USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 588 SER OG : rot 120:sc= 0.641 USER MOD Set 1.2: A 640 LYS NZ :NH3+ -157:sc= 0.917 (180deg=0.196) USER MOD Set 2.1: A 539 TYR OH : rot 180:sc= 0.656 USER MOD Set 2.2: A 556 THR OG1 : rot -111:sc= 0.977 USER MOD Set 3.1: A 506 THR OG1 : rot 25:sc= 0.0463 USER MOD Set 3.2: A 639 THR OG1 : rot -83:sc= 1.25 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= -0.095 X(o=-0.095,f=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc=-0.00241 USER MOD Single : A 521 MET CE :methyl 160:sc= -0.414 (180deg=-1.71) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.28 K(o=-2.3,f=-0.39) USER MOD Single : A 540 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.14) USER MOD Single : A 541 THR OG1 : rot 34:sc= -0.223 USER MOD Single : A 545 THR OG1 : rot 180:sc= -1.02! USER MOD Single : A 557 CYS SG : rot 180:sc= 0 USER MOD Single : A 563 GLN : amide:sc= -0.756 K(o=-0.76,f=-0.15) USER MOD Single : A 564 ASN : amide:sc= -1.01 K(o=-1,f=-6.1!) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 THR OG1 : rot 43:sc= 0.0694 USER MOD Single : A 585 CYS SG : rot 158:sc= 1.17 USER MOD Single : A 586 SER OG : rot 160:sc= -0.335 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 3.566 -2.667 -4.649 1.00 71.12 N ATOM 29 CA GLY A 503 3.651 -3.293 -5.916 1.00 54.34 C ATOM 30 C GLY A 503 2.586 -4.316 -6.079 1.00 22.11 C ATOM 31 O GLY A 503 2.390 -5.138 -5.196 1.00 64.33 O ATOM 0 HA2 GLY A 503 3.563 -2.543 -6.702 1.00 54.34 H new ATOM 0 HA3 GLY A 503 4.629 -3.760 -6.029 1.00 54.34 H new ATOM 35 N ILE A 504 1.844 -4.204 -7.146 1.00 11.43 N ATOM 36 CA ILE A 504 0.865 -5.194 -7.537 1.00 2.31 C ATOM 37 C ILE A 504 1.160 -5.539 -8.968 1.00 34.52 C ATOM 38 O ILE A 504 1.102 -4.663 -9.837 1.00 1.43 O ATOM 39 CB ILE A 504 -0.606 -4.704 -7.399 1.00 35.33 C ATOM 40 CG1 ILE A 504 -0.949 -4.418 -5.928 1.00 23.21 C ATOM 41 CG2 ILE A 504 -1.586 -5.733 -7.995 1.00 51.03 C ATOM 42 CD1 ILE A 504 -2.367 -3.934 -5.710 1.00 11.24 C ATOM 0 H ILE A 504 1.900 -3.409 -7.783 1.00 11.43 H new ATOM 0 HA ILE A 504 0.945 -6.054 -6.873 1.00 2.31 H new ATOM 0 HB ILE A 504 -0.706 -3.775 -7.960 1.00 35.33 H new ATOM 0 HG12 ILE A 504 -0.792 -5.326 -5.346 1.00 23.21 H new ATOM 0 HG13 ILE A 504 -0.257 -3.669 -5.543 1.00 23.21 H new ATOM 0 HG21 ILE A 504 -2.607 -5.368 -7.887 1.00 51.03 H new ATOM 0 HG22 ILE A 504 -1.363 -5.878 -9.052 1.00 51.03 H new ATOM 0 HG23 ILE A 504 -1.482 -6.682 -7.469 1.00 51.03 H new ATOM 0 HD11 ILE A 504 -2.531 -3.755 -4.647 1.00 11.24 H new ATOM 0 HD12 ILE A 504 -2.524 -3.008 -6.263 1.00 11.24 H new ATOM 0 HD13 ILE A 504 -3.068 -4.691 -6.062 1.00 11.24 H new ATOM 54 N PHE A 505 1.548 -6.748 -9.196 1.00 53.32 N ATOM 55 CA PHE A 505 1.910 -7.194 -10.516 1.00 62.42 C ATOM 56 C PHE A 505 0.880 -8.171 -11.031 1.00 35.02 C ATOM 57 O PHE A 505 0.456 -9.075 -10.303 1.00 30.24 O ATOM 58 CB PHE A 505 3.306 -7.814 -10.480 1.00 22.43 C ATOM 59 CG PHE A 505 4.349 -6.843 -10.006 1.00 11.10 C ATOM 60 