USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 539 TYR OH : rot -18:sc= 0.486 USER MOD Set 1.2: A 556 THR OG1 : rot 171:sc= 0.354 USER MOD Single : A 506 THR OG1 : rot 18:sc= 0.69 USER MOD Single : A 512 THR OG1 : rot 75:sc= 1.12 USER MOD Single : A 513 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.5!) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot -170:sc= -0.063 USER MOD Single : A 521 MET CE :methyl 146:sc= -4.5! (180deg=-6.42!) USER MOD Single : A 524 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0239) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0.00105 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= 0.871 K(o=0.87,f=-0.092) USER MOD Single : A 540 LYS NZ :NH3+ -167:sc= -0.0314 (180deg=-0.258) USER MOD Single : A 541 THR OG1 : rot 66:sc= 0.939 USER MOD Single : A 545 THR OG1 : rot -39:sc= 0.266 USER MOD Single : A 557 CYS SG : rot -125:sc= 1.36 USER MOD Single : A 563 GLN : amide:sc= -1.42! C(o=-1.4!,f=-3!) USER MOD Single : A 564 ASN : amide:sc= 0.115 K(o=0.11,f=-4.5!) USER MOD Single : A 569 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00571) USER MOD Single : A 570 THR OG1 : rot 131:sc= 1.25 USER MOD Single : A 572 SER OG : rot 43:sc= 0.251 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ -166:sc= -0.502 (180deg=-0.927) USER MOD Single : A 584 ASN : amide:sc= -0.707 K(o=-0.71,f=-1.8!) USER MOD Single : A 585 LYS NZ :NH3+ -177:sc= 1.95 (180deg=1.85) USER MOD Single : A 586 THR OG1 : rot 26:sc= 1.15 USER MOD Single : A 639 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.024) USER MOD Single : A 640 THR OG1 : rot 48:sc= 0.183 USER MOD Single : A 641 LYS NZ :NH3+ -148:sc= 1.15 (180deg=0.297) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.021 -13.865 -1.679 1.00 10.10 N ATOM 29 CA GLY A 503 -5.386 -12.634 -1.043 1.00 72.34 C ATOM 30 C GLY A 503 -5.131 -11.423 -1.883 1.00 34.31 C ATOM 31 O GLY A 503 -4.182 -11.377 -2.681 1.00 43.33 O ATOM 0 HA2 GLY A 503 -6.444 -12.669 -0.784 1.00 72.34 H new ATOM 0 HA3 GLY A 503 -4.832 -12.540 -0.109 1.00 72.34 H new ATOM 35 N ILE A 504 -5.993 -10.473 -1.726 1.00 53.02 N ATOM 36 CA ILE A 504 -5.928 -9.204 -2.391 1.00 44.01 C ATOM 37 C ILE A 504 -5.518 -8.163 -1.371 1.00 22.44 C ATOM 38 O ILE A 504 -6.067 -8.125 -0.266 1.00 11.32 O ATOM 39 CB ILE A 504 -7.316 -8.852 -3.051 1.00 4.24 C ATOM 40 CG1 ILE A 504 -7.473 -9.504 -4.441 1.00 44.23 C ATOM 41 CG2 ILE A 504 -7.570 -7.353 -3.138 1.00 5.32 C ATOM 42 CD1 ILE A 504 -7.342 -11.019 -4.493 1.00 2.44 C ATOM 0 H ILE A 504 -6.798 -10.559 -1.105 1.00 53.02 H new ATOM 0 HA ILE A 504 -5.194 -9.233 -3.196 1.00 44.01 H new ATOM 0 HB ILE A 504 -8.071 -9.270 -2.385 1.00 4.24 H new ATOM 0 HG12 ILE A 504 -8.451 -9.231 -4.839 1.00 44.23 H new ATOM 0 HG13 ILE A 504 -6.726 -9.073 -5.108 1.00 44.23 H new ATOM 0 HG21 ILE A 504 -8.540 -7.175 -3.601 1.00 5.32 H new ATOM 0 HG22 ILE A 504 -7.562 -6.924 -2.136 1.00 5.32 H new ATOM 0 HG23 ILE A 504 -6.790 -6.886 -3.739 1.00 5.32 H new ATOM 0 HD11 ILE A 504 -7.471 -11.360 -5.520 1.00 2.44 H new ATOM 0 HD12 ILE A 504 -6.355 -11.311 -4.135 1.00 2.44 H new ATOM 0 HD13 ILE A 504 -8.106 -11.472 -3.861 1.00 2.44 H new ATOM 54 N PHE A 505 -4.532 -7.374 -1.710 1.00 30.12 N ATOM 55 CA PHE A 505 -4.025 -6.367 -0.809 1.00 65.14 C ATOM 56 C PHE A 505 -4.245 -4.983 -1.364 1.00 2.00 C ATOM 57 O PHE A 505 -3.783 -4.655 -2.457 1.00 24.01 O ATOM 58 CB PHE A 505 -2.544 -6.602 -0.516 1.00 12.41 C ATOM 59 CG PHE A 505 -2.286 -7.913 0.151 1.00 4.23 C ATOM 60 CD1 PHE A 505 -2.423 -8.037 1.514 1.00 63.14 C ATOM 61 CD2 PHE A 505 -1.923 -9.027 -0.587 1.00 60.34 C ATOM 62 CE1 PHE A 505 -2.204 -9.241 2.134 1.00 23.21 C ATOM 63 CE2 PHE A 505 -1.701 -10.235 0.034 1.00 2.04 C ATOM 64 CZ PHE A 505 -1.842 -10.340 1.395 1.00 54.42 C ATOM 0 H PHE A 505 -4.059 -7.409 -2.613 1.00 30.12 H new ATOM 0 HA PHE A 505 -4.577 -6.445 0.128 1.00 65.14 H new ATOM 0 HB2 PHE A 505 -1.982 -6.558 -1.449 1.00 12.41 H new ATOM 0 HB3 PHE A 505 -2.172 -5.798 0.118 1.00 12.41 H new ATOM 0 HD1 PHE A 505 -2.706 -7.177 2.103 1.00 63.14 H new ATOM 0 HD2 PHE A 505 -1.813 -8.947 -1.658 1.00 60.34 H new ATOM 0 HE1 PHE A 505 -2.317 -9.324 3.205 1.00 23.21 H new ATOM 0 HE2 PHE A 505 -1.416 -11.099 -0.549 1.00 2.04 H new ATOM 0 HZ PHE A 505 -1.668 -11.287 1.885 1.00 54.42 H new ATOM 74 N THR A 506 -4.949 -4.183 -0.630 1.00 44.44 N ATOM 75 CA THR A 506 -5.229 -2.834 -1.019 1.00 24.53 C ATOM 76 C THR A 506 -5.110 -1.958 0.209 1.00 12.42 C ATOM 77 O THR A 506 -5.216 -2.453 1.334 1.00 10.40 O ATOM 78 CB THR A 506 -6.671 -2.712 -1.640 1.00 52.25 C ATOM 79 OG1 THR A 506 -6.919 -1.381 -2.144 1.00 21.32 O ATOM 80 CG2 THR A 506 -7.755 -3.076 -0.624 1.00 11.23 C ATOM 0 H THR A 506 -5.352 -4.449 0.268 1.00 44.44 H new ATOM 0 HA THR A 506 -4.518 -2.517 -1.782 1.00 24.53 H new ATOM 0 HB THR A 506 -6.712 -3.419 -2.468 1.00 52.25 H new ATOM 0 HG1 THR A 506 -6.067 -0.911 -2.260 1.00 21.32 H new ATOM 0 HG21 THR A 506 -8.736 -2.980 -1.089 1.00 11.23 H new ATOM 0 HG22 THR A 506 -7.611 -4.104 -0.290 1.00 11.23 H new ATOM 0 HG23 THR A 506 -7.692 -2.404 0.232 1.00 11.23 H new ATOM 88 N PHE A 507 -4.855 -0.697 0.015 1.00 43.54 N ATOM 89 CA PHE A 507 -4.833 0.223 1.119 1.00 34.51 C ATOM 90 C PHE A 507 -6.237 0.641 1.417 1.00 70.54 C ATOM 91 O PHE A 507 -7.110 0.540 0.549 1.00 71.33 O ATOM 92 CB PHE A 507 -3.973 1.448 0.821 1.00 35.31 C ATOM 93 CG PHE A 507 -2.502 1.197 0.892 1.00 53.01 C ATOM 94 CD1 PHE A 507 -1.836 0.554 -0.130 1.00 62.02 C ATOM 95 CD2 PHE A 507 -1.781 1.628 1.987 1.00 41.22 C ATOM 96 CE1 PHE A 507 -0.479 0.338 -0.061 1.00 31.54 C ATOM 97 CE2 PHE A 507 -0.428 1.416 2.068 1.00 63.22 C ATOM 98 CZ PHE A 507 0.226 0.771 1.039 1.00 35.43 C ATOM 0 H PHE A 507 -4.659 -0.281 -0.895 1.00 43.54 H new ATOM 0 HA PHE A 507 -4.392 -0.276 1.982 1.00 34.51 H new ATOM 0 HB2 PHE A 507 -4.219 1.817 -0.175 1.00 35.31 H new ATOM 0 HB3 PHE A 507 -4.230 2.238 1.527 1.00 35.31 H new ATOM 0 HD1 PHE A 507 -2.386 0.216 -0.995 1.00 62.02 H new ATOM 0 HD2 PHE A 507 -2.289 2.139 2.791 1.00 41.22 H new ATOM 0 HE1 PHE A 507 0.031 -0.169 -0.867 1.00 31.54 H new ATOM 0 HE2 PHE A 507 0.123 1.753 2.934 1.00 63.22 H new ATOM 0 HZ PHE A 507 1.292 0.606 1.096 1.00 35.43 H new ATOM 108 N GLU A 508 -6.474 1.028 2.635 1.00 51.41 N ATOM 109 CA GLU A 508 -7.762 1.517 3.034 1.00 33.32 C ATOM 110 C GLU A 508 -7.933 2.959 2.538 1.00 41.33 C ATOM 111 O GLU A 508 -9.029 3.398 2.237 1.00 40.02 O ATOM 112 CB GLU A 508 -7.887 1.366 4.558 1.00 0.12 C ATOM 113 CG GLU A 508 -9.301 1.277 5.094 1.00 20.44 C ATOM 114 CD GLU A 508 -9.990 2.592 5.252 1.00 42.21 C ATOM 115 OE1 GLU A 508 -9.715 3.282 6.249 1.00 65.04 O ATOM 116 OE2 GLU A 508 -10.872 2.930 4.438 1.00 12.12 O ATOM 0 H GLU A 508 -5.779 1.014 3.382 1.00 51.41 H new ATOM 0 HA GLU A 508 -8.572 0.942 2.585 1.00 33.32 H new ATOM 0 HB2 GLU A 508 -7.346 0.470 4.862 1.00 0.12 H new ATOM 0 HB3 GLU A 508 -7.391 2.214 5.031 1.00 0.12 H new ATOM 0 HG2 GLU A 508 -9.891 0.651 4.424 1.00 20.44 H new ATOM 0 HG3 GLU A 508 -9.278 0.775 6.061 1.00 20.44 H new ATOM 123 N GLU A 509 -6.831 3.662 2.391 1.00 13.43 N ATOM 124 CA GLU A 509 -6.848 5.016 1.889 1.00 61.41 C ATOM 125 C GLU A 509 -5.653 5.212 0.952 1.00 43.41 C ATOM 126 O GLU A 509 -4.567 4.718 1.236 1.00 71.04 O ATOM 127 CB GLU A 509 -6.838 6.018 3.064 1.00 41.03 C ATOM 128 CG GLU A 509 -5.610 5.942 3.961 1.00 73.43 C ATOM 129 CD GLU A 509 -5.797 6.671 5.267 1.00 51.41 C ATOM 130 OE1 GLU A 509 -5.677 7.913 5.317 1.00 35.43 O ATOM 131 OE2 GLU A 509 -6.056 6.005 6.288 1.00 62.43 O ATOM 0 H GLU A 509 -5.900 3.311 2.616 1.00 13.43 H new ATOM 0 HA GLU A 509 -7.760 5.200 1.322 1.00 61.41 H new ATOM 0 HB2 GLU A 509 -6.914 7.028 2.662 1.00 41.03 H new ATOM 0 HB3 GLU A 509 -7.726 5.850 3.673 1.00 41.03 H new ATOM 0 HG2 GLU A 509 -5.377 4.897 4.163 1.00 73.43 H new ATOM 0 HG3 GLU A 509 -4.754 6.363 3.434 1.00 73.43 H new ATOM 138 N PRO A 510 -5.843 5.859 -0.217 1.00 72.21 N ATOM 139 CA PRO A 510 -4.741 6.108 -1.148 1.00 1.11 C ATOM 140 C PRO A 510 -3.981 7.378 -0.792 1.00 52.32 C ATOM 141 O PRO A 510 -2.894 7.626 -1.287 1.00 55.43 O ATOM 142 CB PRO A 510 -5.444 6.265 -2.492 1.00 22.41 C ATOM 143 CG PRO A 510 -6.806 6.802 -2.160 1.00 52.34 C ATOM 144 CD PRO A 510 -7.138 6.361 -0.746 1.00 42.45 C ATOM 0 HA PRO A 510 -3.998 5.310 -1.136 1.00 1.11 H new ATOM 0 HB2 PRO A 510 -4.899 6.947 -3.145 1.00 22.41 H new ATOM 0 HB3 PRO A 510 -5.513 5.311 -3.015 1.00 22.41 H new ATOM 0 HG2 PRO A 510 -6.818 7.889 -2.235 1.00 52.34 H new ATOM 0 HG3 PRO A 510 -7.549 6.425 -2.863 1.00 52.34 H new ATOM 0 HD2 PRO A 510 -7.520 7.189 -0.148 1.00 42.45 H new ATOM 0 HD3 PRO A 510 -7.902 5.583 -0.739 1.00 42.45 H new ATOM 152 N VAL A 511 -4.569 8.169 0.063 1.00 22.24 N ATOM 153 CA VAL A 511 -4.006 9.413 0.516 1.00 51.53 C ATOM 154 C VAL A 511 -4.269 9.523 1.987 1.00 63.14 C ATOM 155 O VAL A 511 -5.392 9.250 2.441 1.00 62.34 O ATOM 156 CB VAL A 511 -4.634 10.658 -0.211 1.00 10.45 C ATOM 157 CG1 VAL A 511 -4.132 11.946 0.394 1.00 42.34 C ATOM 158 CG2 VAL A 511 -4.336 10.652 -1.700 1.00 34.44 C ATOM 0 H VAL A 511 -5.478 7.961 0.476 1.00 22.24 H new ATOM 0 HA VAL A 511 -2.940 9.413 0.290 1.00 51.53 H new ATOM 0 HB VAL A 511 -5.713 10.591 -0.075 1.00 10.45 H new ATOM 0 HG11 VAL A 511 -4.581 12.792 -0.127 1.00 42.34 H new ATOM 0 HG12 VAL A 511 -4.404 11.983 1.449 1.00 42.34 H new ATOM 0 HG13 VAL A 511 -3.047 11.995 0.297 1.00 42.34 H new ATOM 0 HG21 VAL A 511 -4.787 11.528 -2.165 1.00 34.44 H new ATOM 0 HG22 VAL A 511 -3.257 10.674 -1.855 1.00 34.44 H new ATOM 0 HG23 VAL A 511 -4.749 9.749 -2.150 1.00 34.44 H new ATOM 168 N THR A 512 -3.270 9.889 2.717 1.00 44.35 N ATOM 169 CA THR A 512 -3.408 10.060 4.102 1.00 45.20 C ATOM 170 C THR A 512 -2.735 11.386 4.488 1.00 34.10 C ATOM 171 O THR A 512 -1.685 11.742 3.937 1.00 72.03 O ATOM 172 CB THR A 512 -2.825 8.830 4.892 1.00 12.11 C ATOM 173 OG1 THR A 512 -3.308 8.816 6.232 1.00 24.24 O ATOM 174 CG2 THR A 512 -1.310 8.817 4.909 1.00 34.53 C ATOM 0 H THR A 512 -2.334 10.076 2.356 1.00 44.35 H new ATOM 0 HA THR A 512 -4.462 10.107 4.375 1.00 45.20 H new ATOM 0 HB THR A 512 -3.165 7.938 4.366 1.00 12.11 H new ATOM 0 HG1 THR A 512 -4.242 8.520 6.240 1.00 24.24 H new ATOM 0 HG21 THR A 512 -0.960 7.948 5.467 1.00 34.53 H new ATOM 0 HG22 THR A 512 -0.935 8.767 3.887 1.00 34.53 H new ATOM 0 HG23 THR A 512 -0.944 9.726 5.386 1.00 34.53 H new ATOM 182 N HIS A 513 -3.384 12.153 5.325 1.00 23.12 N ATOM 183 CA HIS A 513 -2.820 13.403 5.800 1.00 10.53 C ATOM 184 C HIS A 513 -2.435 13.236 7.234 1.00 45.12 C ATOM 185 O HIS A 513 -3.294 13.022 8.097 1.00 42.45 O ATOM 186 CB HIS A 513 -3.784 14.591 5.631 1.00 4.33 C ATOM 187 CG HIS A 513 -4.005 15.016 4.208 1.00 12.21 C ATOM 188 ND1 HIS A 513 -3.586 16.222 3.701 1.00 54.32 N ATOM 189 CD2 HIS A 513 -4.622 14.373 3.183 1.00 53.24 C ATOM 190 CE1 HIS A 513 -3.942 16.281 2.414 1.00 73.43 C ATOM 191 NE2 HIS A 513 -4.580 15.175 2.044 1.00 70.22 N ATOM 0 H HIS A 513 -4.309 11.938 5.697 1.00 23.12 H new ATOM 0 HA HIS A 513 -1.944 13.636 5.195 1.00 10.53 H new ATOM 0 HB2 HIS A 513 -4.746 14.328 6.072 1.00 4.33 H new ATOM 0 HB3 HIS A 513 -3.397 15.440 6.194 1.00 4.33 H new ATOM 0 HD1 HIS A 513 -3.089 16.947 4.218 1.00 54.32 H new ATOM 0 HD2 HIS A 513 -5.074 13.394 3.241 1.00 53.24 H new ATOM 0 HE1 HIS A 513 -3.738 17.117 1.761 1.00 73.43 H new ATOM 199 N VAL A 514 -1.168 13.312 7.493 1.00 1.45 N ATOM 200 CA VAL A 514 -0.649 13.059 8.811 1.00 12.04 C ATOM 201 C VAL A 514 0.034 14.273 9.333 1.00 35.33 C ATOM 202 O VAL A 514 0.369 15.197 8.574 1.00 41.41 O ATOM 203 CB VAL A 514 0.328 11.834 8.840 1.00 12.52 C ATOM 204 CG1 VAL A 514 -0.330 10.588 8.261 1.00 53.33 C ATOM 205 CG2 VAL A 514 1.629 12.131 8.104 1.00 55.20 C ATOM 0 H VAL A 514 -0.459 13.551 6.800 1.00 1.45 H new ATOM 0 HA VAL A 514 -1.495 12.812 9.452 1.00 12.04 H new ATOM 0 HB VAL A 514 0.567 11.646 9.887 1.00 12.52 H new ATOM 0 HG11 VAL A 514 0.373 9.756 8.295 1.00 53.33 H new ATOM 0 HG12 VAL A 514 -1.216 10.339 8.846 1.00 53.33 H new ATOM 0 HG13 VAL A 514 -0.619 10.776 7.227 1.00 53.33 H new ATOM 0 HG21 VAL A 514 2.279 11.257 8.147 1.00 55.20 H new ATOM 0 HG22 VAL A 514 1.412 12.371 7.063 1.00 55.20 H new ATOM 0 HG23 VAL A 514 2.128 12.978 8.575 1.00 55.20 H new ATOM 215 N SER A 515 0.221 14.284 10.609 1.00 71.40 N ATOM 216 CA SER A 515 0.880 15.325 11.256 1.00 65.01 C ATOM 217 C SER A 515 2.368 15.104 11.106 1.00 32.32 C ATOM 218 O SER A 515 2.804 13.976 10.983 1.00 33.04 O ATOM 219 CB SER A 515 0.492 15.253 12.699 1.00 62.54 C ATOM 220 OG SER A 515 -0.903 15.417 12.863 1.00 34.51 O ATOM 0 H SER A 515 -0.095 13.541 11.232 1.00 71.40 H new ATOM 0 HA SER A 515 0.620 16.299 