 33.15 H new ATOM 0 HB3 LEU A 635 3.114 -9.128 -7.087 1.00 33.15 H new ATOM 0 HG LEU A 635 0.641 -10.834 -7.446 1.00 51.01 H new ATOM 0 HD11 LEU A 635 2.144 -12.300 -8.788 1.00 52.22 H new ATOM 0 HD12 LEU A 635 1.966 -10.686 -9.518 1.00 52.22 H new ATOM 0 HD13 LEU A 635 3.442 -11.095 -8.611 1.00 52.22 H new ATOM 0 HD21 LEU A 635 1.961 -12.631 -6.421 1.00 75.14 H new ATOM 0 HD22 LEU A 635 3.289 -11.481 -6.137 1.00 75.14 H new ATOM 0 HD23 LEU A 635 1.724 -11.251 -5.321 1.00 75.14 H new ATOM 2145 N GLY A 636 -0.783 -8.851 -7.220 1.00 33.45 N ATOM 2146 CA GLY A 636 -2.169 -9.221 -7.260 1.00 41.33 C ATOM 2147 C GLY A 636 -2.333 -10.629 -6.745 1.00 1.22 C ATOM 2148 O GLY A 636 -1.463 -11.488 -6.970 1.00 74.24 O ATOM 0 H GLY A 636 -0.356 -8.674 -8.129 1.00 33.45 H new ATOM 0 HA2 GLY A 636 -2.757 -8.531 -6.655 1.00 41.33 H new ATOM 0 HA3 GLY A 636 -2.545 -9.150 -8.281 1.00 41.33 H new ATOM 2152 N GLU A 637 -3.401 -10.874 -6.046 1.00 51.24 N ATOM 2153 CA GLU A 637 -3.579 -12.148 -5.395 1.00 24.33 C ATOM 2154 C GLU A 637 -3.846 -13.255 -6.399 1.00 63.32 C ATOM 2155 O GLU A 637 -3.320 -14.358 -6.273 1.00 0.44 O ATOM 2156 CB GLU A 637 -4.677 -12.079 -4.343 1.00 51.12 C ATOM 2157 CG GLU A 637 -4.598 -13.210 -3.333 1.00 43.25 C ATOM 2158 CD GLU A 637 -3.281 -13.188 -2.570 1.00 10.33 C ATOM 2159 OE1 GLU A 637 -2.265 -13.715 -3.084 1.00 75.20 O ATOM 2160 OE2 GLU A 637 -3.234 -12.616 -1.455 1.00 34.12 O ATOM 0 H GLU A 637 -4.165 -10.212 -5.909 1.00 51.24 H new ATOM 0 HA GLU A 637 -2.646 -12.389 -4.886 1.00 24.33 H new ATOM 0 HB2 GLU A 637 -4.612 -11.125 -3.819 1.00 51.12 H new ATOM 0 HB3 GLU A 637 -5.649 -12.106 -4.836 1.00 51.12 H new ATOM 0 HG2 GLU A 637 -5.428 -13.130 -2.631 1.00 43.25 H new ATOM 0 HG3 GLU A 637 -4.706 -14.165 -3.846 1.00 43.25 H new ATOM 2167 N HIS A 638 -4.620 -12.963 -7.408 1.00 60.11 N ATOM 2168 CA HIS A 638 -4.944 -13.967 -8.393 1.00 52.01 C ATOM 2169 C HIS A 638 -4.578 -13.490 -9.771 1.00 64.53 C ATOM 2170 O HIS A 638 -5.215 -12.586 -10.319 1.00 43.22 O ATOM 2171 CB HIS A 638 -6.426 -14.394 -8.311 1.00 3.13 C ATOM 2172 CG HIS A 638 -6.794 -14.927 -6.959 1.00 41.02 C ATOM 2173 ND1 HIS A 638 -6.082 -15.918 -6.325 1.00 50.41 N ATOM 2174 CD2 HIS A 638 -7.726 -14.509 -6.071 1.00 64.51 C ATOM 2175 CE1 HIS A 638 -6.563 -16.062 -5.105 1.00 52.52 C ATOM 2176 NE2 HIS A 638 -7.577 -15.235 -4.886 1.00 21.35 N ATOM 0 H HIS A 638 -5.037 -12.047 -7.572 1.00 60.11 H new ATOM 0 HA HIS A 638 -4.351 -14.855 -8.175 1.00 52.01 H new ATOM 0 HB2 HIS A 638 -7.061 -13.540 -8.547 1.00 3.13 H new ATOM 0 HB3 HIS A 