CD1 PHE A 505 4.963 -5.981 -10.899 1.00 41.22 C ATOM 61 CD2 PHE A 505 4.695 -6.776 -8.664 1.00 41.55 C ATOM 62 CE1 PHE A 505 5.903 -5.067 -10.464 1.00 53.54 C ATOM 63 CE2 PHE A 505 5.637 -5.867 -8.225 1.00 42.53 C ATOM 64 CZ PHE A 505 6.241 -5.009 -9.127 1.00 31.24 C ATOM 0 H PHE A 505 1.626 -7.465 -8.475 1.00 53.32 H new ATOM 0 HA PHE A 505 1.933 -6.346 -11.200 1.00 62.42 H new ATOM 0 HB2 PHE A 505 3.298 -8.684 -9.824 1.00 22.43 H new ATOM 0 HB3 PHE A 505 3.569 -8.169 -11.476 1.00 22.43 H new ATOM 0 HD1 PHE A 505 4.704 -6.024 -11.947 1.00 41.22 H new ATOM 0 HD2 PHE A 505 4.223 -7.441 -7.956 1.00 41.55 H new ATOM 0 HE1 PHE A 505 6.373 -4.398 -11.170 1.00 53.54 H new ATOM 0 HE2 PHE A 505 5.902 -5.826 -7.179 1.00 42.53 H new ATOM 0 HZ PHE A 505 6.976 -4.295 -8.785 1.00 31.24 H new ATOM 74 N THR A 506 0.446 -7.978 -12.243 1.00 14.21 N ATOM 75 CA THR A 506 -0.576 -8.808 -12.798 1.00 61.05 C ATOM 76 C THR A 506 -0.384 -8.955 -14.328 1.00 13.32 C ATOM 77 O THR A 506 0.219 -8.102 -14.969 1.00 71.44 O ATOM 78 CB THR A 506 -1.968 -8.191 -12.445 1.00 53.35 C ATOM 79 OG1 THR A 506 -3.046 -9.064 -12.812 1.00 1.43 O ATOM 80 CG2 THR A 506 -2.154 -6.819 -13.100 1.00 43.23 C ATOM 0 H THR A 506 0.788 -7.247 -12.867 1.00 14.21 H new ATOM 0 HA THR A 506 -0.518 -9.810 -12.373 1.00 61.05 H new ATOM 0 HB THR A 506 -1.989 -8.063 -11.363 1.00 53.35 H new ATOM 0 HG1 THR A 506 -2.726 -9.990 -12.830 1.00 1.43 H new ATOM 0 HG21 THR A 506 -3.132 -6.418 -12.834 1.00 43.23 H new ATOM 0 HG22 THR A 506 -1.376 -6.140 -12.750 1.00 43.23 H new ATOM 0 HG23 THR A 506 -2.086 -6.921 -14.183 1.00 43.23 H new ATOM 88 N PHE A 507 -0.842 -10.057 -14.873 1.00 11.02 N ATOM 89 CA PHE A 507 -0.780 -10.328 -16.308 1.00 31.15 C ATOM 90 C PHE A 507 -1.755 -9.454 -17.080 1.00 0.54 C ATOM 91 O PHE A 507 -2.807 -9.081 -16.545 1.00 2.22 O ATOM 92 CB PHE A 507 -1.089 -11.795 -16.554 1.00 32.11 C ATOM 93 CG PHE A 507 -0.021 -12.704 -16.039 1.00 33.12 C ATOM 94 CD1 PHE A 507 1.213 -12.736 -16.654 1.00 73.11 C ATOM 95 CD2 PHE A 507 -0.243 -13.527 -14.954 1.00 4.43 C ATOM 96 CE1 PHE A 507 2.203 -13.568 -16.204 1.00 22.40 C ATOM 97 CE2 PHE A 507 0.743 -14.366 -14.495 1.00 12.25 C ATOM 98 CZ PHE A 507 1.970 -14.389 -15.122 1.00 51.03 C ATOM 0 H PHE A 507 -1.276 -10.806 -14.334 1.00 11.02 H new ATOM 0 HA PHE A 507 0.225 -10.096 -16.661 1.00 31.15 H new ATOM 0 HB2 PHE A 507 -2.036 -12.047 -16.077 1.00 32.11 H new ATOM 0 HB3 PHE A 507 -1.217 -11.961 -17.624 1.00 32.11 H new ATOM 0 HD1 PHE A 507 1.401 -12.095 -17.503 1.00 73.11 H new ATOM 0 HD2 PHE A 507 -1.203 -13.511 -14.460 1.00 4.43 H new ATOM 0 HE1 PHE A 507 3.164 -13.581 -16.696 1.00 22.40 H new ATOM 0 HE2 PHE A 507 0.557 -15.006 -13.645 1.00 12.25 H new ATOM 0 HZ PHE A 507 2.747 -15.049 -14.766 1.00 51.03 H new ATOM 108 N GLU A 508 -1.387 -9.101 -18.320 1.00 33.34 N ATOM 109 CA GLU A 508 -2.250 -8.305 -19.210 1.00 1.31 C ATOM 110 C GLU A 508 -3.632 -8.942 -19.331 1.00 22.35 C ATOM 111 O GLU A 508 -4.658 -8.314 -19.026 1.00 61.13 