10.842 1.00 65.01 H new ATOM 0 HB2 SER A 515 0.799 14.293 13.113 1.00 62.54 H new ATOM 0 HB3 SER A 515 1.020 16.025 13.259 1.00 62.54 H new ATOM 0 HG SER A 515 -1.129 15.364 13.815 1.00 34.51 H new ATOM 226 N GLU A 516 3.137 16.148 11.056 1.00 23.50 N ATOM 227 CA GLU A 516 4.562 15.955 10.993 1.00 62.41 C ATOM 228 C GLU A 516 5.141 15.794 12.384 1.00 70.11 C ATOM 229 O GLU A 516 6.172 15.176 12.576 1.00 32.55 O ATOM 230 CB GLU A 516 5.240 17.089 10.277 1.00 44.41 C ATOM 231 CG GLU A 516 6.689 16.795 9.981 1.00 70.51 C ATOM 232 CD GLU A 516 7.315 17.874 9.238 1.00 11.04 C ATOM 233 OE1 GLU A 516 7.683 18.877 9.801 1.00 73.34 O ATOM 234 OE2 GLU A 516 7.438 17.826 8.039 1.00 73.22 O ATOM 0 H GLU A 516 2.820 17.117 11.057 1.00 23.50 H new ATOM 0 HA GLU A 516 4.745 15.042 10.427 1.00 62.41 H new ATOM 0 HB2 GLU A 516 4.715 17.292 9.344 1.00 44.41 H new ATOM 0 HB3 GLU A 516 5.172 17.992 10.884 1.00 44.41 H new ATOM 0 HG2 GLU A 516 7.227 16.637 10.916 1.00 70.51 H new ATOM 0 HG3 GLU A 516 6.763 15.869 9.410 1.00 70.51 H new ATOM 241 N SER A 517 4.433 16.283 13.349 1.00 74.25 N ATOM 242 CA SER A 517 4.884 16.272 14.718 1.00 1.13 C ATOM 243 C SER A 517 4.423 14.983 15.413 1.00 24.11 C ATOM 244 O SER A 517 4.229 14.939 16.628 1.00 12.21 O ATOM 245 CB SER A 517 4.316 17.509 15.387 1.00 4.45 C ATOM 246 OG SER A 517 4.638 18.659 14.601 1.00 34.12 O ATOM 0 H SER A 517 3.515 16.707 13.217 1.00 74.25 H new ATOM 0 HA SER A 517 5.972 16.290 14.780 1.00 1.13 H new ATOM 0 HB2 SER A 517 3.235 17.416 15.492 1.00 4.45 H new ATOM 0 HB3 SER A 517 4.726 17.614 16.392 1.00 4.45 H new ATOM 0 HG SER A 517 4.414 19.471 15.102 1.00 34.12 H new ATOM 252 N ILE A 518 4.310 13.940 14.634 1.00 54.32 N ATOM 253 CA ILE A 518 3.867 12.675 15.099 1.00 21.42 C ATOM 254 C ILE A 518 5.045 11.719 15.003 1.00 65.42 C ATOM 255 O ILE A 518 5.948 11.926 14.170 1.00 3.31 O ATOM 256 CB ILE A 518 2.686 12.184 14.223 1.00 34.15 C ATOM 257 CG1 ILE A 518 1.897 11.099 14.916 1.00 31.23 C ATOM 258 CG2 ILE A 518 3.156 11.693 12.855 1.00 42.42 C ATOM 259 CD1 ILE A 518 0.669 10.737 14.147 1.00 32.21 C ATOM 0 H ILE A 518 4.531 13.958 13.638 1.00 54.32 H new ATOM 0 HA ILE A 518 3.516 12.733 16.129 1.00 21.42 H new ATOM 0 HB ILE A 518 2.035 13.045 14.070 1.00 34.15 H new ATOM 0 HG12 ILE A 518 2.523 10.215 15.040 1.00 31.23 H new ATOM 0 HG13 ILE A 518 1.616 11.434 15.915 1.00 31.23 H new ATOM 0 HG21 ILE A 518 2.297 11.358 12.274 1.00 42.42 H new ATOM 0 HG22 ILE A 518 3.656 12.506 12.329 1.00 42.42 H new ATOM 0 HG23 ILE A 518 3.851 10.864 12.985 1.00 42.42 H new ATOM 0 HD11 ILE A 518 0.126 9.953 14.676 1.00 32.21 H new ATOM 0 HD12 ILE A 518 0.031 11.615 14.046 1.00 32.21 H new ATOM 0 HD13 ILE A 518 0.952 10.378 13.157 1.00 32.21 H new ATOM 271 N GLY A 519 5.082 10.743 15.854 1.00 45.24 N ATOM 272 CA GLY A 519 6.144 9.792 15.806 1.00 12.01 C ATOM 273 C GLY A 519 5.883 8.746 14.767 1.00 40.44 C ATOM 274 O GLY A 519 6.613 8.634 13.787 1.00 42.22 O ATOM 0 H GLY A 519 4.391 10.585 16.588 1.00 45.24 H new ATOM 0 HA2 GLY A 519 7.083 10.301 15.587 1.00 12.01 H new ATOM 0 HA3 GLY A 519 6.258 9.320 16.782 1.00 12.01 H new ATOM 278 N ILE A 520 4.817 8.019 14.958 1.00 1.20 N ATOM 279 CA ILE A 520 4.448 6.939 14.078 1.00 74.22 C ATOM 280 C ILE A 520 3.072 7.191 13.487 1.00 3.24 C ATOM 281 O ILE A 520 2.150 7.597 14.199 1.00 53.11 O ATOM 282 CB ILE A 520 4.435 5.572 14.849 1.00 40.25 C ATOM 283 CG1 ILE A 520 5.845 5.175 15.321 1.00 43.42 C ATOM 284 CG2 ILE A 520 3.805 4.445 14.024 1.00 73.34 C ATOM 285 CD1 ILE A 520 6.831 4.922 14.195 1.00 55.31 C ATOM 0 H ILE A 520 4.172 8.159 15.736 1.00 1.20 H new ATOM 0 HA ILE A 520 5.187 6.889 13.278 1.00 74.22 H new ATOM 0 HB ILE A 520 3.810 5.721 15.729 1.00 40.25 H new ATOM 0 HG12 ILE A 520 6.237 5.965 15.961 1.00 43.42 H new ATOM 0 HG13 ILE A 520 5.771 4.276 15.933 1.00 43.42 H new ATOM 0 HG21 ILE A 520 3.820 3.520 14.601 1.00 73.34 H new ATOM 0 HG22 ILE A 520 2.775 4.705 13.780 1.00 73.34 H new ATOM 0 HG23 ILE A 520 4.372 4.307 13.103 1.00 73.34 H new ATOM 0 HD11 ILE A 520 7.799 4.648 14.614 1.00 55.31 H new ATOM 0 HD12 ILE A 520 6.465 4.111 13.566 1.00 55.31 H new ATOM 0 HD13 ILE A 520 6.938 5.826 13.595 1.00 55.31 H new ATOM 297 N MET A 521 2.956 7.005 12.201 1.00 72.20 N ATOM 298 CA MET A 521 1.671 7.029 11.547 1.00 75.10 C ATOM 299 C MET A 521 1.435 5.652 10.980 1.00 61.25 C ATOM 300 O MET A 521 2.395 4.989 10.549 1.00 64.10 O ATOM 301 CB MET A 521 1.557 8.168 10.477 1.00 61.00 C ATOM 302 CG MET A 521 2.437 8.064 9.214 1.00 5.02 C ATOM 303 SD MET A 521 1.796 6.907 7.970 1.00 62.25 S ATOM 304 CE MET A 521 2.920 7.213 6.601 1.00 25.12 C ATOM 0 H MET A 521 3.744 6.833 11.577 1.00 72.20 H new ATOM 0 HA MET A 521 0.887 7.270 12.265 1.00 75.10 H new ATOM 0 HB2 MET A 521 0.517 8.222 10.156 1.00 61.00 H new ATOM 0 HB3 MET A 521 1.788 9.113 10.969 1.00 61.00 H new ATOM 0 HG2 MET A 521 2.530 9.053 8.764 1.00 5.02 H new ATOM 0 HG3 MET A 521 3.440 7.751 9.505 1.00 5.02 H new ATOM 0 HE1 MET A 521 3.089 6.285 6.055 1.00 25.12 H new ATOM 0 HE2 MET A 521 2.484 7.954 5.931 1.00 25.12 H new ATOM 0 HE3 MET A 521 3.869 7.585 6.986 1.00 25.12 H new ATOM 314 N GLU A 522 0.207 5.187 11.060 1.00 25.14 N ATOM 315 CA GLU A 522 -0.156 3.872 10.582 1.00 52.33 C ATOM 316 C GLU A 522 -1.310 3.936 9.619 1.00 62.44 C ATOM 317 O GLU A 522 -2.206 4.777 9.755 1.00 44.12 O ATOM 318 CB GLU A 522 -0.502 2.946 11.735 1.00 32.13 C ATOM 319 CG GLU A 522 0.685 2.454 12.528 1.00 35.24 C ATOM 320 CD GLU A 522 0.273 1.611 13.693 1.00 72.41 C ATOM 321 OE1 GLU A 522 -0.269 2.163 14.666 1.00 24.11 O ATOM 322 OE2 GLU A 522 0.492 0.372 13.668 1.00 43.35 O ATOM 0 H GLU A 522 -0.570 5.713 11.460 1.00 25.14 H new ATOM 0 HA GLU A 522 0.712 3.472 10.057 1.00 52.33 H new ATOM 0 HB2 GLU A 522 -1.182 3.467 12.410 1.00 32.13 H new ATOM 0 HB3 GLU A 522 -1.041 2.084 11.342 1.00 32.13 H new ATOM 0 HG2 GLU A 522 1.341 1.876 11.877 1.00 35.24 H new ATOM 0 HG3 GLU A 522 1.261 3.308 12.885 1.00 35.24 H new ATOM 329 N VAL A 523 -1.274 3.054 8.642 1.00 65.34 N ATOM 330 CA VAL A 523 -2.296 2.963 7.612 1.00 32.04 C ATOM 331 C VAL A 523 -2.696 1.509 7.458 1.00 13.15 C ATOM 332 O VAL A 523 -1.830 0.633 7.478 1.00 61.31 O ATOM 333 CB VAL A 523 -1.758 3.463 6.254 1.00 21.14 C ATOM 334 CG1 VAL A 523 -2.846 3.522 5.190 1.00 33.42 C ATOM 335 CG2 VAL A 523 -1.070 4.796 6.412 1.00 12.42 C ATOM 0 H VAL A 523 -0.525 2.369 8.537 1.00 65.34 H new ATOM 0 HA VAL A 523 -3.145 3.580 7.906 1.00 32.04 H new ATOM 0 HB VAL A 523 -1.022 2.737 5.908 1.00 21.14 H new ATOM 0 HG11 VAL A 523 -2.419 3.879 4.253 1.00 33.42 H new ATOM 0 HG12 VAL A 523 -3.265 2.526 5.042 1.00 33.42 H new ATOM 0 HG13 VAL A 523 -3.634 4.203 5.513 1.00 33.42 H new ATOM 0 HG21 VAL A 523 -0.698 5.131 5.444 1.00 12.42 H new ATOM 0 HG22 VAL A 523 -1.779 5.527 6.801 1.00 12.42 H new ATOM 0 HG23 VAL A 523 -0.235 4.695 7.106 1.00 12.42 H new ATOM 345 N LYS A 524 -3.974 1.264 7.301 1.00 13.54 N ATOM 346 CA LYS A 524 -4.517 -0.074 7.191 1.00 62.32 C ATOM 347 C LYS A 524 -4.445 -0.632 5.776 1.00 1.40 C ATOM 348 O LYS A 524 -4.781 0.045 4.791 1.00 31.14 O ATOM 349 CB LYS A 524 -5.952 -0.110 7.718 1.00 4.22 C ATOM 350 CG LYS A 524 -6.052 -0.018 9.235 1.00 3.24 C ATOM 351 CD LYS A 524 -5.658 -1.340 9.869 1.00 51.22 C ATOM 352 CE LYS A 524 -5.594 -1.285 11.382 1.00 15.45 C ATOM 353 NZ LYS A 524 -6.852 -0.836 12.008 1.00 74.21 N ATOM 0 H LYS A 524 -4.680 1.998 7.245 1.00 13.54 H new ATOM 0 HA LYS A 524 -3.892 -0.721 7.807 1.00 62.32 H new ATOM 0 HB2 LYS A 524 -6.512 0.714 7.276 1.00 4.22 H new ATOM 0 HB3 LYS A 524 -6.428 -1.033 7.387 1.00 4.22 H new ATOM 0 HG2 LYS A 524 -5.403 0.777 9.602 1.00 3.24 H new ATOM 0 HG3 LYS A 524 -7.070 0.243 9.524 1.00 3.24 H new ATOM 0 HD2 LYS A 524 -6.374 -2.106 9.570 1.00 51.22 H new ATOM 0 HD3 LYS A 524 -4.686 -1.645 9.482 1.00 51.22 H new ATOM 0 HE2 LYS A 524 -5.341 -2.274 11.763 1.00 15.45 H new ATOM 0 HE3 LYS A 524 -4.789 -0.613 11.680 1.00 15.45 H new ATOM 0 HZ1 LYS A 524 -6.762 -0.886 13.043 1.00 74.21 H new ATOM 0 HZ2 LYS A 524 -7.050 0.145 11.725 1.00 74.21 H new ATOM 0 HZ3 LYS A 524 -7.632 -1.450 11.698 1.00 74.21 H new ATOM 367 N VAL A 525 -3.984 -1.854 5.694 1.00 61.14 N ATOM 368 CA VAL A 525 -3.889 -2.599 4.446 1.00 32.34 C ATOM 369 C VAL A 525 -4.857 -3.735 4.548 1.00 12.11 C ATOM 370 O VAL A 525 -4.789 -4.507 5.496 1.00 30.12 O ATOM 371 CB VAL A 525 -2.494 -3.217 4.255 1.00 11.03 C ATOM 372 CG1 VAL A 525 -2.295 -3.733 2.833 1.00 13.44 C ATOM 373 CG2 VAL A 525 -1.426 -2.251 4.646 1.00 20.30 C ATOM 0 H VAL A 525 -3.655 -2.378 6.505 1.00 61.14 H new ATOM 0 HA VAL A 525 -4.091 -1.924 3.614 1.00 32.34 H new ATOM 0 HB VAL A 525 -2.420 -4.080 4.917 1.00 11.03 H new ATOM 0 HG11 VAL A 525 -1.298 -4.162 2.738 1.00 13.44 H new ATOM 0 HG12 VAL A 525 -3.041 -4.497 2.616 1.00 13.44 H new ATOM 0 HG13 VAL A 525 -2.404 -2.909 2.128 1.00 13.44 H new ATOM 0 HG21 VAL A 525 -0.449 -2.711 4.502 1.00 20.30 H new ATOM 0 HG22 VAL A 525 -1.500 -1.356 4.028 1.00 20.30 H new ATOM 0 HG23 VAL A 525 -1.548 -1.979 5.694 1.00 20.30 H new ATOM 383 N LEU A 526 -5.726 -3.850 3.615 1.00 60.32 N ATOM 384 CA LEU A 526 -6.740 -4.849 3.669 1.00 32.32 C ATOM 385 C LEU A 526 -6.277 -6.103 2.982 1.00 25.50 C ATOM 386 O LEU A 526 -5.586 -6.046 1.966 1.00 32.25 O ATOM 387 CB LEU A 526 -8.065 -4.371 3.029 1.00 23.23 C ATOM 388 CG LEU A 526 -8.746 -3.117 3.616 1.00 23.11 C ATOM 389 CD1 LEU A 526 -8.934 -3.208 5.116 1.00 33.42 C ATOM 390 CD2 LEU A 526 -8.014 -1.865 3.244 1.00 1.21 C ATOM 0 H LEU A 526 -5.760 -3.255 2.787 1.00 60.32 H new ATOM 0 HA LEU A 526 -6.930 -5.053 4.723 1.00 32.32 H new ATOM 0 HB2 LEU A 526 -7.876 -4.184 1.972 1.00 23.23 H new ATOM 0 HB3 LEU A 526 -8.778 -5.194 3.084 1.00 23.23 H new ATOM 0 HG LEU A 526 -9.740 -3.072 3.170 1.00 23.11 H new ATOM 0 HD11 LEU A 526 -9.417 -2.300 5.478 1.00 33.42 H new ATOM 0 HD12 LEU A 526 -9.557 -4.070 5.353 1.00 33.42 H new ATOM 0 HD13 LEU A 526 -7.963 -3.319 5.598 1.00 33.42 H new ATOM 0 HD21 LEU A 526 -8.524 -1.004 3.676 1.00 1.21 H new ATOM 0 HD22 LEU A 526 -6.994 -1.912 3.626 1.00 1.21 H new ATOM 0 HD23 LEU A 526 -7.990 -1.766 2.159 1.00 1.21 H new ATOM 402 N ARG A 527 -6.627 -7.213 3.568 1.00 53.15 N ATOM 403 CA ARG A 527 -6.396 -8.508 3.000 1.00 35.23 C ATOM 404 C ARG A 527 -7.760 -9.059 2.720 1.00 44.40 C ATOM 405 O ARG A 527 -8.432 -9.566 3.615 1.00 31.45 O ATOM 406 CB ARG A 527 -5.584 -9.387 3.982 1.00 62.01 C ATOM 407 CG ARG A 527 -5.356 -10.852 3.572 1.00 51.34 C ATOM 408 CD ARG A 527 -4.251 -11.461 4.449 1.00 44.43 C ATOM 409 NE ARG A 527 -3.992 -12.922 4.278 1.00 4.03 N ATOM 410 CZ ARG A 527 -3.589 -13.566 3.153 1.00 0.44 C ATOM 411 NH1 ARG A 527 -3.632 -12.969 1.968 1.00 45.21 N ATOM 412 NH2 ARG A 527 -3.150 -14.820 3.240 1.00 32.11 N ATOM 0 H ARG A 527 -7.092 -7.241 4.475 1.00 53.15 H new ATOM 0 HA ARG A 527 -5.803 -8.473 2.086 1.00 35.23 H new ATOM 0 HB2 ARG A 527 -4.610 -8.920 4.131 1.00 62.01 H new ATOM 0 HB3 ARG A 527 -6.093 -9.379 4.946 1.00 62.01 H new ATOM 0 HG2 ARG A 527 -6.279 -11.420 3.684 1.00 51.34 H new ATOM 0 HG3 ARG A 527 -5.073 -10.907 2.521 1.00 51.34 H new ATOM 0 HD2 ARG A 527 -3.323 -10.925 4.250 1.00 44.43 H new ATOM 0 HD3 ARG A 527 -4.506 -11.280 5.493 1.00 44.43 H new ATOM 0 HE ARG A 527 -4.135 -13.504 5.103 1.00 4.03 H new ATOM 0 HH11 ARG A 527 -3.972 -12.010 1.892 1.00 45.21 H new ATOM 0 HH12 ARG A 527 -3.325 -13.469 1.134 1.00 45.21 H new ATOM 0 HH21 ARG A 527 -3.119 -15.288 4.146 1.00 32.11 H new ATOM 0 HH22 ARG A 527 -2.845 -15.313 2.401 1.00 32.11 H new ATOM 426 N THR A 528 -8.192 -8.848 1.521 1.00 23.12 N ATOM 427 CA THR A 528 -9.516 -9.173 1.098 1.00 11.34 C ATOM 428 C THR A 528 -9.517 -10.142 -0.072 1.00 62.22 C ATOM 429 O THR A 528 -8.454 -10.633 -0.476 1.00 63.44 O ATOM 430 CB THR A 528 -10.255 -7.877 0.732 1.00 14.55 C ATOM 431 OG1 THR A 528 -9.337 -6.958 0.111 1.00 70.23 O ATOM 432 CG2 THR A 528 -10.892 -7.243 1.956 1.00 62.32 C ATOM 0 H THR A 528 -7.618 -8.433 0.787 1.00 23.12 H new ATOM 0 HA THR A 528 -10.030 -9.673 1.919 1.00 11.34 H new ATOM 0 HB THR A 528 -11.054 -8.119 0.031 1.00 14.55 H new ATOM 0 HG1 THR A 528 -9.810 -6.132 -0.124 1.00 70.23 H new ATOM 0 HG21 THR A 528 -11.407 -6.328 1.665 1.00 62.32 H new ATOM 0 HG22 THR A 528 -11.607 -7.938 2.395 1.00 62.32 H new ATOM 0 HG23 THR A 528 -10.119 -7.007 2.687 1.00 62.32 H new ATOM 440 N SER A 529 -10.704 -10.311 -0.677 1.00 21.34 N ATOM 441 CA SER A 529 -11.018 -11.294 -1.719 1.00 70.03 C ATOM 442 C SER A 529 -10.275 -12.653 -1.557 1.00 0.44 C ATOM 443 O SER A 529 -10.012 -13.351 -2.541 1.00 30.31 O ATOM 444 CB SER A 529 -10.673 -10.679 -3.073 1.00 62.11 C ATOM 445 OG SER A 529 -11.367 -9.450 -3.284 1.00 35.25 O