638 -6.624 -15.156 -9.065 1.00 3.13 H new ATOM 0 HD2 HIS A 638 -8.464 -13.741 -6.249 1.00 64.51 H new ATOM 0 HE1 HIS A 638 -6.180 -16.763 -4.378 1.00 52.52 H new ATOM 0 HE2 HIS A 638 -8.130 -15.148 -4.034 1.00 21.35 H new ATOM 2184 N THR A 639 -3.540 -14.065 -10.307 1.00 62.41 N ATOM 2185 CA THR A 639 -3.071 -13.731 -11.613 1.00 0.12 C ATOM 2186 C THR A 639 -2.385 -14.969 -12.246 1.00 65.05 C ATOM 2187 O THR A 639 -1.395 -15.516 -11.714 1.00 64.35 O ATOM 2188 CB THR A 639 -2.135 -12.469 -11.576 1.00 74.44 C ATOM 2189 OG1 THR A 639 -1.808 -12.044 -12.905 1.00 11.33 O ATOM 2190 CG2 THR A 639 -0.852 -12.720 -10.768 1.00 63.40 C ATOM 0 H THR A 639 -2.992 -14.787 -9.840 1.00 62.41 H new ATOM 0 HA THR A 639 -3.916 -13.458 -12.245 1.00 0.12 H new ATOM 0 HB THR A 639 -2.688 -11.676 -11.073 1.00 74.44 H new ATOM 0 HG1 THR A 639 -1.177 -12.678 -13.305 1.00 11.33 H new ATOM 0 HG21 THR A 639 -0.238 -11.820 -10.771 1.00 63.40 H new ATOM 0 HG22 THR A 639 -1.113 -12.977 -9.741 1.00 63.40 H new ATOM 0 HG23 THR A 639 -0.294 -13.541 -11.217 1.00 63.40 H new ATOM 2198 N LYS A 640 -2.967 -15.458 -13.305 1.00 32.35 N ATOM 2199 CA LYS A 640 -2.476 -16.622 -13.989 1.00 11.05 C ATOM 2200 C LYS A 640 -2.782 -16.485 -15.448 1.00 41.44 C ATOM 2201 O LYS A 640 -3.915 -16.220 -15.809 1.00 65.40 O ATOM 2202 CB LYS A 640 -3.106 -17.901 -13.420 1.00 53.12 C ATOM 2203 CG LYS A 640 -2.639 -19.191 -14.104 1.00 42.01 C ATOM 2204 CD LYS A 640 -3.182 -20.433 -13.409 1.00 2.54 C ATOM 2205 CE LYS A 640 -4.693 -20.473 -13.450 1.00 74.33 C ATOM 2206 NZ LYS A 640 -5.251 -21.651 -12.756 1.00 14.30 N ATOM 0 H LYS A 640 -3.806 -15.055 -13.723 1.00 32.35 H new ATOM 0 HA LYS A 640 -1.398 -16.699 -13.845 1.00 11.05 H new ATOM 0 HB2 LYS A 640 -2.876 -17.963 -12.356 1.00 53.12 H new ATOM 0 HB3 LYS A 640 -4.190 -17.829 -13.508 1.00 53.12 H new ATOM 0 HG2 LYS A 640 -2.962 -19.187 -15.145 1.00 42.01 H new ATOM 0 HG3 LYS A 640 -1.550 -19.225 -14.109 1.00 42.01 H new ATOM 0 HD2 LYS A 640 -2.780 -21.325 -13.889 1.00 2.54 H new ATOM 0 HD3 LYS A 640 -2.844 -20.449 -12.373 1.00 2.54 H new ATOM 0 HE2 LYS A 640 -5.089 -19.566 -12.993 1.00 74.33 H new ATOM 0 HE3 LYS A 640 -5.024 -20.478 -14.488 1.00 74.33 H new ATOM 0 HZ1 LYS A 640 -6.289 -21.629 -12.814 1.00 14.30 H new ATOM 0 HZ2 LYS A 640 -4.897 -22.519 -13.206 1.00 14.30 H new ATOM 0 HZ3 LYS A 640 -4.960 -21.636 -11.758 1.00 14.30 H new ATOM 2220 N LEU A 641 -1.801 -16.645 -16.269 1.00 50.21 N ATOM 2221 CA LEU A 641 -1.984 -16.540 -17.686 1.00 5.32 C ATOM 2222 C LEU A 641 -1.917 -17.912 -18.309 1.00 32.24 