O ATOM 112 CB GLU A 508 -1.621 -8.168 -20.605 1.00 35.00 C ATOM 113 CG GLU A 508 -0.330 -7.372 -20.647 1.00 4.34 C ATOM 114 CD GLU A 508 0.260 -7.305 -22.039 1.00 74.41 C ATOM 115 OE1 GLU A 508 1.057 -8.205 -22.415 1.00 35.04 O ATOM 116 OE2 GLU A 508 -0.063 -6.360 -22.789 1.00 31.11 O ATOM 0 H GLU A 508 -0.490 -9.356 -18.734 1.00 33.34 H new ATOM 0 HA GLU A 508 -2.353 -7.312 -18.772 1.00 1.31 H new ATOM 0 HB2 GLU A 508 -1.429 -9.165 -21.001 1.00 35.00 H new ATOM 0 HB3 GLU A 508 -2.344 -7.695 -21.269 1.00 35.00 H new ATOM 0 HG2 GLU A 508 -0.518 -6.361 -20.286 1.00 4.34 H new ATOM 0 HG3 GLU A 508 0.395 -7.824 -19.969 1.00 4.34 H new ATOM 123 N GLU A 509 -3.651 -10.186 -19.733 1.00 64.04 N ATOM 124 CA GLU A 509 -4.873 -10.930 -19.882 1.00 33.35 C ATOM 125 C GLU A 509 -4.725 -12.209 -19.097 1.00 52.03 C ATOM 126 O GLU A 509 -3.603 -12.595 -18.795 1.00 1.21 O ATOM 127 CB GLU A 509 -5.140 -11.219 -21.366 1.00 53.20 C ATOM 128 CG GLU A 509 -5.455 -9.977 -22.184 1.00 43.31 C ATOM 129 CD GLU A 509 -5.525 -10.260 -23.659 1.00 41.02 C ATOM 130 OE1 GLU A 509 -6.581 -10.718 -24.153 1.00 51.25 O ATOM 131 OE2 GLU A 509 -4.501 -10.043 -24.355 1.00 51.32 O ATOM 0 H GLU A 509 -2.811 -10.715 -19.968 1.00 64.04 H new ATOM 0 HA GLU A 509 -5.723 -10.360 -19.506 1.00 33.35 H new ATOM 0 HB2 GLU A 509 -4.267 -11.713 -21.793 1.00 53.20 H new ATOM 0 HB3 GLU A 509 -5.973 -11.917 -21.447 1.00 53.20 H new ATOM 0 HG2 GLU A 509 -6.405 -9.559 -21.852 1.00 43.31 H new ATOM 0 HG3 GLU A 509 -4.692 -9.221 -21.998 1.00 43.31 H new ATOM 138 N PRO A 510 -5.821 -12.861 -18.708 1.00 12.41 N ATOM 139 CA PRO A 510 -5.744 -14.117 -17.971 1.00 73.43 C ATOM 140 C PRO A 510 -5.432 -15.310 -18.887 1.00 51.14 C ATOM 141 O PRO A 510 -4.895 -16.326 -18.449 1.00 24.31 O ATOM 142 CB PRO A 510 -7.139 -14.253 -17.353 1.00 33.20 C ATOM 143 CG PRO A 510 -8.047 -13.492 -18.263 1.00 63.40 C ATOM 144 CD PRO A 510 -7.221 -12.407 -18.900 1.00 62.13 C ATOM 0 HA PRO A 510 -4.941 -14.113 -17.234 1.00 73.43 H new ATOM 0 HB2 PRO A 510 -7.438 -15.299 -17.283 1.00 33.20 H new ATOM 0 HB3 PRO A 510 -7.163 -13.846 -16.342 1.00 33.20 H new ATOM 0 HG2 PRO A 510 -8.472 -14.149 -19.022 1.00 63.40 H new ATOM 0 HG3 PRO A 510 -8.882 -13.065 -17.707 1.00 63.40 H new ATOM 0 HD2 PRO A 510 -7.461 -12.291 -19.957 1.00 62.13 H new ATOM 0 HD3 PRO A 510 -7.396 -11.442 -18.425 1.00 62.13 H new ATOM 152 N VAL A 511 -5.752 -15.179 -20.157 1.00 62.04 N ATOM 153 CA VAL A 511 -5.544 -16.246 -21.112 1.00 41.14 C ATOM 154 C VAL A 511 -4.993 -15.681 -22.412 1.00 13.44 C ATOM 155 O VAL A 511 -5.411 -14.610 -22.858 1.00 32.31 O ATOM 156 CB VAL A 511 -6.875 -17.026 -21.383 1.00 53.11 C ATOM 157 CG1 VAL A 511 -6.711 -18.053 -22.477 1.00 43.13 C ATOM 158 CG2 VAL A 511 -7.359 -17.714 -20.120 1.00 32.41 C ATOM 0 H VAL A 511 -6.162 -14.334 -20.555 1.00 62.04 H new ATOM 0 HA VAL A 511 -4.822 -16.945 -20.691 1.00 41.14 H new ATOM 0 HB VAL A 511 -7.613 -16.292 -21.707 1.00 53.11 H new ATOM 0 HG11 VAL A 511 -7.657 -18.572 -22.634 1.00 43.13 H new ATOM 0 HG12 VAL A 511 -6.412 -17.557 -23.400 1.00 43.13 H new ATOM 0 HG13 VAL A 511 -5.946 -18.773 -22.188 1.00 43.13 H new ATOM 0 HG21 VAL A 511 -8.285 -18.250 -20.330 1.00 32.41 H new ATOM 0 HG22 VAL A 511 -6.602 -18.418 -19.776 1.00 32.41 H new ATOM 0 HG23 VAL A 511 -7.539 -16.968 -19.346 1.00 32.41 H new ATOM 168 N THR A 512 -4.041 -16.366 -22.984 1.00 74.02 N ATOM 169 CA THR A 512 -3.479 -15.982 -24.235 1.00 44.34 C ATOM 170 C THR A 512 -3.435 -17.200 -25.168 1.00 62.25 C ATOM 171 O THR A 512 -2.988 -18.299 -24.780 1.00 53.23 O ATOM 172 CB THR A 512 -2.063 -15.323 -24.058 1.00 14.13 C ATOM 173 OG1 THR A 512 -1.516 -14.905 -25.317 1.00 54.23 O ATOM 174 CG2 THR A 512 -1.081 -16.254 -23.374 1.00 51.51 C ATOM 0 H THR A 512 -3.635 -17.213 -22.586 1.00 74.02 H new ATOM 0 HA THR A 512 -4.112 -15.220 -24.689 1.00 44.34 H new ATOM 0 HB THR A 512 -2.214 -14.450 -23.424 1.00 14.13 H new ATOM 0 HG1 THR A 512 -0.636 -14.498 -25.172 1.00 54.23 H new ATOM 0 HG21 THR A 512 -0.117 -15.756 -23.274 1.00 51.51 H new ATOM 0 HG22 THR A 512 -1.458 -16.518 -22.386 1.00 51.51 H new ATOM 0 HG23 THR A 512 -0.962 -17.159 -23.970 1.00 51.51 H new ATOM 182 N HIS A 513 -3.968 -17.032 -26.350 1.00 5.41 N ATOM 183 CA HIS A 513 -3.951 -18.080 -27.337 1.00 15.53 C ATOM 184 C HIS A 513 -2.869 -17.742 -28.324 1.00 44.44 C ATOM 185 O HIS A 513 -2.985 -16.758 -29.067 1.00 43.13 O ATOM 186 CB HIS A 513 -5.312 -18.192 -28.062 1.00 43.01 C ATOM 187 CG HIS A 513 -6.484 -18.461 -27.153 1.00 52.11 C ATOM 188 ND1 HIS A 513 -7.463 -17.533 -26.863 1.00 71.02 N ATOM 189 CD2 HIS A 513 -6.830 -19.585 -26.478 1.00 35.32 C ATOM 190 CE1 HIS A 513 -8.346 -18.106 -26.039 1.00 4.32 C ATOM 191 NE2 HIS A 513 -8.007 -19.355 -25.773 1.00 33.35 N ATOM 0 H HIS A 513 -4.423 -16.171 -26.654 1.00 5.41 H new ATOM 0 HA HIS A 513 -3.763 -19.040 -26.857 1.00 15.53 H new ATOM 0 HB2 HIS A 513 -5.496 -17.266 -28.607 1.00 43.01 H new ATOM 0 HB3 HIS A 513 -5.251 -18.991 -28.801 1.00 43.01 H new ATOM 0 HD2 HIS A 513 -6.278 -20.513 -26.486 1.00 35.32 H new ATOM 0 HE1 HIS A 513 -9.221 -17.613 -25.643 1.00 4.32 H new ATOM 0 HE2 HIS A 513 -8.505 -20.014 -25.175 1.00 33.35 H new ATOM 199 N VAL A 514 -1.812 -18.507 -28.321 1.00 72.42 N ATOM 200 CA VAL A 514 -0.696 -18.220 -29.177 1.00 31.34 C ATOM 201 C VAL A 514 -0.536 -19.307 -30.200 1.00 75.23 C ATOM 202 O VAL A 514 -1.059 -20.413 -30.028 1.00 31.50 O ATOM 203 CB VAL A 514 0.638 -18.017 -28.389 1.00 32.13 C ATOM 204 CG1 VAL A 514 0.539 -16.818 -27.455 1.00 51.43 C ATOM 205 CG2 VAL A 514 1.023 -19.266 -27.607 1.00 4.00 C ATOM 0 H VAL A 514 -1.701 -19.334 -27.735 1.00 72.42 H new ATOM 0 HA VAL A 514 -0.913 -17.275 -29.676 1.00 31.34 H new ATOM 0 HB VAL A 514 1.422 -17.825 -29.122 1.00 32.13 H new ATOM 0 HG11 VAL A 514 1.479 -16.697 -26.917 1.00 51.43 H new ATOM 0 HG12 VAL A 514 0.335 -15.919 -28.037 1.00 51.43 H new ATOM 0 HG13 VAL A 514 -0.269 -16.979 -26.741 1.00 51.43 H new ATOM 0 HG21 VAL A 514 1.956 -19.087 -27.072 1.00 4.00 H new ATOM 0 HG22 VAL A 514 0.235 -19.506 -26.893 1.00 4.00 H new ATOM 0 HG23 VAL A 514 1.154 -20.100 -28.296 1.00 4.00 H new ATOM 215 N SER A 515 0.141 -18.980 -31.264 1.00 54.04 N ATOM 216 CA SER A 515 0.398 -19.907 -32.324 1.00 40.41 C ATOM 217 C SER A 515 1.621 -20.756 -32.014 1.00 61.24 C ATOM 218 O SER A 515 2.333 -20.509 -31.045 1.00 12.44 O ATOM 219 CB SER A 515 0.605 -19.132 -33.612 1.00 12.42 C ATOM 220 OG SER A 515 -0.532 -18.333 -33.893 1.00 62.12 O ATOM 0 H SER A 515 0.533 -18.051 -31.419 1.00 54.04 H new ATOM 0 HA SER A 515 -0.454 -20.579 -32.431 1.00 40.41 H new ATOM 0 HB2 SER A 515 1.490 -18.501 -33.527 1.00 12.42 H new ATOM 0 HB3 SER A 515 0.785 -19.823 -34.435 1.00 12.42 H new ATOM 0 HG SER A 515 -0.385 -17.837 -34.725 1.00 62.12 H new ATOM 226 N GLU A 516 1.870 -21.719 -32.846 1.00 25.13 N ATOM 227 CA GLU A 516 2.992 -22.591 -32.699 1.00 64.11 C ATOM 228 C GLU A 516 4.197 -21.965 -33.405 1.00 34.42 C ATOM 229 O GLU A 516 5.332 -22.051 -32.946 1.00 42.34 O ATOM 230 CB GLU A 516 2.675 -23.993 -33.291 1.00 33.40 C ATOM 231 CG GLU A 516 2.513 -24.080 -34.830 1.00 30.53 C ATOM 232 CD GLU A 516 1.302 -23.361 -35.413 1.00 42.54 C ATOM 233 OE1 GLU A 516 1.245 -22.102 -35.366 1.00 63.01 O ATOM 234 OE2 GLU A 516 0.421 -24.042 -35.975 1.00 12.42 O ATOM 0 H GLU A 516 1.290 -21.924 -33.659 1.00 25.13 H new ATOM 0 HA GLU A 516 3.218 -22.723 -31.641 1.00 64.11 H new ATOM 0 HB2 GLU A 516 3.471 -24.675 -32.994 1.00 33.40 H new ATOM 0 HB3 GLU A 516 1.756 -24.356 -32.831 1.00 33.40 H new ATOM 0 HG2 GLU A 516 3.411 -23.673 -35.294 1.00 30.53 H new ATOM 0 HG3 GLU A 516 2.457 -25.132 -35.111 1.00 30.53 H new ATOM 241 N SER A 517 3.910 -21.279 -34.489 1.00 54.42 N ATOM 242 CA SER A 517 4.913 -20.667 -35.327 1.00 50.50 C ATOM 243 C SER A 517 5.190 -19.225 -34.920 1.00 22.23 C ATOM 244 O SER A 517 5.806 -18.460 -35.665 1.00 22.33 O ATOM 245 CB SER A 517 4.445 -20.749 -36.773 1.00 2.53 C ATOM 246 OG SER A 517 4.253 -22.110 -37.134 1.00 71.41 O ATOM 0 H SER A 517 2.956 -21.129 -34.817 1.00 54.42 H new ATOM 0 HA SER A 517 5.854 -21.204 -35.210 1.00 50.50 H new ATOM 0 HB2 SER A 517 3.515 -20.194 -36.897 1.00 2.53 H new ATOM 0 HB3 SER A 517 5.181 -20.288 -37.431 1.00 2.53 H new ATOM 0 HG SER A 517 3.950 -22.162 -38.065 1.00 71.41 H new ATOM 252 N ILE A 518 4.783 -18.872 -33.718 1.00 60.22 N ATOM 253 CA ILE A 518 4.975 -17.525 -33.234 1.00 23.15 C ATOM 254 C ILE A 518 6.436 -17.315 -32.800 1.00 53.04 C ATOM 255 O ILE A 518 6.976 -16.208 -32.882 1.00 61.32 O ATOM 256 CB ILE A 518 4.008 -17.190 -32.060 1.00 12.13 C ATOM 257 CG1 ILE A 518 4.097 -15.696 -31.712 1.00 61.00 C ATOM 258 CG2 ILE A 518 4.289 -18.066 -30.832 1.00 53.20 C ATOM 259 CD1 ILE A 518 3.304 -15.285 -30.503 1.00 71.30 C ATOM 0 H ILE A 518 4.318 -19.499 -33.061 1.00 60.22 H new ATOM 0 HA ILE A 518 4.746 -16.845 -34.054 1.00 23.15 H new ATOM 0 HB ILE A 518 2.990 -17.410 -32.382 1.00 12.13 H new ATOM 0 HG12 ILE A 518 5.143 -15.436 -31.549 1.00 61.00 H new