ATOM 0 H SER A 529 -11.510 -9.734 -0.438 1.00 21.34 H new ATOM 0 HA SER A 529 -12.080 -11.526 -1.635 1.00 70.03 H new ATOM 0 HB2 SER A 529 -9.598 -10.505 -3.131 1.00 62.11 H new ATOM 0 HB3 SER A 529 -10.926 -11.381 -3.867 1.00 62.11 H new ATOM 0 HG SER A 529 -11.122 -9.082 -4.159 1.00 35.25 H new ATOM 451 N GLY A 530 -10.030 -13.045 -0.326 1.00 21.34 N ATOM 452 CA GLY A 530 -9.397 -14.284 -0.052 1.00 61.21 C ATOM 453 C GLY A 530 -8.235 -14.118 0.888 1.00 34.03 C ATOM 454 O GLY A 530 -7.615 -13.061 0.955 1.00 71.20 O ATOM 0 H GLY A 530 -10.270 -12.502 0.503 1.00 21.34 H new ATOM 0 HA2 GLY A 530 -10.120 -14.974 0.382 1.00 61.21 H new ATOM 0 HA3 GLY A 530 -9.050 -14.730 -0.984 1.00 61.21 H new ATOM 458 N ALA A 531 -7.959 -15.138 1.620 1.00 11.33 N ATOM 459 CA ALA A 531 -6.843 -15.165 2.522 1.00 31.31 C ATOM 460 C ALA A 531 -6.034 -16.417 2.223 1.00 11.10 C ATOM 461 O ALA A 531 -5.665 -16.620 1.068 1.00 51.24 O ATOM 462 CB ALA A 531 -7.311 -15.086 3.970 1.00 53.13 C ATOM 0 H ALA A 531 -8.508 -15.998 1.615 1.00 11.33 H new ATOM 0 HA ALA A 531 -6.204 -14.294 2.377 1.00 31.31 H new ATOM 0 HB1 ALA A 531 -6.447 -15.108 4.634 1.00 53.13 H new ATOM 0 HB2 ALA A 531 -7.863 -14.159 4.124 1.00 53.13 H new ATOM 0 HB3 ALA A 531 -7.959 -15.935 4.190 1.00 53.13 H new ATOM 468 N ARG A 532 -5.788 -17.256 3.239 1.00 33.50 N ATOM 469 CA ARG A 532 -5.030 -18.510 3.119 1.00 53.12 C ATOM 470 C ARG A 532 -3.541 -18.301 2.852 1.00 73.33 C ATOM 471 O ARG A 532 -3.136 -17.565 1.935 1.00 11.51 O ATOM 472 CB ARG A 532 -5.646 -19.420 2.061 1.00 53.50 C ATOM 473 CG ARG A 532 -7.053 -19.890 2.373 1.00 52.55 C ATOM 474 CD ARG A 532 -7.088 -20.785 3.591 1.00 13.32 C ATOM 475 NE ARG A 532 -8.453 -21.089 3.992 1.00 32.13 N ATOM 476 CZ ARG A 532 -8.791 -21.846 5.025 1.00 14.24 C ATOM 477 NH1 ARG A 532 -7.867 -22.561 5.670 1.00 14.32 N ATOM 478 NH2 ARG A 532 -10.058 -21.920 5.392 1.00 34.13 N ATOM 0 H ARG A 532 -6.117 -17.078 4.188 1.00 33.50 H new ATOM 0 HA ARG A 532 -5.099 -18.996 4.092 1.00 53.12 H new ATOM 0 HB2 ARG A 532 -5.657 -18.891 1.108 1.00 53.50 H new ATOM 0 HB3 ARG A 532 -5.005 -20.293 1.934 1.00 53.50 H new ATOM 0 HG2 ARG A 532 -7.697 -19.026 2.538 1.00 52.55 H new ATOM 0 HG3 ARG A 532 -7.455 -20.428 1.515 1.00 52.55 H new ATOM 0 HD2 ARG A 532 -6.556 -21.712 3.378 1.00 13.32 H new ATOM 0 HD3 ARG A 532 -6.565 -20.300 4.415 1.00 13.32 H new ATOM 0 HE ARG A 532 -9.208 -20.688 3.435 1.00 32.13 H new ATOM 0 HH11 ARG A 532 -6.893 -22.527 5.368 1.00 14.32 H new ATOM 0 HH12 ARG A 532 -8.135 -23.142 6.465 1.00 14.32 H new ATOM 0 HH21 ARG A 532 -10.768 -21.396 4.881 1.00 34.13 H new ATOM 0 HH22 ARG A 532 -10.326 -22.501 6.187 1.00 34.13 H new ATOM 492 N GLY A 533 -2.735 -18.926 3.675 1.00 53.21 N ATOM 493 CA GLY A 533 -1.310 -18.899 3.493 1.00 22.03 C ATOM 494 C GLY A 533 -0.649 -17.710 4.139 1.00 51.52 C ATOM 495 O GLY A 533 -1.312 -16.724 4.487 1.00 14.23 O ATOM 0 H GLY A 533 -3.048 -19.463 4.483 1.00 53.21 H new ATOM 0 HA2 GLY A 533 -0.881 -19.813 3.905 1.00 22.03 H new ATOM 0 HA3 GLY A 533 -1.087 -18.895 2.426 1.00 22.03 H new ATOM 499 N ASN A 534 0.634 -17.814 4.317 1.00 12.52 N ATOM 500 CA ASN A 534 1.447 -16.750 4.854 1.00 52.14 C ATOM 501 C ASN A 534 1.938 -15.937 3.695 1.00 15.04 C ATOM 502 O ASN A 534 2.542 -16.473 2.757 1.00 31.13 O ATOM 503 CB ASN A 534 2.631 -17.334 5.637 1.00 74.11 C ATOM 504 CG ASN A 534 3.599 -16.304 6.255 1.00 33.04 C ATOM 505 OD1 ASN A 534 4.790 -16.574 6.388 1.00 64.11 O ATOM 506 ND2 ASN A 534 3.119 -15.155 6.649 1.00 11.31 N ATOM 0 H ASN A 534 1.162 -18.657 4.090 1.00 12.52 H new ATOM 0 HA ASN A 534 0.870 -16.130 5.539 1.00 52.14 H new ATOM 0 HB2 ASN A 534 2.239 -17.962 6.437 1.00 74.11 H new ATOM 0 HB3 ASN A 534 3.198 -17.984 4.971 1.00 74.11 H new ATOM 0 HD21 ASN A 534 3.736 -14.464 7.076 1.00 11.31 H new ATOM 0 HD22 ASN A 534 2.127 -14.949 6.530 1.00 11.31 H new ATOM 513 N VAL A 535 1.647 -14.679 3.715 1.00 71.01 N ATOM 514 CA VAL A 535 2.026 -13.815 2.651 1.00 32.42 C ATOM 515 C VAL A 535 2.808 -12.659 3.197 1.00 2.22 C ATOM 516 O VAL A 535 2.370 -11.977 4.125 1.00 32.44 O ATOM 517 CB VAL A 535 0.802 -13.293 1.850 1.00 71.22 C ATOM 518 CG1 VAL A 535 1.256 -12.382 0.733 1.00 44.01 C ATOM 519 CG2 VAL A 535 0.028 -14.446 1.260 1.00 21.23 C ATOM 0 H VAL A 535 1.139 -14.222 4.472 1.00 71.01 H new ATOM 0 HA VAL A 535 2.642 -14.393 1.961 1.00 32.42 H new ATOM 0 HB VAL A 535 0.160 -12.739 2.535 1.00 71.22 H new ATOM 0 HG11 VAL A 535 0.388 -12.024 0.180 1.00 44.01 H new ATOM 0 HG12 VAL A 535 1.795 -11.533 1.153 1.00 44.01 H new ATOM 0 HG13 VAL A 535 1.913 -12.932 0.059 1.00 44.01 H new ATOM 0 HG21 VAL A 535 -0.826 -14.063 0.702 1.00 21.23 H new ATOM 0 HG22 VAL A 535 0.674 -15.013 0.590 1.00 21.23 H new ATOM 0 HG23 VAL A 535 -0.324 -15.096 2.061 1.00 21.23 H new ATOM 529 N ILE A 536 3.962 -12.468 2.663 1.00 24.45 N ATOM 530 CA ILE A 536 4.782 -11.372 3.046 1.00 10.22 C ATOM 531 C ILE A 536 4.641 -10.289 2.011 1.00 20.25 C ATOM 532 O ILE A 536 4.794 -10.540 0.815 1.00 43.41 O ATOM 533 CB ILE A 536 6.263 -11.791 3.224 1.00 42.10 C ATOM 534 CG1 ILE A 536 6.394 -12.813 4.362 1.00 55.10 C ATOM 535 CG2 ILE A 536 7.138 -10.588 3.489 1.00 11.53 C ATOM 536 CD1 ILE A 536 5.838 -12.323 5.685 1.00 61.31 C ATOM 0 H ILE A 536 4.366 -13.069 1.945 1.00 24.45 H new ATOM 0 HA ILE A 536 4.453 -11.001 4.017 1.00 10.22 H new ATOM 0 HB ILE A 536 6.600 -12.255 2.297 1.00 42.10 H new ATOM 0 HG12 ILE A 536 5.877 -13.729 4.077 1.00 55.10 H new ATOM 0 HG13 ILE A 536 7.446 -13.067 4.491 1.00 55.10 H new ATOM 0 HG21 ILE A 536 8.172 -10.910 3.610 1.00 11.53 H new ATOM 0 HG22 ILE A 536 7.069 -9.896 2.650 1.00 11.53 H new ATOM 0 HG23 ILE A 536 6.805 -10.089 4.399 1.00 11.53 H new ATOM 0 HD11 ILE A 536 5.965 -13.097 6.442 1.00 61.31 H new ATOM 0 HD12 ILE A 536 6.371 -11.423 5.993 1.00 61.31 H new ATOM 0 HD13 ILE A 536 4.778 -12.096 5.572 1.00 61.31 H new ATOM 548 N VAL A 537 4.294 -9.119 2.446 1.00 53.11 N ATOM 549 CA VAL A 537 4.080 -8.025 1.536 1.00 73.12 C ATOM 550 C VAL A 537 5.137 -6.944 1.746 1.00 34.05 C ATOM 551 O VAL A 537 5.127 -6.260 2.763 1.00 70.31 O ATOM 552 CB VAL A 537 2.661 -7.411 1.686 1.00 43.24 C ATOM 553 CG1 VAL A 537 2.408 -6.346 0.629 1.00 62.13 C ATOM 554 CG2 VAL A 537 1.596 -8.491 1.626 1.00 73.51 C ATOM 0 H VAL A 537 4.151 -8.890 3.430 1.00 53.11 H new ATOM 0 HA VAL A 537 4.164 -8.425 0.526 1.00 73.12 H new ATOM 0 HB VAL A 537 2.607 -6.932 2.664 1.00 43.24 H new ATOM 0 HG11 VAL A 537 1.407 -5.935 0.759 1.00 62.13 H new ATOM 0 HG12 VAL A 537 3.144 -5.549 0.732 1.00 62.13 H new ATOM 0 HG13 VAL A 537 2.491 -6.791 -0.363 1.00 62.13 H new ATOM 0 HG21 VAL A 537 0.611 -8.037 1.733 1.00 73.51 H new ATOM 0 HG22 VAL A 537 1.655 -9.007 0.668 1.00 73.51 H new ATOM 0 HG23 VAL A 537 1.756 -9.205 2.434 1.00 73.51 H new ATOM 564 N PRO A 538 6.082 -6.810 0.816 1.00 34.34 N ATOM 565 CA PRO A 538 7.119 -5.793 0.899 1.00 53.42 C ATOM 566 C PRO A 538 6.568 -4.413 0.569 1.00 24.42 C ATOM 567 O PRO A 538 5.645 -4.271 -0.252 1.00 44.15 O ATOM 568 CB PRO A 538 8.132 -6.227 -0.159 1.00 74.02 C ATOM 569 CG PRO A 538 7.325 -6.966 -1.162 1.00 3.13 C ATOM 570 CD PRO A 538 6.217 -7.633 -0.397 1.00 20.32 C ATOM 0 HA PRO A 538 7.545 -5.714 1.899 1.00 53.42 H new ATOM 0 HB2 PRO A 538 8.632 -5.368 -0.606 1.00 74.02 H new ATOM 0 HB3 PRO A 538 8.909 -6.860 0.270 1.00 74.02 H new ATOM 0 HG2 PRO A 538 6.925 -6.288 -1.916 1.00 3.13 H new ATOM 0 HG3 PRO A 538 7.934 -7.702 -1.686 1.00 3.13 H new ATOM 0 HD2 PRO A 538 5.291 -7.654 -0.971 1.00 20.32 H new ATOM 0 HD3 PRO A 538 6.465 -8.666 -0.154 1.00 20.32 H new ATOM 578 N TYR A 539 7.109 -3.421 1.195 1.00 12.34 N ATOM 579 CA TYR A 539 6.692 -2.073 0.984 1.00 10.04 C ATOM 580 C TYR A 539 7.888 -1.176 1.162 1.00 72.24 C ATOM 581 O TYR A 539 8.852 -1.560 1.835 1.00 12.44 O ATOM 582 CB TYR A 539 5.576 -1.686 1.981 1.00 45.13 C ATOM 583 CG TYR A 539 6.003 -1.679 3.440 1.00 75.23 C ATOM 584 CD1 TYR A 539 6.573 -0.549 4.006 1.00 33.54 C ATOM 585 CD2 TYR A 539 5.852 -2.799 4.238 1.00 24.53 C ATOM 586 CE1 TYR A 539 6.977 -0.536 5.311 1.00 24.23 C ATOM 587 CE2 TYR A 539 6.265 -2.791 5.555 1.00 24.53 C ATOM 588 CZ TYR A 539 6.826 -1.652 6.083 1.00 42.24 C ATOM 589 OH TYR A 539 7.272 -1.639 7.389 1.00 72.31 O ATOM 0 H TYR A 539 7.862 -3.524 1.875 1.00 12.34 H new ATOM 0 HA TYR A 539 6.289 -1.964 -0.023 1.00 10.04 H new ATOM 0 HB2 TYR A 539 5.203 -0.696 1.721 1.00 45.13 H new ATOM 0 HB3 TYR A 539 4.745 -2.381 1.863 1.00 45.13 H new ATOM 0 HD1 TYR A 539 6.700 0.338 3.404 1.00 33.54 H new ATOM 0 HD2 TYR A 539 5.405 -3.691 3.825 1.00 24.53 H new ATOM 0 HE1 TYR A 539 7.416 0.357 5.732 1.00 24.23 H new ATOM 0 HE2 TYR A 539 6.148 -3.673 6.167 1.00 24.53 H new ATOM 0 HH TYR A 539 7.910 -0.905 7.509 1.00 72.31 H new ATOM 599 N LYS A 540 7.839 -0.012 0.578 1.00 52.35 N ATOM 600 CA LYS A 540 8.907 0.943 0.711 1.00 42.41 C ATOM 601 C LYS A 540 8.406 2.366 0.523 1.00 72.23 C ATOM 602 O LYS A 540 7.390 2.590 -0.159 1.00 14.02 O ATOM 603 CB LYS A 540 10.124 0.582 -0.198 1.00 30.12 C ATOM 604 CG LYS A 540 9.834 0.317 -1.681 1.00 33.44 C ATOM 605 CD LYS A 540 9.529 1.579 -2.467 1.00 22.21 C ATOM 606 CE LYS A 540 9.238 1.270 -3.927 1.00 60.11 C ATOM 607 NZ LYS A 540 10.356 0.563 -4.599 1.00 60.54 N ATOM 0 H LYS A 540 7.061 0.303 -0.002 1.00 52.35 H new ATOM 0 HA LYS A 540 9.281 0.890 1.733 1.00 42.41 H new ATOM 0 HB2 LYS A 540 10.847 1.396 -0.135 1.00 30.12 H new ATOM 0 HB3 LYS A 540 10.605 -0.304 0.216 1.00 30.12 H new ATOM 0 HG2 LYS A 540 10.693 -0.183 -2.129 1.00 33.44 H new ATOM 0 HG3 LYS A 540 8.989 -0.367 -1.762 1.00 33.44 H new ATOM 0 HD2 LYS A 540 8.672 2.087 -2.024 1.00 22.21 H new ATOM 0 HD3 LYS A 540 10.375 2.264 -2.401 1.00 22.21 H new ATOM 0 HE2 LYS A 540 8.337 0.660 -3.992 1.00 60.11 H new ATOM 0 HE3 LYS A 540 9.032 2.200 -4.456 1.00 60.11 H new ATOM 0 HZ1 LYS A 540 10.204 0.572 -5.628 1.00 60.54 H new ATOM 0 HZ2 LYS A 540 11.253 1.041 -4.377 1.00 60.54 H new ATOM 0 HZ3 LYS A 540 10.396 -0.421 -4.264 1.00 60.54 H new ATOM 621 N THR A 541 9.068 3.289 1.166 1.00 73.10 N ATOM 622 CA THR A 541 8.744 4.689 1.109 1.00 5.23 C ATOM 623 C THR A 541 9.440 5.399 -0.076 1.00 74.34 C ATOM 624 O THR A 541 10.675 5.426 -0.171 1.00 43.14 O ATOM 625 CB THR A 541 9.149 5.351 2.448 1.00 44.21 C ATOM 626 OG1 THR A 541 10.340 4.714 2.954 1.00 54.43 O ATOM 627 CG2 THR A 541 8.072 5.204 3.495 1.00 23.44 C ATOM 0 H THR A 541 9.870 3.082 1.761 1.00 73.10 H new ATOM 0 HA THR A 541 7.670 4.788 0.950 1.00 5.23 H new ATOM 0 HB THR A 541 9.313 6.411 2.251 1.00 44.21 H new ATOM 0 HG1 THR A 541 11.088 4.890 2.346 1.00 54.43 H new ATOM 0 HG21 THR A 541 8.396 5.682 4.420 1.00 23.44 H new ATOM 0 HG22 THR A 541 7.155 5.678 3.143 1.00 23.44 H new ATOM 0 HG23 THR A 541 7.886 4.146 3.680 1.00 23.44 H new ATOM 635 N ILE A 542 8.652 5.936 -0.984 1.00 41.15 N ATOM 636 CA ILE A 542 9.180 6.695 -2.104 1.00 22.20 C ATOM 637 C ILE A 542 9.390 8.123 -1.631 1.00 4.12 C ATOM 638 O ILE A 542 8.450 8.750 -1.144 1.00 42.25 O ATOM 639 CB ILE A 542 8.247 6.690 -3.379 1.00 10.04 C ATOM 640 CG1 ILE A 542 8.047 5.278 -3.978 1.00 32.04 C ATOM 641 CG2 ILE A 542 8.767 7.635 -4.462 1.00 74.25 C ATOM 642 CD1 ILE A 542 7.098 4.380 -3.217 1.00 4.21 C ATOM 0 H ILE A 542 7.635 5.861 -0.970 1.00 41.15 H new ATOM 0 HA ILE A 542 10.111 6.222 -2.418 1.00 22.20 H new ATOM 0 HB ILE A 542 7.277 7.043 -3.029 1.00 10.04 H new ATOM 0 HG12 ILE A 542 7.681 5.383 -4.999 1.00 32.04 H new ATOM 0 HG13 ILE A 542 9.018 4.786 -4.037 1.00 32.04 H new ATOM 0 HG21 ILE A 542 8.099 7.604 -5.323 1.00 74.25 H new ATOM 0 HG22 ILE A 542 8.807 8.651 -4.070 1.00 74.25 H new ATOM 0 HG23 ILE A 542 9.766 7.324 -4.767 1.00 74.25 H new ATOM 0 HD11 ILE A 542 7.028 3.415 -3.719 1.00 4.21 H new ATOM 0 HD12 ILE A 542 7.469 4.235 -2.202 1.00 4.21 H new ATOM 0 HD13 ILE A 542 6.111 4.842 -3.180 1.00 4.21 H new ATOM 654 N GLU A 543 10.615 8.605 -1.769 1.00 31.35 N ATOM 655 CA GLU A 543 11.043 9.921 -1.284 1.00 23.44 C ATOM 656 C GLU A 543 10.167 11.062 -1.798 1.00 71.40 C ATOM 657 O GLU A 543 9.650 11.861 -1.009 1.00 41.10 O ATOM 658 CB GLU A 543 12.509 10.148 -1.643 1.00 32.44 C ATOM 659 CG GLU A 543 13.439 9.144 -0.984 1.00 63.03 C ATOM 660 CD GLU A 543 14.855 9.232 -1.472 1.00 34.43 C ATOM 661 OE1 GLU A 543 15.589 10.133 -1.055 1.00 13.52 O ATOM 662 OE2 GLU A 543 15.267 8.368 -2.298 1.00 4.24 O ATOM 0 H GLU A 543 11.361 8.085 -2.231 1.00 31.35 H new ATOM 0 HA GLU A 543 10.929 9.923 -0.200 1.00 23.44 H new ATOM 0 HB2 GLU A 543 12.627 10.089 -2.725 1.00 32.44 H new ATOM 0 HB3 GLU A 543 12.799 11.155 -1.345 1.00 32.44 H new ATOM 0 HG2 GLU A 543 13.424 9.300 0.095 1.00 63.03 H new ATOM 0 HG3 GLU A 543 13.062 8.137 -1.166 1.00 63.03 H