C ATOM 2223 O LEU A 641 -0.887 -18.565 -18.274 1.00 2.12 O ATOM 2224 CB LEU A 641 -0.921 -15.627 -18.293 1.00 5.55 C ATOM 2225 CG LEU A 641 -1.001 -15.407 -19.802 1.00 1.10 C ATOM 2226 CD1 LEU A 641 -2.302 -14.735 -20.186 1.00 64.23 C ATOM 2227 CD2 LEU A 641 0.174 -14.592 -20.278 1.00 20.12 C ATOM 0 H LEU A 641 -0.845 -16.853 -15.981 1.00 50.21 H new ATOM 0 HA LEU A 641 -2.963 -16.106 -17.887 1.00 5.32 H new ATOM 0 HB2 LEU A 641 -0.983 -14.656 -17.802 1.00 5.55 H new ATOM 0 HB3 LEU A 641 0.060 -16.041 -18.059 1.00 5.55 H new ATOM 0 HG LEU A 641 -0.969 -16.382 -20.288 1.00 1.10 H new ATOM 0 HD11 LEU A 641 -2.332 -14.591 -21.266 1.00 64.23 H new ATOM 0 HD12 LEU A 641 -3.139 -15.362 -19.880 1.00 64.23 H new ATOM 0 HD13 LEU A 641 -2.373 -13.768 -19.689 1.00 64.23 H new ATOM 0 HD21 LEU A 641 0.102 -14.444 -21.356 1.00 20.12 H new ATOM 0 HD22 LEU A 641 0.171 -13.623 -19.778 1.00 20.12 H new ATOM 0 HD23 LEU A 641 1.100 -15.118 -20.045 1.00 20.12 H new ATOM 2239 N GLU A 642 -3.015 -18.363 -18.813 1.00 12.23 N ATOM 2240 CA GLU A 642 -3.072 -19.622 -19.486 1.00 2.34 C ATOM 2241 C GLU A 642 -2.788 -19.422 -20.941 1.00 42.13 C ATOM 2242 O GLU A 642 -3.532 -18.754 -21.657 1.00 63.40 O ATOM 2243 CB GLU A 642 -4.392 -20.307 -19.227 1.00 23.04 C ATOM 2244 CG GLU A 642 -4.587 -20.588 -17.751 1.00 51.31 C ATOM 2245 CD GLU A 642 -5.861 -21.295 -17.437 1.00 62.22 C ATOM 2246 OE1 GLU A 642 -5.866 -22.538 -17.423 1.00 43.41 O ATOM 2247 OE2 GLU A 642 -6.873 -20.626 -17.142 1.00 0.10 O ATOM 0 H GLU A 642 -3.906 -17.868 -18.771 1.00 12.23 H new ATOM 0 HA GLU A 642 -2.305 -20.290 -19.093 1.00 2.34 H new ATOM 0 HB2 GLU A 642 -5.207 -19.681 -19.591 1.00 23.04 H new ATOM 0 HB3 GLU A 642 -4.435 -21.242 -19.786 1.00 23.04 H new ATOM 0 HG2 GLU A 642 -3.751 -21.188 -17.391 1.00 51.31 H new ATOM 0 HG3 GLU A 642 -4.561 -19.645 -17.205 1.00 51.31 H new ATOM 2254 N VAL A 643 -1.689 -19.955 -21.346 1.00 50.12 N ATOM 2255 CA VAL A 643 -1.184 -19.808 -22.676 1.00 15.33 C ATOM 2256 C VAL A 643 -1.514 -21.053 -23.450 1.00 12.11 C ATOM 2257 O VAL A 643 -1.057 -22.164 -23.128 1.00 64.23 O ATOM 2258 CB VAL A 643 0.349 -19.571 -22.692 1.00 21.42 C ATOM 2259 CG1 VAL A 643 0.847 -19.280 -24.101 1.00 64.11 C ATOM 2260 CG2 VAL A 643 0.746 -18.453 -21.733 1.00 25.53 C ATOM 0 H VAL A 643 -1.094 -20.525 -20.745 1.00 50.12 H new ATOM 0 HA VAL A 643 -1.651 -18.934 -23.130 1.00 15.33 H new ATOM 0 HB VAL A 643 0.826 -20.490 -22.351 1.00 21.42 H new ATOM 0 HG11 VAL A 643 1.925 -19.118 -24.080 1.00 64.11 H new ATOM 0 HG12 VAL A 643 0.620 -20.126 -24.749 