ATOM 0 HG13 ILE A 518 3.754 -15.116 -32.569 1.00 61.00 H new ATOM 0 HG21 ILE A 518 3.596 -17.805 -30.032 1.00 53.20 H new ATOM 0 HG22 ILE A 518 4.159 -19.115 -31.096 1.00 53.20 H new ATOM 0 HG23 ILE A 518 5.312 -17.901 -30.494 1.00 53.20 H new ATOM 0 HD11 ILE A 518 3.427 -14.215 -30.334 1.00 71.30 H new ATOM 0 HD12 ILE A 518 2.250 -15.508 -30.666 1.00 71.30 H new ATOM 0 HD13 ILE A 518 3.660 -15.833 -29.631 1.00 71.30 H new ATOM 271 N GLY A 519 7.071 -18.384 -32.356 1.00 21.12 N ATOM 272 CA GLY A 519 8.429 -18.300 -31.914 1.00 31.34 C ATOM 273 C GLY A 519 8.537 -17.829 -30.485 1.00 21.12 C ATOM 274 O GLY A 519 8.860 -18.601 -29.586 1.00 25.53 O ATOM 0 H GLY A 519 6.659 -19.315 -32.296 1.00 21.12 H new ATOM 0 HA2 GLY A 519 8.901 -19.278 -32.009 1.00 31.34 H new ATOM 0 HA3 GLY A 519 8.978 -17.617 -32.562 1.00 31.34 H new ATOM 278 N ILE A 520 8.230 -16.576 -30.264 1.00 43.21 N ATOM 279 CA ILE A 520 8.346 -15.979 -28.958 1.00 0.30 C ATOM 280 C ILE A 520 7.044 -15.295 -28.632 1.00 64.45 C ATOM 281 O ILE A 520 6.575 -14.459 -29.404 1.00 4.50 O ATOM 282 CB ILE A 520 9.489 -14.904 -28.898 1.00 44.42 C ATOM 283 CG1 ILE A 520 10.859 -15.481 -29.315 1.00 5.10 C ATOM 284 CG2 ILE A 520 9.580 -14.274 -27.509 1.00 60.22 C ATOM 285 CD1 ILE A 520 11.390 -16.580 -28.414 1.00 20.22 C ATOM 0 H ILE A 520 7.892 -15.940 -30.986 1.00 43.21 H new ATOM 0 HA ILE A 520 8.583 -16.770 -28.246 1.00 0.30 H new ATOM 0 HB ILE A 520 9.226 -14.129 -29.618 1.00 44.42 H new ATOM 0 HG12 ILE A 520 10.779 -15.870 -30.330 1.00 5.10 H new ATOM 0 HG13 ILE A 520 11.586 -14.669 -29.341 1.00 5.10 H new ATOM 0 HG21 ILE A 520 10.380 -13.534 -27.497 1.00 60.22 H new ATOM 0 HG22 ILE A 520 8.634 -13.790 -27.266 1.00 60.22 H new ATOM 0 HG23 ILE A 520 9.791 -15.048 -26.771 1.00 60.22 H new ATOM 0 HD11 ILE A 520 12.356 -16.922 -28.787 1.00 20.22 H new ATOM 0 HD12 ILE A 520 11.508 -16.195 -27.401 1.00 20.22 H new ATOM 0 HD13 ILE A 520 10.689 -17.414 -28.406 1.00 20.22 H new ATOM 297 N MET A 521 6.452 -15.651 -27.537 1.00 50.34 N ATOM 298 CA MET A 521 5.247 -14.990 -27.104 1.00 20.24 C ATOM 299 C MET A 521 5.640 -13.907 -26.107 1.00 73.53 C ATOM 300 O MET A 521 6.676 -14.038 -25.429 1.00 40.30 O ATOM 301 CB MET A 521 4.235 -16.014 -26.544 1.00 30.15 C ATOM 302 CG MET A 521 4.735 -16.818 -25.364 1.00 23.35 C ATOM 303 SD MET A 521 4.528 -15.986 -23.788 1.00 21.41 S ATOM 304 CE MET A 521 2.760 -16.094 -23.612 1.00 41.43 C ATOM 0 H MET A 521 6.778 -16.396 -26.921 1.00 50.34 H new ATOM 0 HA MET A 521 4.735 -14.511 -27.939 1.00 20.24 H new ATOM 0 HB2 MET A 521 3.330 -15.484 -26.248 1.00 30.15 H new ATOM 0 HB3 MET A 521 3.955 -16.702 -27.342 1.00 30.15 H new ATOM 0 HG2 MET A 521 4.207 -17.771 -25.334 1.00 23.35 H new ATOM 0 HG3 MET A 521 5.791 -17.044 -25.510 1.00 23.35 H new ATOM 0 HE1 MET A 521 2.490 -15.958 -22.565 1.00 41.43 H new ATOM 0 HE2 MET A 521 2.286 -15.317 -24.213 1.00 41.43 H new ATOM 0 HE3 MET A 521 2.420 -17.073 -23.951 1.00 41.43 H new ATOM 314 N GLU A 522 4.870 -12.840 -26.053 1.00 2.44 N ATOM 315 CA GLU A 522 5.201 -11.682 -25.244 1.00 43.32 C ATOM 316 C GLU A 522 4.051 -11.246 -24.349 1.00 32.22 C ATOM 317 O GLU A 522 2.999 -10.782 -24.829 1.00 62.14 O ATOM 318 CB GLU A 522 5.649 -10.520 -26.141 1.00 72.32 C ATOM 319 CG GLU A 522 7.023 -10.711 -26.759 1.00 20.23 C ATOM 320 CD GLU A 522 7.368 -9.658 -27.757 1.00 11.45 C ATOM 321 OE1 GLU A 522 6.919 -9.763 -28.916 1.00 25.30 O ATOM 322 OE2 GLU A 522 8.115 -8.713 -27.418 1.00 42.23 O ATOM 0 H GLU A 522 3.995 -12.750 -26.569 1.00 2.44 H new ATOM 0 HA GLU A 522 6.021 -11.973 -24.588 1.00 43.32 H new ATOM 0 HB2 GLU A 522 4.918 -10.388 -26.939 1.00 72.32 H new ATOM 0 HB3 GLU A 522 5.650 -9.601 -25.554 1.00 72.32 H new ATOM 0 HG2 GLU A 522 7.773 -10.713 -25.968 1.00 20.23 H new ATOM 0 HG3 GLU A 522 7.065 -11.688 -27.241 1.00 20.23 H new ATOM 329 N VAL A 523 4.249 -11.396 -23.066 1.00 74.32 N ATOM 330 CA VAL A 523 3.283 -10.974 -22.069 1.00 54.32 C ATOM 331 C VAL A 523 3.924 -9.969 -21.137 1.00 43.14 C ATOM 332 O VAL A 523 5.020 -10.209 -20.624 1.00 41.22 O ATOM 333 CB VAL A 523 2.755 -12.180 -21.238 1.00 25.52 C ATOM 334 CG1 VAL A 523 1.861 -11.732 -20.084 1.00 3.12 C ATOM 335 CG2 VAL A 523 1.992 -13.125 -22.123 1.00 65.34 C ATOM 0 H VAL A 523 5.091 -11.818 -22.673 1.00 74.32 H new ATOM 0 HA VAL A 523 2.439 -10.522 -22.590 1.00 54.32 H new ATOM 0 HB VAL A 523 3.623 -12.686 -20.816 1.00 25.52 H new ATOM 0 HG11 VAL A 523 1.515 -12.606 -19.531 1.00 3.12 H new ATOM 0 HG12 VAL A 523 2.426 -11.081 -19.417 1.00 3.12 H new ATOM 0 HG13 VAL A 523 1.002 -11.189 -20.479 1.00 3.12 H new ATOM 0 HG21 VAL A 523 1.628 -13.964 -21.531 1.00 65.34 H new ATOM 0 HG22 VAL A 523 1.146 -12.602 -22.570 1.00 65.34 H new ATOM 0 HG23 VAL A 523 2.648 -13.495 -22.911 1.00 65.34 H new ATOM 345 N LYS A 524 3.281 -8.847 -20.951 1.00 0.30 N ATOM 346 CA LYS A 524 3.751 -7.866 -20.009 1.00 25.43 C ATOM 347 C LYS A 524 3.127 -8.113 -18.662 1.00 63.02 C ATOM 348 O LYS A 524 2.001 -8.629 -18.558 1.00 44.42 O ATOM 349 CB LYS A 524 3.405 -6.445 -20.439 1.00 11.25 C ATOM 350 CG LYS A 524 4.130 -5.929 -21.656 1.00 31.13 C ATOM 351 CD LYS A 524 3.653 -4.530 -21.975 1.00 62.12 C ATOM 352 CE LYS A 524 4.369 -3.942 -23.172 1.00 64.31 C ATOM 353 NZ LYS A 524 3.804 -2.630 -23.555 1.00 13.04 N ATOM 0 H LYS A 524 2.425 -8.589 -21.442 1.00 0.30 H new ATOM 0 HA LYS A 524 4.836 -7.963 -19.962 1.00 25.43 H new ATOM 0 HB2 LYS A 524 2.333 -6.395 -20.631 1.00 11.25 H new ATOM 0 HB3 LYS A 524 3.611 -5.774 -19.605 1.00 11.25 H new ATOM 0 HG2 LYS A 524 5.205 -5.926 -21.477 1.00 31.13 H new ATOM 0 HG3 LYS A 524 3.950 -6.588 -22.505 1.00 31.13 H new ATOM 0 HD2 LYS A 524 2.580 -4.549 -22.168 1.00 62.12 H new ATOM 0 HD3 LYS A 524 3.810 -3.888 -21.108 1.00 62.12 H new ATOM 0 HE2 LYS A 524 5.429 -3.829 -22.943 1.00 64.31 H new ATOM 0 HE3 LYS A 524 4.296 -4.630 -24.014 1.00 64.31 H new ATOM 0 HZ1 LYS A 524 4.319 -2.257 -24.378 1.00 13.04 H new ATOM 0 HZ2 LYS A 524 2.799 -2.742 -23.797 1.00 13.04 H