new ATOM 669 N GLY A 544 10.007 11.145 -3.106 1.00 63.45 N ATOM 670 CA GLY A 544 9.168 12.169 -3.688 1.00 43.44 C ATOM 671 C GLY A 544 9.800 13.544 -3.603 1.00 1.53 C ATOM 672 O GLY A 544 10.528 13.954 -4.502 1.00 63.32 O ATOM 0 H GLY A 544 10.446 10.518 -3.780 1.00 63.45 H new ATOM 0 HA2 GLY A 544 8.972 11.925 -4.732 1.00 43.44 H new ATOM 0 HA3 GLY A 544 8.205 12.181 -3.177 1.00 43.44 H new ATOM 676 N THR A 545 9.522 14.245 -2.531 1.00 73.25 N ATOM 677 CA THR A 545 10.086 15.560 -2.294 1.00 62.31 C ATOM 678 C THR A 545 10.794 15.571 -0.928 1.00 64.32 C ATOM 679 O THR A 545 11.389 16.568 -0.509 1.00 71.20 O ATOM 680 CB THR A 545 8.987 16.682 -2.376 1.00 13.25 C ATOM 681 OG1 THR A 545 9.555 17.993 -2.196 1.00 23.14 O ATOM 682 CG2 THR A 545 7.888 16.461 -1.342 1.00 64.53 C ATOM 0 H THR A 545 8.896 13.922 -1.793 1.00 73.25 H new ATOM 0 HA THR A 545 10.815 15.776 -3.075 1.00 62.31 H new ATOM 0 HB THR A 545 8.552 16.621 -3.374 1.00 13.25 H new ATOM 0 HG1 THR A 545 10.252 17.956 -1.508 1.00 23.14 H new ATOM 0 HG21 THR A 545 7.145 17.254 -1.426 1.00 64.53 H new ATOM 0 HG22 THR A 545 7.411 15.497 -1.518 1.00 64.53 H new ATOM 0 HG23 THR A 545 8.321 16.474 -0.342 1.00 64.53 H new ATOM 690 N ALA A 546 10.744 14.441 -0.252 1.00 13.04 N ATOM 691 CA ALA A 546 11.359 14.304 1.040 1.00 25.21 C ATOM 692 C ALA A 546 12.759 13.711 0.890 1.00 54.14 C ATOM 693 O ALA A 546 13.176 13.367 -0.219 1.00 35.42 O ATOM 694 CB ALA A 546 10.491 13.436 1.928 1.00 32.34 C ATOM 0 H ALA A 546 10.276 13.599 -0.587 1.00 13.04 H new ATOM 0 HA ALA A 546 11.455 15.285 1.506 1.00 25.21 H new ATOM 0 HB1 ALA A 546 10.960 13.334 2.907 1.00 32.34 H new ATOM 0 HB2 ALA A 546 9.510 13.898 2.042 1.00 32.34 H new ATOM 0 HB3 ALA A 546 10.378 12.451 1.475 1.00 32.34 H new ATOM 700 N ARG A 547 13.478 13.607 1.987 1.00 60.23 N ATOM 701 CA ARG A 547 14.829 13.067 1.976 1.00 55.40 C ATOM 702 C ARG A 547 14.852 11.644 2.459 1.00 63.32 C ATOM 703 O ARG A 547 13.861 11.147 2.965 1.00 14.40 O ATOM 704 CB ARG A 547 15.832 13.920 2.784 1.00 2.23 C ATOM 705 CG ARG A 547 16.317 15.169 2.075 1.00 31.11 C ATOM 706 CD ARG A 547 15.213 16.165 1.862 1.00 74.20 C ATOM 707 NE ARG A 547 15.540 17.099 0.800 1.00 53.12 N ATOM 708 CZ ARG A 547 14.705 18.002 0.308 1.00 43.04 C ATOM 709 NH1 ARG A 547 13.628 18.377 0.991 1.00 55.41 N ATOM 710 NH2 ARG A 547 14.990 18.583 -0.837 1.00 70.44 N ATOM 0 H ARG A 547 13.149 13.892 2.909 1.00 60.23 H new ATOM 0 HA ARG A 547 15.151 13.096 0.935 1.00 55.40 H new ATOM 0 HB2 ARG A 547 15.365 14.211 3.725 1.00 2.23 H new ATOM 0 HB3 ARG A 547 16.695 13.302 3.034 1.00 2.23 H new ATOM 0 HG2 ARG A 547 17.113 15.631 2.659 1.00 31.11 H new ATOM 0 HG3 ARG A 547 16.747 14.894 1.112 1.00 31.11 H new ATOM 0 HD2 ARG A 547 14.290 15.640 1.616 1.00 74.20 H new ATOM 0 HD3 ARG A 547 15.031 16.712 2.787 1.00 74.20 H new ATOM 0 HE ARG A 547 16.479 17.057 0.405 1.00 53.12 H new ATOM 0 HH11 ARG A 547 13.436 17.968 1.906 1.00 55.41 H new ATOM 0 HH12 ARG A 547 12.993 19.073 0.600 1.00 55.41 H new ATOM 0 HH21 ARG A 547 15.845 18.337 -1.335 1.00 70.44 H new ATOM 0 HH22 ARG A 547 14.356 19.280 -1.227 1.00 70.44 H new ATOM 724 N GLY A 548 16.008 11.037 2.346 1.00 3.24 N ATOM 725 CA GLY A 548 16.203 9.632 2.656 1.00 65.42 C ATOM 726 C GLY A 548 15.947 9.221 4.106 1.00 35.15 C ATOM 727 O GLY A 548 15.554 10.038 4.969 1.00 72.24 O ATOM 0 H GLY A 548 16.856 11.508 2.032 1.00 3.24 H new ATOM 0 HA2 GLY A 548 15.548 9.045 2.012 1.00 65.42 H new ATOM 0 HA3 GLY A 548 17.228 9.363 2.399 1.00 65.42 H new ATOM 731 N GLY A 549 16.227 7.959 4.365 1.00 12.22 N ATOM 732 CA GLY A 549 15.976 7.334 5.637 1.00 24.41 C ATOM 733 C GLY A 549 16.674 7.984 6.794 1.00 41.31 C ATOM 734 O GLY A 549 17.897 8.125 6.801 1.00 61.23 O ATOM 0 H GLY A 549 16.644 7.331 3.678 1.00 12.22 H new ATOM 0 HA2 GLY A 549 14.902 7.340 5.826 1.00 24.41 H new ATOM 0 HA3 GLY A 549 16.284 6.290 5.582 1.00 24.41 H new ATOM 738 N GLY A 550 15.886 8.445 7.737 1.00 64.15 N ATOM 739 CA GLY A 550 16.406 9.029 8.944 1.00 20.11 C ATOM 740 C GLY A 550 16.753 10.480 8.764 1.00 54.01 C ATOM 741 O GLY A 550 17.299 11.108 9.670 1.00 72.24 O ATOM 0 H GLY A 550 14.867 8.424 7.686 1.00 64.15 H new ATOM 0 HA2 GLY A 550 15.670 8.929 9.742 1.00 20.11 H new ATOM 0 HA3 GLY A 550 17.294 8.480 9.259 1.00 20.11 H new ATOM 745 N GLU A 551 16.445 11.013 7.604 1.00 12.02 N ATOM 746 CA GLU A 551 16.726 12.388 7.311 1.00 14.34 C ATOM 747 C GLU A 551 15.426 13.179 7.419 1.00 3.24 C ATOM 748 O GLU A 551 15.256 13.975 8.330 1.00 53.52 O ATOM 749 CB GLU A 551 17.335 12.503 5.907 1.00 23.21 C ATOM 750 CG GLU A 551 17.928 13.858 5.573 1.00 52.51 C ATOM 751 CD GLU A 551 19.075 14.217 6.472 1.00 33.01 C ATOM 752 OE1 GLU A 551 20.188 13.655 6.296 1.00 54.23 O ATOM 753 OE2 GLU A 551 18.911 15.066 7.348 1.00 54.32 O ATOM 0 H GLU A 551 15.995 10.503 6.844 1.00 12.02 H new ATOM 0 HA GLU A 551 17.448 12.793 8.020 1.00 14.34 H new ATOM 0 HB2 GLU A 551 18.113 11.747 5.802 1.00 23.21 H new ATOM 0 HB3 GLU A 551 16.564 12.270 5.173 1.00 23.21 H new ATOM 0 HG2 GLU A 551 18.268 13.858 4.537 1.00 52.51 H new ATOM 0 HG3 GLU A 551 17.154 14.621 5.654 1.00 52.51 H new ATOM 760 N ASP A 552 14.497 12.916 6.512 1.00 21.54 N ATOM 761 CA ASP A 552 13.196 13.604 6.533 1.00 32.44 C ATOM 762 C ASP A 552 12.140 12.654 7.065 1.00 20.21 C ATOM 763 O ASP A 552 11.249 13.035 7.827 1.00 34.03 O ATOM 764 CB ASP A 552 12.809 14.070 5.131 1.00 22.41 C ATOM 765 CG ASP A 552 11.612 14.998 5.111 1.00 75.40 C ATOM 766 OD1 ASP A 552 10.482 14.549 5.224 1.00 33.43 O ATOM 767 OD2 ASP A 552 11.809 16.232 4.952 1.00 73.03 O ATOM 0 H ASP A 552 14.609 12.240 5.756 1.00 21.54 H new ATOM 0 HA ASP A 552 13.269 14.479 7.178 1.00 32.44 H new ATOM 0 HB2 ASP A 552 13.660 14.578 4.678 1.00 22.41 H new ATOM 0 HB3 ASP A 552 12.593 13.198 4.514 1.00 22.41 H new ATOM 772 N PHE A 553 12.262 11.405 6.675 1.00 15.00 N ATOM 773 CA PHE A 553 11.392 10.370 7.146 1.00 42.23 C ATOM 774 C PHE A 553 12.220 9.154 7.432 1.00 22.44 C ATOM 775 O PHE A 553 13.363 9.057 6.969 1.00 71.21 O ATOM 776 CB PHE A 553 10.269 10.036 6.138 1.00 3.12 C ATOM 777 CG PHE A 553 10.717 9.533 4.781 1.00 21.24 C ATOM 778 CD1 PHE A 553 11.046 8.204 4.585 1.00 73.12 C ATOM 779 CD2 PHE A 553 10.782 10.386 3.705 1.00 35.44 C ATOM 780 CE1 PHE A 553 11.436 7.746 3.344 1.00 52.01 C ATOM 781 CE2 PHE A 553 11.165 9.930 2.461 1.00 14.22 C ATOM 782 CZ PHE A 553 11.494 8.610 2.283 1.00 33.44 C ATOM 0 H PHE A 553 12.974 11.085 6.018 1.00 15.00 H new ATOM 0 HA PHE A 553 10.895 10.719 8.051 1.00 42.23 H new ATOM 0 HB2 PHE A 553 9.620 9.283 6.585 1.00 3.12 H new ATOM 0 HB3 PHE A 553 9.665 10.931 5.989 1.00 3.12 H new ATOM 0 HD1 PHE A 553 10.997 7.515 5.415 1.00 73.12 H new ATOM 0 HD2 PHE A 553 10.530 11.428 3.836 1.00 35.44 H new ATOM 0 HE1 PHE A 553 11.696 6.706 3.209 1.00 52.01 H new ATOM 0 HE2 PHE A 553 11.206 10.613 1.626 1.00 14.22 H new ATOM 0 HZ PHE A 553 11.798 8.254 1.310 1.00 33.44 H new ATOM 792 N GLU A 554 11.699 8.262 8.209 1.00 35.24 N ATOM 793 CA GLU A 554 12.370 7.033 8.483 1.00 74.42 C ATOM 794 C GLU A 554 11.969 6.093 7.355 1.00 31.43 C ATOM 795 O GLU A 554 10.795 5.734 7.225 1.00 2.11 O ATOM 796 CB GLU A 554 11.931 6.532 9.866 1.00 63.30 C ATOM 797 CG GLU A 554 12.802 5.466 10.529 1.00 33.22 C ATOM 798 CD GLU A 554 12.858 4.143 9.805 1.00 4.23 C ATOM 799 OE1 GLU A 554 11.904 3.354 9.903 1.00 72.23 O ATOM 800 OE2 GLU A 554 13.881 3.852 9.180 1.00 44.33 O ATOM 0 H GLU A 554 10.796 8.364 8.672 1.00 35.24 H new ATOM 0 HA GLU A 554 13.456 7.121 8.517 1.00 74.42 H new ATOM 0 HB2 GLU A 554 11.878 7.390 10.536 1.00 63.30 H new ATOM 0 HB3 GLU A 554 10.920 6.135 9.777 1.00 63.30 H new ATOM 0 HG2 GLU A 554 13.816 5.854 10.623 1.00 33.22 H new ATOM 0 HG3 GLU A 554 12.432 5.294 11.540 1.00 33.22 H new ATOM 807 N ASP A 555 12.931 5.786 6.498 1.00 74.45 N ATOM 808 CA ASP A 555 12.697 4.987 5.295 1.00 5.41 C ATOM 809 C ASP A 555 12.350 3.589 5.656 1.00 52.22 C ATOM 810 O ASP A 555 13.222 2.781 6.010 1.00 10.44 O ATOM 811 CB ASP A 555 13.908 5.023 4.351 1.00 43.32 C ATOM 812 CG ASP A 555 13.752 4.155 3.115 1.00 0.55 C ATOM 813 OD1 ASP A 555 12.893 4.452 2.272 1.00 14.42 O ATOM 814 OD2 ASP A 555 14.548 3.202 2.934 1.00 71.22 O ATOM 0 H ASP A 555 13.900 6.083 6.614 1.00 74.45 H new ATOM 0 HA ASP A 555 11.853 5.426 4.763 1.00 5.41 H new ATOM 0 HB2 ASP A 555 14.083 6.053 4.040 1.00 43.32 H new ATOM 0 HB3 ASP A 555 14.793 4.701 4.899 1.00 43.32 H new ATOM 819 N THR A 556 11.094 3.305 5.605 1.00 14.45 N ATOM 820 CA THR A 556 10.631 2.042 5.967 1.00 74.11 C ATOM 821 C THR A 556 10.426 1.188 4.727 1.00 32.15 C ATOM 822 O THR A 556 9.442 1.293 3.985 1.00 1.44 O ATOM 823 CB THR A 556 9.388 2.104 6.921 1.00 61.21 C ATOM 824 OG1 THR A 556 8.973 0.798 7.358 1.00 5.33 O ATOM 825 CG2 THR A 556 8.215 2.833 6.303 1.00 31.31 C ATOM 0 H THR A 556 10.368 3.957 5.307 1.00 14.45 H new ATOM 0 HA THR A 556 11.395 1.549 6.567 1.00 74.11 H new ATOM 0 HB THR A 556 9.719 2.672 7.791 1.00 61.21 H new ATOM 0 HG1 THR A 556 8.294 0.888 8.059 1.00 5.33 H new ATOM 0 HG21 THR A 556 7.383 2.846 7.007 1.00 31.31 H new ATOM 0 HG22 THR A 556 8.506 3.856 6.067 1.00 31.31 H new ATOM 0 HG23 THR A 556 7.910 2.323 5.389 1.00 31.31 H new ATOM 833 N CYS A 557 11.424 0.435 4.469 1.00 22.44 N ATOM 834 CA CYS A 557 11.445 -0.499 3.427 1.00 32.30 C ATOM 835 C CYS A 557 11.551 -1.859 4.060 1.00 41.23 C ATOM 836 O CYS A 557 12.637 -2.295 4.486 1.00 61.30 O ATOM 837 CB CYS A 557 12.599 -0.176 2.497 1.00 31.23 C ATOM 838 SG CYS A 557 14.118 0.291 3.369 1.00 32.21 S ATOM 0 H CYS A 557 12.289 0.459 5.009 1.00 22.44 H new ATOM 0 HA CYS A 557 10.543 -0.472 2.816 1.00 32.30 H new ATOM 0 HB2 CYS A 557 12.802 -1.042 1.868 1.00 31.23 H new ATOM 0 HB3 CYS A 557 12.305 0.638 1.834 1.00 31.23 H new ATOM 0 HG CYS A 557 14.528 1.447 2.938 1.00 32.21 H new ATOM 844 N GLY A 558 10.434 -2.492 4.188 1.00 63.14 N ATOM 845 CA GLY A 558 10.364 -3.695 4.905 1.00 25.34 C ATOM 846 C GLY A 558 9.262 -4.529 4.409 1.00 44.14 C ATOM 847 O GLY A 558 8.787 -4.334 3.283 1.00 32.32 O ATOM 0 H GLY A 558 9.547 -2.179 3.793 1.00 63.14 H new ATOM 0 HA2 GLY A 558 11.306 -4.235 4.812 1.00 25.34 H new ATOM 0 HA3 GLY A 558 10.220 -3.485 5.965 1.00 25.34 H new ATOM 851 N GLU A 559 8.790 -5.396 5.239 1.00 20.42 N ATOM 852 CA GLU A 559 7.844 -6.380 4.837 1.00 55.22 C ATOM 853 C GLU A 559 6.742 -6.528 5.874 1.00 73.24 C ATOM 854 O GLU A 559 7.006 -6.541 7.070 1.00 20.52 O ATOM 855 CB GLU A 559 8.586 -7.696 4.665 1.00 61.45 C ATOM 856 CG GLU A 559 9.660 -7.678 3.581 1.00 52.10 C ATOM 857 CD GLU A 559 10.547 -8.895 3.595 1.00 53.31 C ATOM 858 OE1 GLU A 559 11.395 -9.010 4.510 1.00 74.35 O ATOM 859 OE2 GLU A 559 10.426 -9.762 2.696 1.00 64.44 O ATOM 0 H GLU A 559 9.052 -5.442 6.224 1.00 20.42 H new ATOM 0 HA GLU A 559 7.373 -6.082 3.900 1.00 55.22 H new ATOM 0 HB2 GLU A 559 9.050 -7.964 5.614 1.00 61.45 H new ATOM 0 HB3 GLU A 559 7.864 -8.478 4.431 1.00 61.45 H new ATOM 0 HG2 GLU A 559 9.180 -7.599 2.606 1.00 52.10 H new ATOM 0 HG3 GLU A 559 10.276 -6.787 3.706 1.00 52.10 H new ATOM 866 N LEU A 560 5.523 -6.599 5.405 1.00 53.14 N ATOM 867 CA LEU A 560 4.372 -6.829 6.246 1.00 22.41 C ATOM 868 C LEU A 560 4.067 -8.306 6.280 1.00 22.20 C ATOM 869 O LEU A 560 4.117 -8.986 5.244 1.00 21.15 O ATOM 870 CB LEU A 560 3.157 -6.058 5.739 1.00 1.32 C ATOM 871 CG LEU A 560 3.193 -4.538 5.896 1.00 53.41 C ATOM 872 CD1 LEU A 560 1.970 -3.924 5.256 1.00 71.40 C ATOM 873 CD2 LEU A 560 3.272 -4.138 7.373 1.00 23.40 C ATOM 0 H LEU A 560 5.297 -6.498 4.416 1.00 53.14 H new ATOM 0 HA LEU A 560 4.599 -6.475 7.251 1.00 22.41 H new ATOM 0 HB2 LEU A 560 3.025 -6.288 4.682 1.00 1.32 H new ATOM 0 HB3 LEU A 560 2.275 -6.433 6.259 1.00 1.32 H new ATOM 0 HG LEU A 560 4.086 -4.164 5.396 1.00 53.41 H new ATOM 0 HD11 LEU A 560 2.003 -2.841 5.372 1.00 71.40 H new ATOM 0 HD12 LEU A 560 1.950 -4.175 4.195 1.00 71.40 H new ATOM 0 HD13 LEU A 560 1.073 -4.313 5.738 1.00 71.40 H new ATOM 0 HD21 LEU A 560 3.296 -3.051 7.455 1.00 23.40 H new ATOM 0 HD22 LEU A 560 2.399 -4.522 7.901 1.00 23.40 H new ATOM 0 HD23 LEU A 560 4.177 -4.555 7.815 1.00 23.40 H new ATOM 885 N GLU A 561 3.748 -8.790 7.442 1.00 43.44 N ATOM 886 CA GLU A 561 3.525 -10.188 7.663 1.00 52.22 C ATOM 887 C GLU A 561 2.032 -10.505 7.768 1.00 74.23 C ATOM 888 O GLU A 561 1.375 -10.162 8.762 1.00 72.01 O ATOM 889 CB GLU A 561 4.262 -10.587 8.934 1.00 1.21 C ATOM 890 CG GLU A 561 4.231 -12.049 9.281 1.00 60.21 C ATOM 891 CD GLU A 561 5.024 -12.318 10.522 1.00 71.12 C ATOM 892 OE1 GLU A 561 6.261 -12.375 10.441 1.00 53.34 O ATOM 893 OE2 GLU A 561 4.434 -12.438 11.621 1.00 2.14 O ATOM 0 H GLU A 561 3.633 -8.216 8.277 1.00 43.44 H new ATOM 0 