1.00 64.11 H new ATOM 0 HG13 VAL A 643 0.354 -18.387 -24.484 1.00 64.11 H new ATOM 0 HG21 VAL A 643 1.826 -18.311 -21.767 1.00 25.53 H new ATOM 0 HG22 VAL A 643 0.249 -17.528 -22.026 1.00 25.53 H new ATOM 0 HG23 VAL A 643 0.447 -18.720 -20.719 1.00 25.53 H new ATOM 2270 N ILE A 644 -2.319 -20.879 -24.430 1.00 5.31 N ATOM 2271 CA ILE A 644 -2.801 -21.953 -25.226 1.00 11.20 C ATOM 2272 C ILE A 644 -2.230 -21.833 -26.619 1.00 54.43 C ATOM 2273 O ILE A 644 -2.316 -20.773 -27.242 1.00 43.54 O ATOM 2274 CB ILE A 644 -4.333 -21.907 -25.213 1.00 11.44 C ATOM 2275 CG1 ILE A 644 -4.766 -22.058 -23.756 1.00 52.23 C ATOM 2276 CG2 ILE A 644 -4.920 -23.028 -26.073 1.00 43.04 C ATOM 2277 CD1 ILE A 644 -6.051 -21.406 -23.416 1.00 23.15 C ATOM 0 H ILE A 644 -2.672 -19.964 -24.711 1.00 5.31 H new ATOM 0 HA ILE A 644 -2.486 -22.919 -24.831 1.00 11.20 H new ATOM 0 HB ILE A 644 -4.695 -20.968 -25.631 1.00 11.44 H new ATOM 0 HG12 ILE A 644 -4.842 -23.120 -23.523 1.00 52.23 H new ATOM 0 HG13 ILE A 644 -3.986 -21.646 -23.116 1.00 52.23 H new ATOM 0 HG21 ILE A 644 -6.008 -22.974 -26.048 1.00 43.04 H new ATOM 0 HG22 ILE A 644 -4.575 -22.917 -27.101 1.00 43.04 H new ATOM 0 HG23 ILE A 644 -4.595 -23.993 -25.684 1.00 43.04 H new ATOM 0 HD11 ILE A 644 -6.273 -21.568 -22.361 1.00 23.15 H new ATOM 0 HD12 ILE A 644 -5.979 -20.336 -23.611 1.00 23.15 H new ATOM 0 HD13 ILE A 644 -6.848 -21.833 -24.025 1.00 23.15 H new ATOM 2289 N ILE A 645 -1.620 -22.895 -27.078 1.00 22.40 N ATOM 2290 CA ILE A 645 -0.949 -22.920 -28.353 1.00 14.21 C ATOM 2291 C ILE A 645 -1.713 -23.718 -29.400 1.00 42.32 C ATOM 2292 O ILE A 645 -1.858 -24.937 -29.296 1.00 41.42 O ATOM 2293 CB ILE A 645 0.558 -23.356 -28.277 1.00 22.02 C ATOM 2294 CG1 ILE A 645 0.843 -24.435 -27.191 1.00 43.43 C ATOM 2295 CG2 ILE A 645 1.451 -22.152 -28.085 1.00 73.12 C ATOM 2296 CD1 ILE A 645 1.003 -23.916 -25.766 1.00 71.15 C ATOM 0 H ILE A 645 -1.574 -23.779 -26.571 1.00 22.40 H new ATOM 0 HA ILE A 645 -0.938 -21.880 -28.678 1.00 14.21 H new ATOM 0 HB ILE A 645 0.787 -23.826 -29.233 1.00 22.02 H new ATOM 0 HG12 ILE A 645 0.030 -25.160 -27.204 1.00 43.43 H new ATOM 0 HG13 ILE A 645 1.752 -24.970 -27.467 1.00 43.43 H new ATOM 0 HG21 ILE A 645 2.491 -22.475 -28.035 1.00 73.12 H new ATOM 0 HG22 ILE A 645 1.324 -21.467 -28.923 1.00 73.12 H new ATOM 0 HG23 ILE A 645 1.183 -21.645 -27.158 1.00 73.12 H new ATOM 0 HD11 ILE A 645 1.198 -24.752 -25.094 1.00 71.15 H new ATOM 0 HD12 ILE A 645 1.837 -23.216 -25.725 1.00 71.15 H new ATOM 0 HD13 ILE A 645 0.088 -23.409 -25.459 1.00 71.15 H new