HA GLU A 561 3.905 -10.760 6.817 1.00 52.22 H new ATOM 0 HB2 GLU A 561 5.303 -10.278 8.839 1.00 1.21 H new ATOM 0 HB3 GLU A 561 3.838 -10.027 9.767 1.00 1.21 H new ATOM 0 HG2 GLU A 561 3.200 -12.371 9.426 1.00 60.21 H new ATOM 0 HG3 GLU A 561 4.634 -12.632 8.453 1.00 60.21 H new ATOM 900 N PHE A 562 1.498 -11.114 6.737 1.00 5.43 N ATOM 901 CA PHE A 562 0.114 -11.540 6.721 1.00 2.12 C ATOM 902 C PHE A 562 0.042 -13.036 6.799 1.00 42.23 C ATOM 903 O PHE A 562 0.858 -13.735 6.209 1.00 41.22 O ATOM 904 CB PHE A 562 -0.593 -11.095 5.458 1.00 12.24 C ATOM 905 CG PHE A 562 -0.829 -9.633 5.345 1.00 4.15 C ATOM 906 CD1 PHE A 562 0.114 -8.809 4.773 1.00 32.31 C ATOM 907 CD2 PHE A 562 -2.020 -9.091 5.771 1.00 75.31 C ATOM 908 CE1 PHE A 562 -0.124 -7.462 4.631 1.00 3.32 C ATOM 909 CE2 PHE A 562 -2.273 -7.749 5.623 1.00 30.11 C ATOM 910 CZ PHE A 562 -1.321 -6.932 5.050 1.00 52.03 C ATOM 0 H PHE A 562 2.010 -11.330 5.882 1.00 5.43 H new ATOM 0 HA PHE A 562 -0.377 -11.084 7.580 1.00 2.12 H new ATOM 0 HB2 PHE A 562 -0.006 -11.419 4.599 1.00 12.24 H new ATOM 0 HB3 PHE A 562 -1.553 -11.607 5.399 1.00 12.24 H new ATOM 0 HD1 PHE A 562 1.051 -9.225 4.432 1.00 32.31 H new ATOM 0 HD2 PHE A 562 -2.764 -9.728 6.227 1.00 75.31 H new ATOM 0 HE1 PHE A 562 0.627 -6.823 4.192 1.00 3.32 H new ATOM 0 HE2 PHE A 562 -3.214 -7.335 5.954 1.00 30.11 H new ATOM 0 HZ PHE A 562 -1.516 -5.876 4.931 1.00 52.03 H new ATOM 920 N GLN A 563 -0.928 -13.532 7.482 1.00 54.14 N ATOM 921 CA GLN A 563 -1.067 -14.953 7.655 1.00 61.55 C ATOM 922 C GLN A 563 -2.395 -15.374 7.057 1.00 71.44 C ATOM 923 O GLN A 563 -3.033 -14.593 6.339 1.00 62.34 O ATOM 924 CB GLN A 563 -1.028 -15.286 9.142 1.00 75.41 C ATOM 925 CG GLN A 563 0.164 -14.703 9.890 1.00 40.04 C ATOM 926 CD GLN A 563 1.476 -15.339 9.521 1.00 34.43 C ATOM 927 OE1 GLN A 563 2.510 -14.696 9.542 1.00 44.14 O ATOM 928 NE2 GLN A 563 1.457 -16.604 9.232 1.00 25.52 N ATOM 0 H GLN A 563 -1.650 -12.976 7.939 1.00 54.14 H new ATOM 0 HA GLN A 563 -0.254 -15.483 7.158 1.00 61.55 H new ATOM 0 HB2 GLN A 563 -1.945 -14.923 9.607 1.00 75.41 H new ATOM 0 HB3 GLN A 563 -1.019 -16.370 9.258 1.00 75.41 H new ATOM 0 HG2 GLN A 563 0.220 -13.633 9.690 1.00 40.04 H new ATOM 0 HG3 GLN A 563 0.002 -14.819 10.962 1.00 40.04 H new ATOM 0 HE21 GLN A 563 0.573 -17.112 9.224 1.00 25.52 H new ATOM 0 HE22 GLN A 563 2.327 -17.090 9.013 1.00 25.52 H new ATOM 937 N ASN A 564 -2.820 -16.583 7.326 1.00 61.12 N ATOM 938 CA ASN A 564 -4.094 -17.040 6.825 1.00 30.01 C ATOM 939 C ASN A 564 -5.208 -16.470 7.674 1.00 33.43 C ATOM 940 O ASN A 564 -6.210 -15.990 7.160 1.00 44.34 O ATOM 941 CB ASN A 564 -4.177 -18.585 6.748 1.00 15.04 C ATOM 942 CG ASN A 564 -4.045 -19.318 8.082 1.00 72.31 C ATOM 943 OD1 ASN A 564 -3.366 -18.860 8.998 1.00 2.10 O ATOM 944 ND2 ASN A 564 -4.666 -20.464 8.186 1.00 72.42 N ATOM 0 H ASN A 564 -2.308 -17.265 7.885 1.00 61.12 H new ATOM 0 HA ASN A 564 -4.204 -16.678 5.803 1.00 30.01 H new ATOM 0 HB2 ASN A 564 -5.131 -18.858 6.296 1.00 15.04 H new ATOM 0 HB3 ASN A 564 -3.394 -18.941 6.079 1.00 15.04 H new ATOM 0 HD21 ASN A 564 -4.595 -21.006 9.047 1.00 72.42 H new ATOM 0 HD22 ASN A 564 -5.222 -20.816 7.406 1.00 72.42 H new ATOM 951 N ASP A 565 -4.994 -16.477 8.968 1.00 2.02 N ATOM 952 CA ASP A 565 -5.971 -15.951 9.914 1.00 23.11 C ATOM 953 C ASP A 565 -5.738 -14.465 10.158 1.00 43.43 C ATOM 954 O ASP A 565 -6.668 -13.709 10.432 1.00 72.12 O ATOM 955 CB ASP A 565 -5.914 -16.731 11.231 1.00 51.24 C ATOM 956 CG ASP A 565 -6.923 -16.252 12.254 1.00 33.23 C ATOM 957 OD1 ASP A 565 -8.118 -16.582 12.122 1.00 63.12 O ATOM 958 OD2 ASP A 565 -6.533 -15.561 13.223 1.00 60.25 O ATOM 0 H ASP A 565 -4.146 -16.843 9.401 1.00 2.02 H new ATOM 0 HA ASP A 565 -6.966 -16.073 9.485 1.00 23.11 H new ATOM 0 HB2 ASP A 565 -6.087 -17.788 11.027 1.00 51.24 H new ATOM 0 HB3 ASP A 565 -4.912 -16.647 11.652 1.00 51.24 H new ATOM 963 N GLU A 566 -4.493 -14.052 10.043 1.00 73.21 N ATOM 964 CA GLU A 566 -4.131 -12.659 10.238 1.00 33.13 C ATOM 965 C GLU A 566 -4.460 -11.852 8.991 1.00 74.14 C ATOM 966 O GLU A 566 -3.810 -12.009 7.937 1.00 44.14 O ATOM 967 CB GLU A 566 -2.638 -12.527 10.536 1.00 43.30 C ATOM 968 CG GLU A 566 -2.177 -11.119 10.888 1.00 52.42 C ATOM 969 CD GLU A 566 -2.681 -10.665 12.231 1.00 14.40 C ATOM 970 OE1 GLU A 566 -2.069 -11.022 13.254 1.00 44.23 O ATOM 971 OE2 GLU A 566 -3.694 -9.971 12.303 1.00 72.24 O ATOM 0 H GLU A 566 -3.709 -14.663 9.814 1.00 73.21 H new ATOM 0 HA GLU A 566 -4.702 -12.277 11.085 1.00 33.13 H new ATOM 0 HB2 GLU A 566 -2.387 -13.193 11.361 1.00 43.30 H new ATOM 0 HB3 GLU A 566 -2.077 -12.871 9.667 1.00 43.30 H new ATOM 0 HG2 GLU A 566 -1.088 -11.085 10.882 1.00 52.42 H new ATOM 0 HG3 GLU A 566 -2.522 -10.425 10.121 1.00 52.42 H new ATOM 978 N ILE A 567 -5.471 -11.041 9.087 1.00 12.04 N ATOM 979 CA ILE A 567 -5.810 -10.133 8.029 1.00 43.00 C ATOM 980 C ILE A 567 -5.499 -8.733 8.497 1.00 24.31 C ATOM 981 O ILE A 567 -5.331 -8.520 9.692 1.00 54.33 O ATOM 982 CB ILE A 567 -7.301 -10.175 7.604 1.00 71.04 C ATOM 983 CG1 ILE A 567 -8.211 -9.733 8.757 1.00 62.13 C ATOM 984 CG2 ILE A 567 -7.685 -11.568 7.113 1.00 44.11 C ATOM 985 CD1 ILE A 567 -9.467 -9.045 8.287 1.00 10.10 C ATOM 0 H ILE A 567 -6.085 -10.989 9.900 1.00 12.04 H new ATOM 0 HA ILE A 567 -5.226 -10.435 7.159 1.00 43.00 H new ATOM 0 HB ILE A 567 -7.437 -9.475 6.780 1.00 71.04 H new ATOM 0 HG12 ILE A 567 -8.482 -10.605 9.353 1.00 62.13 H new ATOM 0 HG13 ILE A 567 -7.658 -9.059 9.411 1.00 62.13 H new ATOM 0 HG21 ILE A 567 -8.735 -11.574 6.820 1.00 44.11 H new ATOM 0 HG22 ILE A 567 -7.068 -11.834 6.255 1.00 44.11 H new ATOM 0 HG23 ILE A 567 -7.527 -12.292 7.912 1.00 44.11 H new ATOM 0 HD11 ILE A 567 -10.068 -8.757 9.149 1.00 10.10 H new ATOM 0 HD12 ILE A 567 -9.202 -8.155 7.715 1.00 10.10 H new ATOM 0 HD13 ILE A 567 -10.040 -9.725 7.656 1.00 10.10 H new ATOM 997 N VAL A 568 -5.481 -7.795 7.556 1.00 73.45 N ATOM 998 CA VAL A 568 -5.177 -6.361 7.771 1.00 21.44 C ATOM 999 C VAL A 568 -3.762 -6.135 8.387 1.00 63.32 C ATOM 1000 O VAL A 568 -3.180 -7.027 8.994 1.00 52.33 O ATOM 1001 CB VAL A 568 -6.310 -5.588 8.574 1.00 5.32 C ATOM 1002 CG1 VAL A 568 -6.152 -5.661 10.089 1.00 1.33 C ATOM 1003 CG2 VAL A 568 -6.421 -4.149 8.118 1.00 52.41 C ATOM 0 H VAL A 568 -5.684 -8.008 6.579 1.00 73.45 H new ATOM 0 HA VAL A 568 -5.163 -5.917 6.776 1.00 21.44 H new ATOM 0 HB VAL A 568 -7.239 -6.109 8.340 1.00 5.32 H new ATOM 0 HG11 VAL A 568 -6.962 -5.110 10.566 1.00 1.33 H new ATOM 0 HG12 VAL A 568 -6.184 -6.703 10.408 1.00 1.33 H new ATOM 0 HG13 VAL A 568 -5.197 -5.222 10.377 1.00 1.33 H new ATOM 0 HG21 VAL A 568 -7.204 -3.647 8.686 1.00 52.41 H new ATOM 0 HG22 VAL A 568 -5.471 -3.641 8.283 1.00 52.41 H new ATOM 0 HG23 VAL A 568 -6.668 -4.122 7.057 1.00 52.41 H new ATOM 1013 N LYS A 569 -3.197 -4.975 8.179 1.00 43.54 N ATOM 1014 CA LYS A 569 -1.885 -4.668 8.722 1.00 0.13 C ATOM 1015 C LYS A 569 -1.736 -3.169 8.692 1.00 63.45 C ATOM 1016 O LYS A 569 -2.554 -2.496 8.053 1.00 31.24 O ATOM 1017 CB LYS A 569 -0.805 -5.288 7.828 1.00 64.44 C ATOM 1018 CG LYS A 569 0.427 -5.873 8.530 1.00 30.31 C ATOM 1019 CD LYS A 569 0.076 -7.084 9.376 1.00 14.24 C ATOM 1020 CE LYS A 569 0.067 -6.752 10.848 1.00 31.41 C ATOM 1021 NZ LYS A 569 1.431 -6.597 11.395 1.00 63.11 N ATOM 0 H LYS A 569 -3.620 -4.221 7.637 1.00 43.54 H new ATOM 0 HA LYS A 569 -1.782 -5.061 9.734 1.00 0.13 H new ATOM 0 HB2 LYS A 569 -1.267 -6.080 7.238 1.00 64.44 H new ATOM 0 HB3 LYS A 569 -0.466 -4.525 7.128 1.00 64.44 H new ATOM 0 HG2 LYS A 569 1.170 -6.155 7.784 1.00 30.31 H new ATOM 0 HG3 LYS A 569 0.882 -5.109 9.161 1.00 30.31 H new ATOM 0 HD2 LYS A 569 -0.903 -7.462 9.082 1.00 14.24 H new ATOM 0 HD3 LYS A 569 0.795 -7.881 9.187 1.00 14.24 H new ATOM 0 HE2 LYS A 569 -0.493 -5.831 11.007 1.00 31.41 H new ATOM 0 HE3 LYS A 569 -0.454 -7.540 11.393 1.00 31.41 H new ATOM 0 HZ1 LYS A 569 1.380 -6.488 12.428 1.00 63.11 H new ATOM 0 HZ2 LYS A 569 1.996 -7.439 11.163 1.00 63.11 H new ATOM 0 HZ3 LYS A 569 1.878 -5.755 10.979 1.00 63.11 H new ATOM 1035 N THR A 570 -0.752 -2.648 9.373 1.00 20.32 N ATOM 1036 CA THR A 570 -0.469 -1.237 9.339 1.00 45.35 C ATOM 1037 C THR A 570 0.980 -0.974 8.997 1.00 65.01 C ATOM 1038 O THR A 570 1.872 -1.695 9.457 1.00 3.52 O ATOM 1039 CB THR A 570 -0.794 -0.547 10.682 1.00 10.05 C ATOM 1040 OG1 THR A 570 -0.348 -1.337 11.791 1.00 12.45 O ATOM 1041 CG2 THR A 570 -2.257 -0.244 10.828 1.00 1.52 C ATOM 0 H THR A 570 -0.123 -3.188 9.967 1.00 20.32 H new ATOM 0 HA THR A 570 -1.110 -0.819 8.563 1.00 45.35 H new ATOM 0 HB THR A 570 -0.255 0.400 10.680 1.00 10.05 H new ATOM 0 HG1 THR A 570 0.158 -0.773 12.412 1.00 12.45 H new ATOM 0 HG21 THR A 570 -2.434 0.240 11.788 1.00 1.52 H new ATOM 0 HG22 THR A 570 -2.573 0.419 10.023 1.00 1.52 H new ATOM 0 HG23 THR A 570 -2.827 -1.172 10.779 1.00 1.52 H new ATOM 1049 N ILE A 571 1.222 0.013 8.167 1.00 43.54 N ATOM 1050 CA ILE A 571 2.579 0.439 7.925 1.00 63.21 C ATOM 1051 C ILE A 571 2.898 1.482 8.962 1.00 23.32 C ATOM 1052 O ILE A 571 2.248 2.519 9.006 1.00 2.13 O ATOM 1053 CB ILE A 571 2.843 1.060 6.495 1.00 72.31 C ATOM 1054 CG1 ILE A 571 2.636 0.058 5.358 1.00 41.00 C ATOM 1055 CG2 ILE A 571 4.261 1.589 6.407 1.00 10.01 C ATOM 1056 CD1 ILE A 571 1.219 -0.287 5.076 1.00 4.42 C ATOM 0 H ILE A 571 0.508 0.530 7.654 1.00 43.54 H new ATOM 0 HA ILE A 571 3.210 -0.448 7.978 1.00 63.21 H new ATOM 0 HB ILE A 571 2.116 1.863 6.377 1.00 72.31 H new ATOM 0 HG12 ILE A 571 3.083 0.464 4.450 1.00 41.00 H new ATOM 0 HG13 ILE A 571 3.176 -0.858 5.598 1.00 41.00 H new ATOM 0 HG21 ILE A 571 4.430 2.014 5.418 1.00 10.01 H new ATOM 0 HG22 ILE A 571 4.409 2.360 7.163 1.00 10.01 H new ATOM 0 HG23 ILE A 571 4.965 0.774 6.577 1.00 10.01 H new ATOM 0 HD11 ILE A 571 1.175 -1.003 4.255 1.00 4.42 H new ATOM 0 HD12 ILE A 571 0.768 -0.727 5.965 1.00 4.42 H new ATOM 0 HD13 ILE A 571 0.673 0.615 4.800 1.00 4.42 H new ATOM 1068 N SER A 572 3.824 1.187 9.820 1.00 0.10 N ATOM 1069 CA SER A 572 4.235 2.119 10.820 1.00 22.33 C ATOM 1070 C SER A 572 5.422 2.923 10.304 1.00 1.45 C ATOM 1071 O SER A 572 6.521 2.376 10.125 1.00 73.04 O ATOM 1072 CB SER A 572 4.580 1.358 12.106 1.00 60.54 C ATOM 1073 OG SER A 572 5.491 0.287 11.838 1.00 63.43 O ATOM 0 H SER A 572 4.315 0.294 9.846 1.00 0.10 H new ATOM 0 HA SER A 572 3.430 2.818 11.046 1.00 22.33 H new ATOM 0 HB2 SER A 572 5.021 2.042 12.831 1.00 60.54 H new ATOM 0 HB3 SER A 572 3.669 0.962 12.554 1.00 60.54 H new ATOM 0 HG SER A 572 6.184 0.595 11.217 1.00 63.43 H new ATOM 1079 N VAL A 573 5.197 4.184 10.025 1.00 4.40 N ATOM 1080 CA VAL A 573 6.239 5.047 9.511 1.00 2.22 C ATOM 1081 C VAL A 573 6.574 6.091 10.541 1.00 23.12 C ATOM 1082 O VAL A 573 5.668 6.739 11.094 1.00 22.52 O ATOM 1083 CB VAL A 573 5.814 5.774 8.205 1.00 60.33 C ATOM 1084 CG1 VAL A 573 6.960 6.603 7.623 1.00 75.15 C ATOM 1085 CG2 VAL A 573 5.285 4.800 7.176 1.00 71.35 C ATOM 0 H VAL A 573 4.293 4.641 10.146 1.00 4.40 H new ATOM 0 HA VAL A 573 7.099 4.416 9.288 1.00 2.22 H new ATOM 0 HB VAL A 573 5.007 6.457 8.469 1.00 60.33 H new ATOM 0 HG11 VAL A 573 6.625 7.097 6.711 1.00 75.15 H new ATOM 0 HG12 VAL A 573 7.271 7.354 8.349 1.00 75.15 H new ATOM 0 HG13 VAL A 573 7.802 5.950 7.394 1.00 75.15 H new ATOM 0 HG21 VAL A 573 4.997 5.343 6.276 1.00 71.35 H new ATOM 0 HG22 VAL A 573 6.060 4.074 6.930 1.00 71.35 H new ATOM 0 HG23 VAL A 573 4.416 4.280 7.580 1.00 71.35 H new ATOM 1095 N LYS A 574 7.842 6.234 10.817 1.00 24.12 N ATOM 1096 CA LYS A 574 8.314 7.238 11.718 1.00 20.21 C ATOM 1097 C LYS A 574 8.599 8.524 10.965 1.00 13.25 C ATOM 1098 O LYS A 574 9.366 8.542 9.981 1.00 13.34 O ATOM 1099 CB LYS A 574 9.554 6.758 12.477 1.00 61.43 C ATOM 1100 CG LYS A 574 10.175 7.806 13.387 1.00 21.52 C ATOM 1101 CD LYS A 574 11.364 7.249 14.126 1.00 54.32 C ATOM 1102 CE LYS A 574 11.989 8.288 15.038 1.00 20.24 C ATOM 1103 NZ LYS A 574 13.113 7.727 15.810 1.00 41.51 N ATOM 0 H LYS A 574 8.578 5.651 10.418 1.00 24.12 H new ATOM 0 HA LYS A 574 7.535 7.435 12.454 1.00 20.21 H new ATOM 0 HB2 LYS A 574 9.285 5.888 13.075 1.00 61.43 H new ATOM 0 HB3 LYS A 574 10.303 6.430 11.756 1.00 61.43 H new ATOM 0 HG2 LYS A 574 10.482 8.669 12.796 1.00 21.52 H new ATOM 0 HG3 LYS A 574 9.431 8.158 14.102 1.00 21.52 H new ATOM 0 HD2 LYS A 574 11.056 6.385 14.715 1.00 54.32 H new ATOM 0 HD3 LYS A 574 12.107 6.898 13.410 1.00 54.32 H new ATOM 0 HE2 LYS A 574 12.340 9.131 14.443 1.00 20.24 H new ATOM 0 HE3 LYS A 574 11.233 8.674 15.722 1.00 20.24 H new ATOM 0 HZ1 LYS A 574 13.516 8.465 16.422 1.00 41.51 H new ATOM 0 HZ2 LYS A 574 12.772 6.938 16.396 1.00 41.51 H new ATOM 0 HZ3 LYS A 574 13.845 7.382 15.157 1.00 41.51 H new ATOM 1117 N VAL A 575 7.979 9.573 11.401 1.00 32.35 N ATOM 1118 CA VAL A 575 8.161 10.859 10.802 1.00 3.41 C ATOM 1119 C VAL A 575 9.295 11.567 11.526 1.00 20.22 C ATOM 1120 O VAL A 575 9.345 11.580 12.766 1.00 61.02 O ATOM 1121 CB VAL A 575 6.860 11.702 10.860 1.00 74.45 C ATOM 1122 CG1 VAL A 575 7.047 13.033 10.146 1.00 33.02 C ATOM 1123 CG2 VAL A 575 5.695 10.935 10.242 1.00 10.23 C ATOM 0 H VAL A 575 7.328 9.563 12.187 1.00 32.35 H new ATOM 0 HA VAL A 575 8.410 10.735 9.748 1.00 3.41 H new ATOM 0 HB VAL A 575 6.633 11.899 11.908 1.00 74.45 H new ATOM 0 HG11 VAL A 575 6.122 13.608 10.199 1.00 33.02 H new ATOM 0 HG12 VAL A 575 7.850 13.593 10.625 1.00 33.02 H new ATOM 0 HG13 VAL A 575 7.303 12.853 9.102 1.00 33.02 H new ATOM 0 HG21 VAL A 575 4.792 11.543 10.292 1.00 10.23 H new ATOM 0 HG22 VAL A 575 5.921 10.707 9.200 1.00 10.23 H new ATOM 0 HG23 VAL A 575 5.538 10.007 10.791 1.00 10.23 H new ATOM 1133 N ILE A 576 10.212 12.108 10.771 1.00 52.33 N ATOM 1134 CA ILE A 576 11.369 12.764 11.322 1.00 12.23 C ATOM 1135 C ILE A 576 11.121 14.279 11.265 1.00 2.22 C ATOM 1136 O ILE A 576 10.210 14.740 10.565 1.00 12.53 O ATOM 1137 CB ILE A 576 12.660 12.390 10.505 1.00 54.34 C ATOM 1138 CG1 ILE A 576 12.776 10.869 10.306 1.00 33.53 C ATOM 1139 CG2 ILE A 576 13.920 12.907 11.170 1.00 74.41 C ATOM 1140 CD1 ILE A 576 12.886 10.054 11.568 1.00 21.24 C ATOM 0 H ILE A 576 10.179 12.107 9.752 1.00 52.33 H new ATOM 0 HA ILE A 576 11.527 12.443 12.352 1.00 12.23 H new ATOM 0 HB ILE A 576 12.559 12.871 9.532 1.00 54.34 H new ATOM 0 HG12 ILE A 576 11.905 10.526 9.748 1.00 33.53 H new ATOM 0 HG13 ILE A 576 13.650 10.667 9.687 1.00 33.53 H new ATOM 0 HG21 ILE A 576 14.788 12.627 10.573 1.00 74.41 H new ATOM 0 HG22 ILE A 576 13.870 13.993 11.250 1.00 74.41 H new ATOM 0 HG23 ILE A 576 14.010 12.474 12.166 1.00 74.41 H new ATOM 0 HD11 ILE A 576 12.963 8.997 11.313 1.00 21.24 H new ATOM 0 HD12 ILE A 576 13.774 10.359 12.122 1.00 21.24 H new ATOM 0 HD13 ILE A 576 12.001 10.216 12.184 1.00 21.24 H new ATOM 1152 N ASP A 577 11.846 15.028 12.045 1.00 52.34 N ATOM 1153 CA ASP A 577 11.731 16.487 12.042 1.00 21.12 C ATOM 1154 C ASP A 577 12.443 17.064 10.828 1.00 14.00 C ATOM 1155 O ASP A 577 13.447 16.508 10.370 1.00 24.25 O ATOM 1156 CB ASP A 577 12.273 17.102 13.344 1.00 40.31 C ATOM 1157 CG ASP A 577 13.741 16.847 13.590 1.00 60.15 C ATOM 1158 OD1 ASP A 577 14.119 15.698 13.898 1.00 31.30 O ATOM 1159 OD2 ASP A 577 14.541 17.799 13.538 1.00 52.23 O ATOM 0 H ASP A 577 12.534 14.663 12.703 1.00 52.34 H new ATOM 0 HA ASP A 577 10.673 16.743 11.983 1.00 21.12 H new ATOM 0 HB2 ASP A 577 12.102 18.178 13.322 1.00 40.31 H new ATOM 0 HB3 ASP A 577 11.702 16.706 14.184 1.00 40.31 H new ATOM 1164 N ASP A 578 11.930 18.173 10.308 1.00 31.44 N ATOM 1165 CA ASP A 578 12.470 18.750 9.081 1.00 3.12 C ATOM 1166 C ASP A 578 13.825 19.351 9.224 1.00 1.35 C ATOM 1167 O ASP A 578 14.114 20.123 10.155 1.00 60.34 O ATOM 1168 CB ASP A 578 11.540 19.721 8.353 1.00 13.23 C ATOM 1169 CG ASP A 578 10.615 19.044 7.370 1.00 52.24 C ATOM 1170 OD1 ASP A 578 11.096 18.198 6.530 1.00 43.44 O ATOM 1171 OD2 ASP A 578 9.391 19.338 7.394 1.00 72.21 O ATOM 0 H ASP A 578 11.147 18.688 10.712 1.00 31.44 H new ATOM 0 HA ASP A 578 12.564 17.867 8.449 1.00 3.12 H new ATOM 0 HB2 ASP A 578 10.944 20.261 9.088 1.00 13.23 H new ATOM 0 HB3 ASP A 578 12.141 20.461 7.824 1.00 13.23 H new ATOM 1176 N GLU A 579 14.631 18.978 8.292 1.00 64.24 N ATOM 1177 CA GLU A 579 15.997 19.383 8.142 1.00 52.35 C ATOM 1178 C GLU A 579 16.130 20.547 7.152 1.00 53.51 C ATOM 1179 O GLU A 579 17.069 21.334 7.231 1.00 62.54 O ATOM 1180 CB GLU A 579 16.855 18.182 7.681 1.00 0.43 C ATOM 1181 CG GLU A 579 16.074 16.900 7.280 1.00 60.01 C ATOM 1182 CD GLU A 579 15.141 17.052 6.085 1.00 74.12 C ATOM 1183 OE1 GLU A 579 15.584 16.935 4.964 1.00 11.13 O ATOM 1184 OE2 GLU A 579 13.902 17.325 6.286 1.00 52.14 O ATOM 0 H GLU A 579 14.337 18.334 7.557 1.00 64.24 H new ATOM 0 HA GLU A 579 16.357 19.730 9.111 1.00 52.35 H new ATOM 0 HB2 GLU A 579 17.458 18.497 6.829 1.00 0.43 H new ATOM 0 HB3 GLU A 579 17.547 17.926 8.484 1.00 0.43 H new ATOM 0 HG2 GLU A 579 16.793 16.111 7.061 1.00 60.01 H new ATOM 0 HG3 GLU A 579 15.488 16.568 8.137 1.00 60.01 H new ATOM 1191 N GLU A 580 15.203 20.655 6.234 1.00 22.12 N ATOM 1192 CA GLU A 580 15.212 21.726 5.265 1.00 25.21 C ATOM 1193 C GLU A 580 14.131 22.713 5.676 1.00 1.12 C ATOM 1194 O GLU A 580 13.538 22.552 6.754 1.00 24.45 O ATOM 1195 CB GLU A 580 14.987 21.200 3.796 1.00 70.23 C ATOM 1196 CG GLU A 580 13.567 20.702 3.427 1.00 3.15 C ATOM 1197 CD GLU A 580 13.095 19.509 4.209 1.00 10.34 C ATOM 1198 OE1 GLU A 580 12.921 19.572 5.384 1.00 3.13 O ATOM 1199 OE2 GLU A 580 12.841 18.430 3.692 1.00 13.12 O ATOM 0 H GLU A 580 14.422 20.006 6.136 1.00 22.12 H new ATOM 0 HA GLU A 580 16.189 22.210 5.254 1.00 25.21 H new ATOM 0 HB2 GLU A 580 15.253 22.002 3.107 1.00 70.23 H new ATOM 0 HB3 GLU A 580 15.687 20.383 3.620 1.00 70.23 H new ATOM 0 HG2 GLU A 580 12.861 21.519 3.576 1.00 3.15 H new ATOM 0 HG3 GLU A 580 13.549 20.454 2.366 1.00 3.15 H new ATOM 1206 N TYR A 581 13.882 23.734 4.877 1.00 61.50 N ATOM 1207 CA TYR A 581 12.804 24.651 5.188 1.00 72.43 C ATOM 1208 C TYR A 581 11.515 23.877 4.987 1.00 31.41 C ATOM 1209 O TYR A 581 11.438 23.016 4.089 1.00 65.42 O ATOM 1210 CB TYR A 581 12.837 25.902 4.283 1.00 75.31 C ATOM 1211 CG TYR A 581 12.349 25.670 2.870 1.00 72.42 C ATOM 1212 CD1 TYR A 581 13.172 25.130 1.894 1.00 75.42 C ATOM 1213 CD2 TYR A 581 11.044 25.983 2.526 1.00 55.40 C ATOM 1214 CE1 TYR A 581 12.702 24.904 0.620 1.00 53.10 C ATOM 1215 CE2 TYR A 581 10.572 25.762 1.268 1.00 20.15 C ATOM 1216 CZ TYR A 581 11.400 25.224 0.313 1.00 41.54 C ATOM 1217 OH TYR A 581 10.917 25.007 -0.952 1.00 62.10 O ATOM 0 H TYR A 581 14.400 23.946 4.025 1.00 61.50 H new ATOM 0 HA TYR A 581 12.897 25.016 6.211 1.00 72.43 H new ATOM 0 HB2 TYR A 581 12.228 26.681 4.740 1.00 75.31 H new ATOM 0 HB3 TYR A 581 13.859 26.279 4.243 1.00 75.31 H new ATOM 0 HD1 TYR A 581 14.195 24.883 2.136 1.00 75.42 H new ATOM 0 HD2 TYR A 581 10.388 26.411 3.270 1.00 55.40 H new ATOM 0 HE1 TYR A 581 13.350 24.479 -0.132 1.00 53.10 H new ATOM 0 HE2 TYR A 581 9.550 26.009 1.022 1.00 20.15 H new ATOM 0 HH TYR A 581 9.979 25.288 -0.997 1.00 62.10 H new ATOM 1227 N GLU A 582 10.528 24.126 5.765 1.00 44.21 N ATOM 1228 CA GLU A 582 9.379 23.324 5.629 1.00 73.44 C ATOM 1229 C GLU A 582 8.285 23.822 4.736 1.00 70.23 C ATOM 1230 O GLU A 582 7.743 24.921 4.879 1.00 42.41 O ATOM 1231 CB GLU A 582 8.939 22.586 6.880 1.00 24.14 C ATOM 1232 CG GLU A 582 8.821 23.394 8.160 1.00 43.44 C ATOM 1233 CD GLU A 582 8.494 22.472 9.309 1.00 63.54 C ATOM 1234 OE1 GLU A 582 8.497 21.222 9.090 1.00 22.43 O ATOM 1235 OE2 GLU A 582 8.209 22.931 10.441 1.00 72.15 O ATOM 0 H GLU A 582 10.493 24.854 6.479 1.00 44.21 H new ATOM 0 HA GLU A 582 9.773 22.523 5.004 1.00 73.44 H new ATOM 0 HB2 GLU A 582 7.970 22.129 6.679 1.00 24.14 H new ATOM 0 HB3 GLU A 582 9.644 21.774 7.058 1.00 24.14 H new ATOM 0 HG2 GLU A 582 9.754 23.921 8.357 1.00 43.44 H new ATOM 0 HG3 GLU A 582 8.044 24.151 8.055 1.00 43.44 H new ATOM 1242 N LYS A 583 8.039 22.986 3.779 1.00 15.44 N ATOM 1243 CA LYS A 583 7.047 23.110 2.775 1.00 72.25 C ATOM 1244 C LYS A 583 6.253 21.842 2.804 1.00 42.24 C ATOM 1245 O LYS A 583 6.665 20.889 3.484 1.00 35.14 O ATOM 1246 CB LYS A 583 7.720 23.365 1.407 1.00 71.13 C ATOM 1247 CG LYS A 583 8.945 22.492 1.126 1.00 72.55 C ATOM 1248 CD LYS A 583 8.622 21.057 0.735 1.00 62.42 C ATOM 1249 CE LYS A 583 8.362 20.916 -0.756 1.00 21.02 C ATOM 1250 NZ LYS A 583 7.150 21.591 -1.249 1.00 32.41 N ATOM 0 H LYS A 583 8.578 22.126 3.677 1.00 15.44 H new ATOM 0 HA LYS A 583 6.382 23.956 2.948 1.00 72.25 H new ATOM 0 HB2 LYS A 583 6.985 23.201 0.619 1.00 71.13 H new ATOM 0 HB3 LYS A 583 8.017 24.412 1.353 1.00 71.13 H new ATOM 0 HG2 LYS A 583 9.526 22.951 0.326 1.00 72.55 H new ATOM 0 HG3 LYS A 583 9.578 22.480 2.013 1.00 72.55 H new ATOM 0 HD2 LYS A 583 9.450 20.408 1.021 1.00 62.42 H new ATOM 0 HD3 LYS A 583 7.746 20.719 1.289 1.00 62.42 H new ATOM 0 HE2 LYS A 583 9.223 21.309 -1.297 1.00 21.02 H new ATOM 0 HE3 LYS A 583 8.291 19.855 -0.997 1.00 21.02 H new ATOM 0 HZ1 LYS A 583 6.928 21.250 -2.206 1.00 32.41 H new ATOM 0 HZ2 LYS A 583 6.354 21.382 -0.613 1.00 32.41 H new ATOM 0 HZ3 LYS A 583 7.311 22.618 -1.276 1.00 32.41 H new ATOM 1264 N ASN A 584 5.167 21.796 2.088 1.00 31.13 N ATOM 1265 CA ASN A 584 4.322 20.615 2.102 1.00 14.45 C ATOM 1266 C ASN A 584 5.052 19.466 1.448 1.00 23.41 C ATOM 1267 O ASN A 584 5.453 19.539 0.275 1.00 34.13 O ATOM 1268 CB ASN A 584 2.966 20.878 1.459 1.00 13.22 C ATOM 1269 CG ASN A 584 2.027 19.707 1.593 1.00 45.33 C ATOM 1270 OD1 ASN A 584 1.927 18.857 0.706 1.00 10.24 O ATOM 1271 ND2 ASN A 584 1.369 19.627 2.716 1.00 61.31 N ATOM 0 H ASN A 584 4.839 22.552 1.487 1.00 31.13 H new ATOM 0 HA ASN A 584 4.112 20.346 3.137 1.00 14.45 H new ATOM 0 HB2 ASN A 584 2.514 21.757 1.919 1.00 13.22 H new ATOM 0 HB3 ASN A 584 3.107 21.108 0.403 1.00 13.22 H new ATOM 0 HD21 ASN A 584 0.743 18.839 2.886 1.00 61.31 H new ATOM 0 HD22 ASN A 584 1.480 20.352 3.425 1.00 61.31 H new ATOM 1278 N LYS A 585 5.254 18.440 2.212 1.00 71.32 N ATOM 1279 CA LYS A 585 6.076 17.342 1.840 1.00 11.50 C ATOM 1280 C LYS A 585 5.271 16.050 1.893 1.00 61.55 C ATOM 1281 O LYS A 585 4.412 15.878 2.758 1.00 74.43 O ATOM 1282 CB LYS A 585 7.350 17.399 2.753 1.00 64.33 C ATOM 1283 CG LYS A 585 8.220 16.157 2.915 1.00 3.43 C ATOM 1284 CD LYS A 585 7.633 15.160 3.916 1.00 43.40 C ATOM 1285 CE LYS A 585 7.415 15.769 5.325 1.00 43.25 C ATOM 1286 NZ LYS A 585 8.657 16.302 5.937 1.00 44.14 N ATOM 0 H LYS A 585 4.838 18.344 3.138 1.00 71.32 H new ATOM 0 HA LYS A 585 6.422 17.388 0.807 1.00 11.50 H new ATOM 0 HB2 LYS A 585 7.988 18.196 2.372 1.00 64.33 H new ATOM 0 HB3 LYS A 585 7.024 17.700 3.749 1.00 64.33 H new ATOM 0 HG2 LYS A 585 8.337 15.670 1.947 1.00 3.43 H new ATOM 0 HG3 LYS A 585 9.216 16.455 3.244 1.00 3.43 H new ATOM 0 HD2 LYS A 585 6.681 14.790 3.535 1.00 43.40 H new ATOM 0 HD3 LYS A 585 8.299 14.301 3.997 1.00 43.40 H new ATOM 0 HE2 LYS A 585 6.680 16.571 5.256 1.00 43.25 H new ATOM 0 HE3 LYS A 585 6.994 15.007 5.981 1.00 43.25 H new ATOM 0 HZ1 LYS A 585 8.451 16.647 6.896 1.00 44.14 H new ATOM 0 HZ2 LYS A 585 9.371 15.547 5.987 1.00 44.14 H new ATOM 0 HZ3 LYS A 585 9.021 17.085 5.358 1.00 44.14 H new ATOM 1300 N THR A 586 5.526 15.166 0.958 1.00 34.35 N ATOM 1301 CA THR A 586 4.770 13.954 0.831 1.00 11.12 C ATOM 1302 C THR A 586 5.637 12.837 0.296 1.00 1.31 C ATOM 1303 O THR A 586 6.552 13.065 -0.510 1.00 15.12 O ATOM 1304 CB THR A 586 3.474 14.189 -0.054 1.00 53.01 C ATOM 1305 OG1 THR A 586 2.717 12.997 -0.238 1.00 53.32 O ATOM 1306 CG2 THR A 586 3.799 14.758 -1.414 1.00 1.43 C ATOM 0 H THR A 586 6.267 15.272 0.265 1.00 34.35 H new ATOM 0 HA THR A 586 4.429 13.648 1.820 1.00 11.12 H new ATOM 0 HB THR A 586 2.880 14.911 0.507 1.00 53.01 H new ATOM 0 HG1 THR A 586 2.887 12.383 0.507 1.00 53.32 H new ATOM 0 HG21 THR A 586 2.878 14.900 -1.979 1.00 1.43 H new ATOM 0 HG22 THR A 586 4.303 15.717 -1.296 1.00 1.43 H new ATOM 0 HG23 THR A 586 4.451 14.069 -1.950 1.00 1.43 H new ATOM 1314 N PHE A 587 5.379 11.664 0.816 1.00 71.30 N ATOM 1315 CA PHE A 587 6.033 10.462 0.428 1.00 2.10 C ATOM 1316 C PHE A 587 5.008 9.397 0.126 1.00 2.24 C ATOM 1317 O PHE A 587 3.910 9.393 0.707 1.00 42.40 O ATOM 1318 CB PHE A 587 7.100 9.993 1.452 1.00 41.40 C ATOM 1319 CG PHE A 587 6.784 10.142 2.937 1.00 23.21 C ATOM 1320 CD1 PHE A 587 5.909 9.286 3.613 1.00 31.32 C ATOM 1321 CD2 PHE A 587 7.436 11.116 3.667 1.00 33.00 C ATOM 1322 CE1 PHE A 587 5.712 9.416 4.981 1.00 75.33 C ATOM 1323 CE2 PHE A 587 7.233 11.251 5.026 1.00 32.15 C ATOM 1324 CZ PHE A 587 6.373 10.397 5.684 1.00 62.25 C ATOM 0 H PHE A 587 4.681 11.526 1.547 1.00 71.30 H new ATOM 0 HA PHE A 587 6.595 10.665 -0.484 1.00 2.10 H new ATOM 0 HB2 PHE A 587 7.308 8.940 1.259 1.00 41.40 H new ATOM 0 HB3 PHE A 587 8.020 10.542 1.250 1.00 41.40 H new ATOM 0 HD1 PHE A 587 5.382 8.518 3.067 1.00 31.32 H new ATOM 0 HD2 PHE A 587 8.118 11.786 3.165 1.00 33.00 H new ATOM 0 HE1 PHE A 587 5.039 8.746 5.495 1.00 75.33 H new ATOM 0 HE2 PHE A 587 7.748 12.026 5.574 1.00 32.15 H new ATOM 0 HZ PHE A 587 6.219 10.498 6.748 1.00 62.25 H new ATOM 1334 N PHE A 588 5.335 8.535 -0.794 1.00 72.33 N ATOM 1335 CA PHE A 588 4.421 7.515 -1.244 1.00 64.23 C ATOM 1336 C PHE A 588 4.814 6.188 -0.656 1.00 32.15 C ATOM 1337 O PHE A 588 5.990 5.875 -0.558 1.00 74.42 O ATOM 1338 CB PHE A 588 4.452 7.411 -2.768 1.00 51.51 C ATOM 1339 CG PHE A 588 4.388 8.731 -3.482 1.00 41.15 C ATOM 1340 CD1 PHE A 588 3.248 9.485 -3.443 1.00 61.44 C ATOM 1341 CD2 PHE A 588 5.475 9.204 -4.193 1.00 2.32 C ATOM 1342 CE1 PHE A 588 3.168 10.683 -4.094 1.00 21.52 C ATOM 1343 CE2 PHE A 588 5.411 10.412 -4.856 1.00 30.44 C ATOM 1344 CZ PHE A 588 4.248 11.155 -4.810 1.00 35.35 C ATOM 0 H PHE A 588 6.244 8.517 -1.256 1.00 72.33 H new ATOM 0 HA PHE A 588 3.415 7.782 -0.921 1.00 64.23 H new ATOM 0 HB2 PHE A 588 5.364 6.894 -3.066 1.00 51.51 H new ATOM 0 HB3 PHE A 588 3.615 6.794 -3.095 1.00 51.51 H new ATOM 0 HD1 PHE A 588 2.395 9.126 -2.887 1.00 61.44 H new ATOM 0 HD2 PHE A 588 6.384 8.622 -4.230 1.00 2.32 H new ATOM 0 HE1 PHE A 588 2.257 11.262 -4.048 1.00 21.52 H new ATOM 0 HE2 PHE A 588 6.266 10.775 -5.408 1.00 30.44 H new ATOM 0 HZ PHE A 588 4.185 12.099 -5.331 1.00 35.35 H new ATOM 1354 N LEU A 589 3.854 5.444 -0.232 1.00 40.21 N ATOM 1355 CA LEU A 589 4.090 4.120 0.263 1.00 21.50 C ATOM 1356 C LEU A 589 3.432 3.185 -0.738 1.00 32.35 C ATOM 1357 O LEU A 589 2.213 3.244 -0.940 1.00 25.35 O ATOM 1358 CB LEU A 589 3.441 3.959 1.661 1.00 12.13 C ATOM 1359 CG LEU A 589 3.987 2.872 2.615 1.00 73.40 C ATOM 1360 CD1 LEU A 589 3.932 1.486 2.028 1.00 52.44 C ATOM 1361 CD2 LEU A 589 5.376 3.208 3.070 1.00 41.12 C ATOM 0 H LEU A 589 2.876 5.732 -0.216 1.00 40.21 H new ATOM 0 HA LEU A 589 5.153 3.906 0.370 1.00 21.50 H new ATOM 0 HB2 LEU A 589 3.520 4.918 2.174 1.00 12.13 H new ATOM 0 HB3 LEU A 589 2.379 3.764 1.511 1.00 12.13 H new ATOM 0 HG LEU A 589 3.326 2.863 3.482 1.00 73.40 H new ATOM 0 HD11 LEU A 589 4.330 0.770 2.747 1.00 52.44 H new ATOM 0 HD12 LEU A 589 2.898 1.230 1.795 1.00 52.44 H new ATOM 0 HD13 LEU A 589 4.528 1.453 1.116 1.00 52.44 H new ATOM 0 HD21 LEU A 589 5.738 2.428 3.740 1.00 41.12 H new ATOM 0 HD22 LEU A 589 6.035 3.278 2.205 1.00 41.12 H new ATOM 0 HD23 LEU A 589 5.366 4.163 3.596 1.00 41.12 H new ATOM 1373 N GLU A 590 4.209 2.389 -1.404 1.00 43.12 N ATOM 1374 CA GLU A 590 3.658 1.455 -2.351 1.00 21.13 C ATOM 1375 C GLU A 590 4.136 0.068 -2.012 1.00 10.12 C ATOM 1376 O GLU A 590 5.328 -0.141 -1.722 1.00 61.41 O ATOM 1377 CB GLU A 590 4.026 1.822 -3.805 1.00 4.02 C ATOM 1378 CG GLU A 590 3.349 0.931 -4.848 1.00 15.12 C ATOM 1379 CD GLU A 590 3.729 1.264 -6.272 1.00 14.41 C ATOM 1380 OE1 GLU A 590 3.092 2.128 -6.875 1.00 1.33 O ATOM 1381 OE2 GLU A 590 4.663 0.626 -6.826 1.00 64.33 O ATOM 0 H GLU A 590 5.225 2.363 -1.314 1.00 43.12 H new ATOM 0 HA GLU A 590 2.571 1.495 -2.283 1.00 21.13 H new ATOM 0 HB2 GLU A 590 3.750 2.860 -3.991 1.00 4.02 H new ATOM 0 HB3 GLU A 590 5.107 1.753 -3.926 1.00 4.02 H new ATOM 0 HG2 GLU A 590 3.607 -0.109 -4.647 1.00 15.12 H new ATOM 0 HG3 GLU A 590 2.268 1.018 -4.740 1.00 15.12 H new ATOM 1388 N ILE A 591 3.221 -0.862 -2.004 1.00 43.54 N ATOM 1389 CA ILE A 591 3.544 -2.228 -1.732 1.00 71.13 C ATOM 1390 C ILE A 591 3.980 -2.906 -3.012 1.00 2.10 C ATOM 1391 O ILE A 591 3.534 -2.528 -4.119 1.00 14.42 O ATOM 1392 CB ILE A 591 2.370 -2.995 -1.060 1.00 44.03 C ATOM 1393 CG1 ILE A 591 1.069 -2.894 -1.888 1.00 15.31 C ATOM 1394 CG2 ILE A 591 2.155 -2.483 0.360 1.00 11.42 C ATOM 1395 CD1 ILE A 591 -0.103 -3.627 -1.270 1.00 13.53 C ATOM 0 H ILE A 591 2.232 -0.690 -2.186 1.00 43.54 H new ATOM 0 HA ILE A 591 4.365 -2.245 -1.016 1.00 71.13 H new ATOM 0 HB ILE A 591 2.639 -4.050 -1.017 1.00 44.03 H new ATOM 0 HG12 ILE A 591 0.806 -1.843 -2.009 1.00 15.31 H new ATOM 0 HG13 ILE A 591 1.251 -3.294 -2.885 1.00 15.31 H new ATOM 0 HG21 ILE A 591 1.331 -3.026 0.822 1.00 11.42 H new ATOM 0 HG22 ILE A 591 3.063 -2.636 0.943 1.00 11.42 H new ATOM 0 HG23 ILE A 591 1.917 -1.420 0.331 1.00 11.42 H new ATOM 0 HD11 ILE A 591 -0.981 -3.512 -1.906 1.00 13.53 H new ATOM 0 HD12 ILE A 591 0.139 -4.685 -1.174 1.00 13.53 H new ATOM 0 HD13 ILE A 591 -0.313 -3.212 -0.284 1.00 13.53 H new ATOM 1407 N GLY A 592 4.880 -3.829 -2.883 1.00 53.22 N ATOM 1408 CA GLY A 592 5.383 -4.527 -4.022 1.00 60.43 C ATOM 1409 C GLY A 592 4.631 -5.791 -4.264 1.00 71.33 C ATOM 1410 O GLY A 592 3.434 -5.873 -3.973 1.00 32.41 O ATOM 0 H GLY A 592 5.284 -4.118 -1.992 1.00 53.22 H new ATOM 0 HA2 GLY A 592 5.314 -3.887 -4.902 1.00 60.43 H new ATOM 0 HA3 GLY A 592 6.439 -4.753 -3.874 1.00 60.43 H new ATOM 1414 N GLU A 593 5.316 -6.758 -4.786 1.00 34.24 N ATOM 1415 CA GLU A 593 4.751 -8.046 -5.053 1.00 32.32 C ATOM 1416 C GLU A 593 4.610 -8.806 -3.736 1.00 4.33 C ATOM 1417 O GLU A 593 5.613 -9.060 -3.062 1.00 12.21 O ATOM 1418 CB GLU A 593 5.682 -8.819 -5.977 1.00 52.11 C ATOM 1419 CG GLU A 593 5.225 -10.221 -6.288 1.00 45.12 C ATOM 1420 CD GLU A 593 6.376 -11.104 -6.683 1.00 52.42 C ATOM 1421 OE1 GLU A 593 7.043 -11.666 -5.765 1.00 44.35 O ATOM 1422 OE2 GLU A 593 6.645 -11.283 -7.879 1.00 71.30 O ATOM 0 H GLU A 593 6.300 -6.676 -5.044 1.00 34.24 H new ATOM 0 HA GLU A 593 3.775 -7.933 -5.525 1.00 32.32 H new ATOM 0 HB2 GLU A 593 5.787 -8.268 -6.912 1.00 52.11 H new ATOM 0 HB3 GLU A 593 6.671 -8.865 -5.521 1.00 52.11 H new ATOM 0 HG2 GLU A 593 4.725 -10.643 -5.416 1.00 45.12 H new ATOM 0 HG3 GLU A 593 4.492 -10.195 -7.095 1.00 45.12 H new ATOM 1429 N PRO A 594 3.398 -9.145 -3.321 1.00 2.43 N ATOM 1430 CA PRO A 594 3.202 -9.927 -2.136 1.00 61.11 C ATOM 1431 C PRO A 594 3.621 -11.376 -2.407 1.00 53.03 C ATOM 1432 O PRO A 594 3.288 -11.961 -3.450 1.00 24.52 O ATOM 1433 CB PRO A 594 1.709 -9.783 -1.852 1.00 54.42 C ATOM 1434 CG PRO A 594 1.096 -9.512 -3.169 1.00 42.34 C ATOM 1435 CD PRO A 594 2.132 -8.801 -3.981 1.00 23.40 C ATOM 0 HA PRO A 594 3.796 -9.607 -1.280 1.00 61.11 H new ATOM 0 HB2 PRO A 594 1.302 -10.691 -1.406 1.00 54.42 H new ATOM 0 HB3 PRO A 594 1.517 -8.970 -1.152 1.00 54.42 H new ATOM 0 HG2 PRO A 594 0.792 -10.440 -3.654 1.00 42.34 H new ATOM 0 HG3 PRO A 594 0.200 -8.900 -3.062 1.00 42.34 H new ATOM 0 HD2 PRO A 594 2.121 -9.131 -5.020 1.00 23.40 H new ATOM 0 HD3 PRO A 594 1.965 -7.724 -3.987 1.00 23.40 H new ATOM 1443 N ARG A 595 4.353 -11.941 -1.506 1.00 53.13 N ATOM 1444 CA ARG A 595 4.932 -13.226 -1.730 1.00 33.32 C ATOM 1445 C ARG A 595 4.255 -14.273 -0.901 1.00 4.13 C ATOM 1446 O ARG A 595 4.161 -14.152 0.329 1.00 72.20 O ATOM 1447 CB ARG A 595 6.456 -13.191 -1.500 1.00 60.24 C ATOM 1448 CG ARG A 595 6.880 -12.783 -0.101 1.00 30.12 C ATOM 1449 CD ARG A 595 8.347 -12.412 -0.034 1.00 60.32 C ATOM 1450 NE ARG A 595 9.241 -13.492 -0.444 1.00 71.14 N ATOM 1451 CZ ARG A 595 10.535 -13.324 -0.735 1.00 33.12 C ATOM 1452 NH1 ARG A 595 11.051 -12.099 -0.792 1.00 73.02 N ATOM 1453 NH2 ARG A 595 11.298 -14.371 -1.027 1.00 11.22 N ATOM 0 H ARG A 595 4.567 -11.529 -0.598 1.00 53.13 H new ATOM 0 HA ARG A 595 4.773 -13.498 -2.774 1.00 33.32 H new ATOM 0 HB2 ARG A 595 6.864 -14.179 -1.715 1.00 60.24 H new ATOM 0 HB3 ARG A 595 6.901 -12.500 -2.215 1.00 60.24 H new ATOM 0 HG2 ARG A 595 6.277 -11.936 0.227 1.00 30.12 H new ATOM 0 HG3 ARG A 595 6.682 -13.602 0.590 1.00 30.12 H new ATOM 0 HD2 ARG A 595 8.523 -11.544 -0.669 1.00 60.32 H new ATOM 0 HD3 ARG A 595 8.592 -12.115 0.986 1.00 60.32 H new ATOM 0 HE ARG A 595 8.854 -14.433 -0.513 1.00 71.14 H new ATOM 0 HH11 ARG A 595 10.459 -11.288 -0.614 1.00 73.02 H new ATOM 0 HH12 ARG A 595 12.038 -11.971 -1.014 1.00 73.02 H new ATOM 0 HH21 ARG A 595 10.897 -15.309 -1.030 1.00 11.22 H new ATOM 0 HH22 ARG A 595 12.285 -14.237 -1.248 1.00 11.22 H new ATOM 1467 N LEU A 596 3.716 -15.254 -1.569 1.00 22.31 N ATOM 1468 CA LEU A 596 3.114 -16.352 -0.912 1.00 71.03 C ATOM 1469 C LEU A 596 4.252 -17.214 -0.427 1.00 24.43 C ATOM 1470 O LEU A 596 5.052 -17.719 -1.239 1.00 55.14 O ATOM 1471 CB LEU A 596 2.280 -17.169 -1.895 1.00 31.22 C ATOM 1472 CG LEU A 596 1.002 -17.829 -1.354 1.00 32.53 C ATOM 1473 CD1 LEU A 596 1.134 -18.290 0.095 1.00 33.00 C ATOM 1474 CD2 LEU A 596 -0.182 -16.921 -1.547 1.00 14.34 C ATOM 0 H LEU A 596 3.688 -15.304 -2.587 1.00 22.31 H new ATOM 0 HA LEU A 596 2.464 -16.013 -0.105 1.00 71.03 H new ATOM 0 HB2 LEU A 596 1.999 -16.517 -2.722 1.00 31.22 H new ATOM 0 HB3 LEU A 596 2.916 -17.952 -2.308 1.00 31.22 H new ATOM 0 HG LEU A 596 0.839 -18.736 -1.936 1.00 32.53 H new ATOM 0 HD11 LEU A 596 0.199 -18.747 0.418 1.00 33.00 H new ATOM 0 HD12 LEU A 596 1.940 -19.019 0.173 1.00 33.00 H new ATOM 0 HD13 LEU A 596 1.357 -17.433 0.731 1.00 33.00 H new ATOM 0 HD21 LEU A 596 -1.078 -17.404 -1.158 1.00 14.34 H new ATOM 0 HD22 LEU A 596 -0.014 -15.985 -1.014 1.00 14.34 H new ATOM 0 HD23 LEU A 596 -0.313 -16.715 -2.609 1.00 14.34 H new ATOM 1486 N VAL A 597 4.352 -17.390 0.847 1.00 32.43 N ATOM 1487 CA VAL A 597 5.426 -18.161 1.398 1.00 22.22 C ATOM 1488 C VAL A 597 5.071 -19.632 1.343 1.00 73.04 C ATOM 1489 O VAL A 597 4.619 -20.226 2.315 1.00 53.52 O ATOM 1490 CB VAL A 597 5.761 -17.774 2.837 1.00 34.31 C ATOM 1491 CG1 VAL A 597 7.038 -18.468 3.330 1.00 24.45 C ATOM 1492 CG2 VAL A 597 5.838 -16.267 3.021 1.00 64.42 C ATOM 0 H VAL A 597 3.701 -17.010 1.534 1.00 32.43 H new ATOM 0 HA VAL A 597 6.310 -17.953 0.796 1.00 22.22 H new ATOM 0 HB VAL A 597 4.938 -18.129 3.457 1.00 34.31 H new ATOM 0 HG11 VAL A 597 7.242 -18.167 4.357 1.00 24.45 H new ATOM 0 HG12 VAL A 597 6.904 -19.549 3.289 1.00 24.45 H new ATOM 0 HG13 VAL A 597 7.876 -18.182 2.695 1.00 24.45 H new ATOM 0 HG21 VAL A 597 6.079 -16.039 4.059 1.00 64.42 H new ATOM 0 HG22 VAL A 597 6.613 -15.860 2.371 1.00 64.42 H new ATOM 0 HG23 VAL A 597 4.878 -15.820 2.764 1.00 64.42 H new ATOM 2055 N ARG A 633 0.169 -16.114 -7.102 1.00 72.13 N ATOM 2056 CA ARG A 633 0.615 -14.981 -6.343 1.00 1.23 C ATOM 2057 C ARG A 633 -0.596 -14.263 -5.772 1.00 73.01 C ATOM 2058 O ARG A 633 -1.682 -14.305 -6.354 1.00 32.11 O ATOM 2059 CB ARG A 633 1.346 -13.969 -7.257 1.00 0.32 C ATOM 2060 CG ARG A 633 2.790 -14.269 -7.684 1.00 52.34 C ATOM 2061 CD ARG A 633 3.003 -15.659 -8.248 1.00 52.33 C ATOM 2062 NE ARG A 633 4.185 -15.693 -9.096 1.00 32.14 N ATOM 2063 CZ ARG A 633 5.181 -16.569 -9.046 1.00 53.14 C ATOM 2064 NH1 ARG A 633 5.161 -17.585 -8.179 1.00 34.11 N ATOM 2065 NH2 ARG A 633 6.202 -16.426 -9.883 1.00 32.41 N ATOM 0 HA ARG A 633 1.284 -15.336 -5.559 1.00 1.23 H new ATOM 0 HB2 ARG A 633 0.751 -13.852 -8.163 1.00 0.32 H new ATOM 0 HB3 ARG A 633 1.345 -13.005 -6.749 1.00 0.32 H new ATOM 0 HG2 ARG A 633 3.094 -13.537 -8.432 1.00 52.34 H new ATOM 0 HG3 ARG A 633 3.445 -14.136 -6.823 1.00 52.34 H new ATOM 0 HD2 ARG A 633 3.113 -16.375 -7.433 1.00 52.33 H new ATOM 0 HD3 ARG A 633 2.128 -15.962 -8.823 1.00 52.33 H new ATOM 0 HE ARG A 633 4.256 -14.964 -9.806 1.00 32.14 H new ATOM 0 HH11 ARG A 633 4.372 -17.697 -7.542 1.00 34.11 H new ATOM 0 HH12 ARG A 633 5.935 -18.249 -8.154 1.00 34.11 H new ATOM 0 HH21 ARG A 633 6.211 -15.653 -10.549 1.00 32.41 H new ATOM 0 HH22 ARG A 633 6.977 -17.089 -9.860 1.00 32.41 H new ATOM 2079 N PRO A 634 -0.454 -13.663 -4.616 1.00 72.02 N ATOM 2080 CA PRO A 634 -1.435 -12.727 -4.131 1.00 1.11 C ATOM 2081 C PRO A 634 -1.245 -11.434 -4.914 1.00 33.11 C ATOM 2082 O PRO A 634 -0.143 -11.179 -5.414 1.00 33.01 O ATOM 2083 CB PRO A 634 -1.079 -12.516 -2.667 1.00 12.00 C ATOM 2084 CG PRO A 634 0.219 -13.215 -2.431 1.00 42.13 C ATOM 2085 CD PRO A 634 0.653 -13.862 -3.698 1.00 3.41 C ATOM 0 HA PRO A 634 -2.466 -13.062 -4.242 1.00 1.11 H new ATOM 0 HB2 PRO A 634 -0.992 -11.453 -2.440 1.00 12.00 H new ATOM 0 HB3 PRO A 634 -1.857 -12.918 -2.019 1.00 12.00 H new ATOM 0 HG2 PRO A 634 0.974 -12.505 -2.092 1.00 42.13 H new ATOM 0 HG3 PRO A 634 0.108 -13.962 -1.645 1.00 42.13 H new ATOM 0 HD2 PRO A 634 1.569 -13.410 -4.079 1.00 3.41 H new ATOM 0 HD3 PRO A 634 0.858 -14.922 -3.550 1.00 3.41 H new ATOM 2093 N ILE A 635 -2.254 -10.626 -5.052 1.00 0.51 N ATOM 2094 CA ILE A 635 -2.097 -9.448 -5.882 1.00 72.33 C ATOM 2095 C ILE A 635 -2.667 -8.180 -5.267 1.00 15.51 C ATOM 2096 O ILE A 635 -3.298 -8.212 -4.200 1.00 65.34 O ATOM 2097 CB ILE A 635 -2.580 -9.663 -7.373 1.00 31.21 C ATOM 2098 CG1 ILE A 635 -3.990 -10.287 -7.480 1.00 0.01 C ATOM 2099 CG2 ILE A 635 -1.576 -10.488 -8.170 1.00 53.35 C ATOM 2100 CD1 ILE A 635 -5.124 -9.374 -7.104 1.00 72.04 C ATOM 0 H ILE A 635 -3.170 -10.745 -4.620 1.00 0.51 H new ATOM 0 HA ILE A 635 -1.019 -9.292 -5.929 1.00 72.33 H new ATOM 0 HB ILE A 635 -2.644 -8.665 -7.806 1.00 31.21 H new ATOM 0 HG12 ILE A 635 -4.143 -10.627 -8.504 1.00 0.01 H new ATOM 0 HG13 ILE A 635 -4.029 -11.170 -6.842 1.00 0.01 H new ATOM 0 HG21 ILE A 635 -1.939 -10.617 -9.190 1.00 53.35 H new ATOM 0 HG22 ILE A 635 -0.615 -9.973 -8.189 1.00 53.35 H new ATOM 0 HG23 ILE A 635 -1.455 -11.465 -7.702 1.00 53.35 H new ATOM 0 HD11 ILE A 635 -6.070 -9.905 -7.212 1.00 72.04 H new ATOM 0 HD12 ILE A 635 -5.005 -9.053 -6.069 1.00 72.04 H new ATOM 0 HD13 ILE A 635 -5.121 -8.502 -7.757 1.00 72.04 H new ATOM 2112 N LEU A 636 -2.421 -7.075 -5.942 1.00 22.34 N ATOM 2113 CA LEU A 636 -2.866 -5.771 -5.505 1.00 73.34 C ATOM 2114 C LEU A 636 -4.362 -5.609 -5.765 1.00 24.41 C ATOM 2115 O LEU A 636 -4.903 -6.156 -6.733 1.00 35.03 O ATOM 2116 CB LEU A 636 -2.002 -4.621 -6.154 1.00 62.43 C ATOM 2117 CG LEU A 636 -2.155 -4.261 -7.672 1.00 41.24 C ATOM 2118 CD1 LEU A 636 -2.234 -5.471 -8.572 1.00 11.15 C ATOM 2119 CD2 LEU A 636 -3.300 -3.294 -7.926 1.00 42.23 C ATOM 0 H LEU A 636 -1.900 -7.059 -6.819 1.00 22.34 H new ATOM 0 HA LEU A 636 -2.715 -5.689 -4.429 1.00 73.34 H new ATOM 0 HB2 LEU A 636 -2.202 -3.712 -5.588 1.00 62.43 H new ATOM 0 HB3 LEU A 636 -0.955 -4.875 -5.989 1.00 62.43 H new ATOM 0 HG LEU A 636 -1.232 -3.746 -7.940 1.00 41.24 H new ATOM 0 HD11 LEU A 636 -2.339 -5.148 -9.608 1.00 11.15 H new ATOM 0 HD12 LEU A 636 -1.325 -6.063 -8.467 1.00 11.15 H new ATOM 0 HD13 LEU A 636 -3.096 -6.077 -8.292 1.00 11.15 H new ATOM 0 HD21 LEU A 636 -3.363 -3.077 -8.992 1.00 42.23 H new ATOM 0 HD22 LEU A 636 -4.236 -3.742 -7.591 1.00 42.23 H new ATOM 0 HD23 LEU A 636 -3.123 -2.369 -7.377 1.00 42.23 H new ATOM 2131 N GLY A 637 -5.001 -4.886 -4.910 1.00 44.54 N ATOM 2132 CA GLY A 637 -6.423 -4.709 -4.992 1.00 75.12 C ATOM 2133 C GLY A 637 -6.837 -3.481 -5.740 1.00 63.04 C ATOM 2134 O GLY A 637 -6.337 -3.211 -6.825 1.00 71.31 O ATOM 0 H GLY A 637 -4.558 -4.398 -4.131 1.00 44.54 H new ATOM 0 HA2 GLY A 637 -6.861 -5.582 -5.475 1.00 75.12 H new ATOM 0 HA3 GLY A 637 -6.833 -4.664 -3.983 1.00 75.12 H new ATOM 2138 N GLU A 638 -7.739 -2.734 -5.160 1.00 61.30 N ATOM 2139 CA GLU A 638 -8.307 -1.574 -5.803 1.00 21.13 C ATOM 2140 C GLU A 638 -7.298 -0.447 -5.935 1.00 33.41 C ATOM 2141 O GLU A 638 -7.025 0.025 -7.043 1.00 1.12 O ATOM 2142 CB GLU A 638 -9.557 -1.121 -5.057 1.00 14.05 C ATOM 2143 CG GLU A 638 -10.313 0.020 -5.716 1.00 34.31 C ATOM 2144 CD GLU A 638 -11.606 0.352 -5.010 1.00 43.25 C ATOM 2145 OE1 GLU A 638 -11.587 1.109 -4.023 1.00 31.13 O ATOM 2146 OE2 GLU A 638 -12.675 -0.139 -5.440 1.00 44.55 O ATOM 0 H GLU A 638 -8.103 -2.912 -4.224 1.00 61.30 H new ATOM 0 HA GLU A 638 -8.592 -1.855 -6.817 1.00 21.13 H new ATOM 0 HB2 GLU A 638 -10.230 -1.972 -4.953 1.00 14.05 H new ATOM 0 HB3 GLU A 638 -9.272 -0.816 -4.050 1.00 14.05 H new ATOM 0 HG2 GLU A 638 -9.678 0.906 -5.737 1.00 34.31 H new ATOM 0 HG3 GLU A 638 -10.527 -0.243 -6.752 1.00 34.31 H new ATOM 2153 N HIS A 639 -6.739 -0.034 -4.835 1.00 53.25 N ATOM 2154 CA HIS A 639 -5.793 1.057 -4.857 1.00 42.32 C ATOM 2155 C HIS A 639 -4.592 0.791 -3.981 1.00 14.54 C ATOM 2156 O HIS A 639 -4.695 0.653 -2.747 1.00 22.51 O ATOM 2157 CB HIS A 639 -6.454 2.429 -4.538 1.00 14.24 C ATOM 2158 CG HIS A 639 -7.242 2.499 -3.254 1.00 44.14 C ATOM 2159 ND1 HIS A 639 -6.741 2.958 -2.057 1.00 15.42 N ATOM 2160 CD2 HIS A 639 -8.534 2.186 -3.014 1.00 33.44 C ATOM 2161 CE1 HIS A 639 -7.724 2.913 -1.157 1.00 72.15 C ATOM 2162 NE2 HIS A 639 -8.833 2.453 -1.683 1.00 31.14 N ATOM 0 H HIS A 639 -6.917 -0.430 -3.912 1.00 53.25 H new ATOM 0 HA HIS A 639 -5.428 1.121 -5.882 1.00 42.32 H new ATOM 0 HB2 HIS A 639 -5.672 3.188 -4.503 1.00 14.24 H new ATOM 0 HB3 HIS A 639 -7.116 2.692 -5.363 1.00 14.24 H new ATOM 0 HD2 HIS A 639 -9.226 1.790 -3.742 1.00 33.44 H new ATOM 0 HE1 HIS A 639 -7.620 3.217 -0.126 1.00 72.15 H new ATOM 0 HE2 HIS A 639 -9.729 2.319 -1.214 1.00 31.14 H new ATOM 2170 N THR A 640 -3.464 0.676 -4.610 1.00 32.20 N ATOM 2171 CA THR A 640 -2.245 0.480 -3.917 1.00 42.24 C ATOM 2172 C THR A 640 -1.285 1.609 -4.203 1.00 74.03 C ATOM 2173 O THR A 640 -0.573 1.598 -5.209 1.00 32.04 O ATOM 2174 CB THR A 640 -1.608 -0.872 -4.266 1.00 50.33 C ATOM 2175 OG1 THR A 640 -1.618 -1.049 -5.689 1.00 22.20 O ATOM 2176 CG2 THR A 640 -2.357 -2.004 -3.603 1.00 53.45 C ATOM 0 H THR A 640 -3.371 0.717 -5.625 1.00 32.20 H new ATOM 0 HA THR A 640 -2.469 0.473 -2.850 1.00 42.24 H new ATOM 0 HB THR A 640 -0.581 -0.881 -3.901 1.00 50.33 H new ATOM 0 HG1 THR A 640 -1.275 -0.239 -6.122 1.00 22.20 H new ATOM 0 HG21 THR A 640 -1.888 -2.953 -3.864 1.00 53.45 H new ATOM 0 HG22 THR A 640 -2.332 -1.873 -2.521 1.00 53.45 H new ATOM 0 HG23 THR A 640 -3.392 -2.005 -3.945 1.00 53.45 H new ATOM 2184 N LYS A 641 -1.343 2.599 -3.358 1.00 63.04 N ATOM 2185 CA LYS A 641 -0.480 3.748 -3.383 1.00 23.35 C ATOM 2186 C LYS A 641 -0.920 4.552 -2.218 1.00 34.11 C ATOM 2187 O LYS A 641 -2.108 4.798 -2.067 1.00 22.32 O ATOM 2188 CB LYS A 641 -0.681 4.594 -4.661 1.00 63.11 C ATOM 2189 CG LYS A 641 0.564 5.370 -5.156 1.00 21.20 C ATOM 2190 CD LYS A 641 1.101 6.427 -4.210 1.00 74.00 C ATOM 2191 CE LYS A 641 0.236 7.680 -4.103 1.00 3.05 C ATOM 2192 NZ LYS A 641 0.013 8.379 -5.394 1.00 31.34 N ATOM 0 H LYS A 641 -2.023 2.629 -2.599 1.00 63.04 H new ATOM 0 HA LYS A 641 0.569 3.452 -3.359 1.00 23.35 H new ATOM 0 HB2 LYS A 641 -1.017 3.935 -5.461 1.00 63.11 H new ATOM 0 HB3 LYS A 641 -1.483 5.309 -4.479 1.00 63.11 H new ATOM 0 HG2 LYS A 641 1.359 4.653 -5.359 1.00 21.20 H new ATOM 0 HG3 LYS A 641 0.318 5.849 -6.104 1.00 21.20 H new ATOM 0 HD2 LYS A 641 1.207 5.988 -3.218 1.00 74.00 H new ATOM 0 HD3 LYS A 641 2.099 6.717 -4.538 1.00 74.00 H new ATOM 0 HE2 LYS A 641 -0.730 7.406 -3.680 1.00 3.05 H new ATOM 0 HE3 LYS A 641 0.705 8.373 -3.404 1.00 3.05 H new ATOM 0 HZ1 LYS A 641 -0.074 9.401 -5.225 1.00 31.34 H new ATOM 0 HZ2 LYS A 641 0.817 8.200 -6.029 1.00 31.34 H new ATOM 0 HZ3 LYS A 641 -0.860 8.025 -5.834 1.00 31.34 H new ATOM 2206 N LEU A 642 -0.036 4.882 -1.379 1.00 10.35 N ATOM 2207 CA LEU A 642 -0.363 5.698 -0.269 1.00 61.34 C ATOM 2208 C LEU A 642 0.373 6.984 -0.391 1.00 1.10 C ATOM 2209 O LEU A 642 1.591 7.007 -0.350 1.00 51.01 O ATOM 2210 CB LEU A 642 0.025 5.025 1.009 1.00 41.24 C ATOM 2211 CG LEU A 642 -0.222 5.829 2.262 1.00 73.35 C ATOM 2212 CD1 LEU A 642 -1.708 5.996 2.524 1.00 72.31 C ATOM 2213 CD2 LEU A 642 0.490 5.209 3.430 1.00 64.43 C ATOM 0 H LEU A 642 0.943 4.600 -1.431 1.00 10.35 H new ATOM 0 HA LEU A 642 -1.439 5.874 -0.256 1.00 61.34 H new ATOM 0 HB2 LEU A 642 -0.522 4.085 1.086 1.00 41.24 H new ATOM 0 HB3 LEU A 642 1.085 4.774 0.961 1.00 41.24 H new ATOM 0 HG LEU A 642 0.186 6.829 2.118 1.00 73.35 H new ATOM 0 HD11 LEU A 642 -1.854 6.579 3.433 1.00 72.31 H new ATOM 0 HD12 LEU A 642 -2.170 6.513 1.683 1.00 72.31 H new ATOM 0 HD13 LEU A 642 -2.169 5.015 2.644 1.00 72.31 H new ATOM 0 HD21 LEU A 642 0.302 5.800 4.326 1.00 64.43 H new ATOM 0 HD22 LEU A 642 0.124 4.194 3.582 1.00 64.43 H new ATOM 0 HD23 LEU A 642 1.561 5.183 3.231 1.00 64.43 H new ATOM 2225 N GLU A 643 -0.340 8.019 -0.594 1.00 43.03 N ATOM 2226 CA GLU A 643 0.233 9.301 -0.687 1.00 62.11 C ATOM 2227 C GLU A 643 0.091 9.946 0.651 1.00 15.24 C ATOM 2228 O GLU A 643 -1.009 10.326 1.065 1.00 22.34 O ATOM 2229 CB GLU A 643 -0.479 10.087 -1.755 1.00 20.22 C ATOM 2230 CG GLU A 643 0.248 11.311 -2.216 1.00 42.13 C ATOM 2231 CD GLU A 643 -0.295 11.787 -3.520 1.00 51.22 C ATOM 2232 OE1 GLU A 643 -0.156 11.055 -4.530 1.00 44.32 O ATOM 2233 OE2 GLU A 643 -0.859 12.892 -3.586 1.00 12.41 O ATOM 0 H GLU A 643 -1.354 8.001 -0.702 1.00 43.03 H new ATOM 0 HA GLU A 643 1.287 9.254 -0.961 1.00 62.11 H new ATOM 0 HB2 GLU A 643 -0.650 9.437 -2.613 1.00 20.22 H new ATOM 0 HB3 GLU A 643 -1.458 10.382 -1.379 1.00 20.22 H new ATOM 0 HG2 GLU A 643 0.155 12.099 -1.468 1.00 42.13 H new ATOM 0 HG3 GLU A 643 1.311 11.092 -2.317 1.00 42.13 H new ATOM 2240 N VAL A 644 1.156 9.985 1.366 1.00 63.20 N ATOM 2241 CA VAL A 644 1.137 10.544 2.667 1.00 55.23 C ATOM 2242 C VAL A 644 1.493 11.982 2.558 1.00 24.42 C ATOM 2243 O VAL A 644 2.627 12.296 2.261 1.00 55.53 O ATOM 2244 CB VAL A 644 2.176 9.881 3.580 1.00 31.10 C ATOM 2245 CG1 VAL A 644 2.018 10.351 5.012 1.00 42.45 C ATOM 2246 CG2 VAL A 644 2.118 8.373 3.471 1.00 41.50 C ATOM 0 H VAL A 644 2.064 9.631 1.066 1.00 63.20 H new ATOM 0 HA VAL A 644 0.144 10.393 3.091 1.00 55.23 H new ATOM 0 HB VAL A 644 3.167 10.188 3.245 1.00 31.10 H new ATOM 0 HG11 VAL A 644 2.766 9.866 5.639 1.00 42.45 H new ATOM 0 HG12 VAL A 644 2.152 11.432 5.057 1.00 42.45 H new ATOM 0 HG13 VAL A 644 1.022 10.094 5.372 1.00 42.45 H new ATOM 0 HG21 VAL A 644 2.866 7.932 4.130 1.00 41.50 H new ATOM 0 HG22 VAL A 644 1.127 8.025 3.763 1.00 41.50 H new ATOM 0 HG23 VAL A 644 2.319 8.075 2.442 1.00 41.50 H new ATOM 2256 N ILE A 645 0.551 12.839 2.716 1.00 2.21 N ATOM 2257 CA ILE A 645 0.839 14.225 2.756 1.00 72.33 C ATOM 2258 C ILE A 645 1.075 14.586 4.204 1.00 25.14 C ATOM 2259 O ILE A 645 0.189 14.426 5.056 1.00 52.44 O ATOM 2260 CB ILE A 645 -0.267 15.121 2.110 1.00 62.44 C ATOM 2261 CG1 ILE A 645 -0.374 14.877 0.587 1.00 71.40 C ATOM 2262 CG2 ILE A 645 -0.012 16.590 2.382 1.00 30.10 C ATOM 2263 CD1 ILE A 645 -1.179 13.665 0.184 1.00 74.41 C ATOM 0 H ILE A 645 -0.435 12.601 2.821 1.00 2.21 H new ATOM 0 HA ILE A 645 1.724 14.420 2.150 1.00 72.33 H new ATOM 0 HB ILE A 645 -1.214 14.841 2.571 1.00 62.44 H new ATOM 0 HG12 ILE A 645 -0.818 15.758 0.125 1.00 71.40 H new ATOM 0 HG13 ILE A 645 0.632 14.777 0.180 1.00 71.40 H new ATOM 0 HG21 ILE A 645 -0.798 17.187 1.920 1.00 30.10 H new ATOM 0 HG22 ILE A 645 -0.008 16.765 3.458 1.00 30.10 H new ATOM 0 HG23 ILE A 645 0.953 16.875 1.964 1.00 30.10 H new ATOM 0 HD11 ILE A 645 -1.193 13.583 -0.903 1.00 74.41 H new ATOM 0 HD12 ILE A 645 -0.726 12.770 0.610 1.00 74.41 H new ATOM 0 HD13 ILE A 645 -2.199 13.767 0.554 1.00 74.41 H new ATOM 2275 N ILE A 646 2.270 14.995 4.493 1.00 20.40 N ATOM 2276 CA ILE A 646 2.657 15.275 5.837 1.00 44.54 C ATOM 2277 C ILE A 646 2.634 16.748 6.013 1.00 71.13 C ATOM 2278 O ILE A 646 3.433 17.468 5.402 1.00 43.11 O ATOM 2279 CB ILE A 646 4.090 14.755 6.207 1.00 63.21 C ATOM 2280 CG1 ILE A 646 4.303 13.291 5.857 1.00 12.34 C ATOM 2281 CG2 ILE A 646 4.362 14.944 7.671 1.00 65.45 C ATOM 2282 CD1 ILE A 646 4.540 13.044 4.402 1.00 74.54 C ATOM 0 H ILE A 646 3.005 15.144 3.802 1.00 20.40 H new ATOM 0 HA ILE A 646 1.958 14.756 6.493 1.00 44.54 H new ATOM 0 HB ILE A 646 4.784 15.347 5.610 1.00 63.21 H new ATOM 0 HG12 ILE A 646 5.154 12.912 6.423 1.00 12.34 H new ATOM 0 HG13 ILE A 646 3.430 12.721 6.175 1.00 12.34 H new ATOM 0 HG21 ILE A 646 5.361 14.577 7.906 1.00 65.45 H new ATOM 0 HG22 ILE A 646 4.297 16.003 7.919 1.00 65.45 H new ATOM 0 HG23 ILE A 646 3.626 14.389 8.252 1.00 65.45 H new ATOM 0 HD11 ILE A 646 4.683 11.977 4.233 1.00 74.54 H new ATOM 0 HD12 ILE A 646 3.680 13.390 3.829 1.00 74.54 H new ATOM 0 HD13 ILE A 646 5.431 13.585 4.081 1.00 74.54 H new ATOM 2294 N GLU A 647 1.731 17.196 6.793 1.00 53.04 N ATOM 2295 CA GLU A 647 1.598 18.577 7.032 1.00 73.31 C ATOM 2296 C GLU A 647 1.985 18.918 8.454 1.00 13.23 C ATOM 2297 O GLU A 647 1.713 18.144 9.402 1.00 35.43 O ATOM 2298 CB GLU A 647 0.200 19.081 6.614 1.00 41.03 C ATOM 2299 CG GLU A 647 -0.972 18.194 7.039 1.00 2.14 C ATOM 2300 CD GLU A 647 -2.289 18.685 6.475 1.00 13.30 C ATOM 2301 OE1 GLU A 647 -2.672 18.275 5.345 1.00 34.51 O ATOM 2302 OE2 GLU A 647 -2.964 19.515 7.125 1.00 21.11 O ATOM 0 H GLU A 647 1.058 16.611 7.288 1.00 53.04 H new ATOM 0 HA GLU A 647 2.301 19.120 6.400 1.00 73.31 H new ATOM 0 HB2 GLU A 647 0.051 20.076 7.033 1.00 41.03 H new ATOM 0 HB3 GLU A 647 0.180 19.186 5.529 1.00 41.03 H new ATOM 0 HG2 GLU A 647 -0.793 17.172 6.705 1.00 2.14 H new ATOM 0 HG3 GLU A 647 -1.031 18.168 8.127 1.00 2.14 H new ATOM 2309 N GLU A 648 2.707 20.020 8.586 1.00 11.41 N ATOM 2310 CA GLU A 648 3.155 20.548 9.864 1.00 12.22 C ATOM 2311 C GLU A 648 2.004 20.611 10.856 1.00 2.32 C ATOM 2312 O GLU A 648 0.895 21.043 10.513 1.00 15.44 O ATOM 2313 CB GLU A 648 3.767 21.939 9.680 1.00 64.02 C ATOM 2314 CG GLU A 648 5.197 21.972 9.124 1.00 14.53 C ATOM 2315 CD GLU A 648 5.406 21.254 7.808 1.00 43.41 C ATOM 2316 OE1 GLU A 648 4.626 21.484 6.874 1.00 34.13 O ATOM 2317 OE2 GLU A 648 6.387 20.417 7.715 1.00 74.01 O ATOM 0 H GLU A 648 3.004 20.584 7.790 1.00 11.41 H new ATOM 0 HA GLU A 648 3.916 19.877 10.261 1.00 12.22 H new ATOM 0 HB2 GLU A 648 3.124 22.512 9.012 1.00 64.02 H new ATOM 0 HB3 GLU A 648 3.760 22.448 10.644 1.00 64.02 H new ATOM 0 HG2 GLU A 648 5.495 23.013 9.000 1.00 14.53 H new ATOM 0 HG3 GLU A 648 5.866 21.535 9.866 1.00 14.53 H new ATOM 2324 N SER A 649 2.253 20.200 12.071 1.00 30.43 N ATOM 2325 CA SER A 649 1.202 20.134 13.032 1.00 42.33 C ATOM 2326 C SER A 649 1.044 21.477 13.721 1.00 13.05 C ATOM 2327 O SER A 649 1.652 21.760 14.757 1.00 61.34 O ATOM 2328 CB SER A 649 1.403 18.981 14.030 1.00 14.42 C ATOM 2329 OG SER A 649 0.221 18.707 14.788 1.00 0.13 O ATOM 0 H SER A 649 3.170 19.909 12.410 1.00 30.43 H new ATOM 0 HA SER A 649 0.271 19.913 12.510 1.00 42.33 H new ATOM 0 HB2 SER A 649 1.701 18.083 13.489 1.00 14.42 H new ATOM 0 HB3 SER A 649 2.218 19.229 14.709 1.00 14.42 H new ATOM 0 HG SER A 649 0.394 17.967 15.407 1.00 0.13 H new