new ATOM 0 HZ3 LYS A 524 3.897 -1.967 -22.759 1.00 13.04 H new ATOM 367 N VAL A 525 3.848 -7.769 -17.645 1.00 15.23 N ATOM 368 CA VAL A 525 3.341 -7.821 -16.312 1.00 42.00 C ATOM 369 C VAL A 525 3.043 -6.396 -15.907 1.00 43.23 C ATOM 370 O VAL A 525 3.961 -5.588 -15.709 1.00 50.14 O ATOM 371 CB VAL A 525 4.346 -8.450 -15.324 1.00 23.34 C ATOM 372 CG1 VAL A 525 3.760 -8.526 -13.929 1.00 1.10 C ATOM 373 CG2 VAL A 525 4.786 -9.823 -15.793 1.00 30.45 C ATOM 0 H VAL A 525 4.812 -7.442 -17.716 1.00 15.23 H new ATOM 0 HA VAL A 525 2.451 -8.450 -16.284 1.00 42.00 H new ATOM 0 HB VAL A 525 5.225 -7.806 -15.290 1.00 23.34 H new ATOM 0 HG11 VAL A 525 4.488 -8.973 -13.252 1.00 1.10 H new ATOM 0 HG12 VAL A 525 3.512 -7.522 -13.583 1.00 1.10 H new ATOM 0 HG13 VAL A 525 2.858 -9.137 -13.946 1.00 1.10 H new ATOM 0 HG21 VAL A 525 5.494 -10.242 -15.078 1.00 30.45 H new ATOM 0 HG22 VAL A 525 3.917 -10.477 -15.870 1.00 30.45 H new ATOM 0 HG23 VAL A 525 5.264 -9.738 -16.769 1.00 30.45 H new ATOM 383 N LEU A 526 1.786 -6.090 -15.840 1.00 12.11 N ATOM 384 CA LEU A 526 1.322 -4.768 -15.563 1.00 4.34 C ATOM 385 C LEU A 526 1.480 -4.466 -14.091 1.00 32.24 C ATOM 386 O LEU A 526 1.225 -5.323 -13.230 1.00 12.11 O ATOM 387 CB LEU A 526 -0.135 -4.622 -16.010 1.00 25.04 C ATOM 388 CG LEU A 526 -0.401 -4.907 -17.501 1.00 54.45 C ATOM 389 CD1 LEU A 526 -1.880 -4.840 -17.812 1.00 72.03 C ATOM 390 CD2 LEU A 526 0.371 -3.935 -18.391 1.00 63.50 C ATOM 0 H LEU A 526 1.037 -6.768 -15.980 1.00 12.11 H new ATOM 0 HA LEU A 526 1.919 -4.047 -16.121 1.00 4.34 H new ATOM 0 HB2 LEU A 526 -0.750 -5.296 -15.413 1.00 25.04 H new ATOM 0 HB3 LEU A 526 -0.466 -3.608 -15.787 1.00 25.04 H new ATOM 0 HG LEU A 526 -0.051 -5.918 -17.710 1.00 54.45 H new ATOM 0 HD11 LEU A 526 -2.039 -5.045 -18.871 1.00 72.03 H new ATOM 0 HD12 LEU A 526 -2.411 -5.581 -17.215 1.00 72.03 H new ATOM 0 HD13 LEU A 526 -2.257 -3.845 -17.575 1.00 72.03 H new ATOM 0 HD21 LEU A 526 0.165 -4.158 -19.438 1.00 63.50 H new ATOM 0 HD22 LEU A 526 0.060 -2.914 -18.170 1.00 63.50 H new ATOM 0 HD23 LEU A 526 1.439 -4.038 -18.201 1.00 63.50 H new ATOM 402 N ARG A 527 1.941 -3.284 -13.807 1.00 14.14 N ATOM 403 CA ARG A 527 2.191 -2.864 -12.454 1.00 41.12 C ATOM 404 C ARG A 527 1.071 -1.916 -12.060 1.00 72.42 C ATOM 405 O ARG A 527 1.039 -0.768 -12.487 1.00 1.00 O ATOM 406 CB ARG A 527 3.550 -2.149 -12.451 1.00 33.11 C ATOM 407 CG ARG A 527 4.585 -2.914 -13.280 1.00 43.45 C ATOM 408 CD ARG A 527 5.883 -2.172 -13.445 1.00 73.34 C ATOM 409 NE ARG A 527 6.699 -2.163 -12.227 1.00 43.53 N ATOM 410 CZ ARG A 527 7.959 -1.733 -12.195 1.00 24.31 C ATOM 411 NH1 ARG A 527 8.506 -1.254 -13.290 1.00 20.01 N ATOM 412 NH2 ARG A 527 8.678 -1.811 -11.072 1.00 61.42 N ATOM 0 H ARG A 527 2.157 -2.577 -14.510 1.00 14.14 H new ATOM 0 HA ARG A 527 2.218 -3.694 -11.748 1.00 41.12 H new ATOM 0 HB2 ARG A 527 3.434 -1.142 -12.851 1.00 33.11 H new ATOM 0 HB3 ARG A 527 3.906 -2.046 -11.426 1.00 33.11 H new ATOM 0 HG2 ARG A 527 4.782 -3.875 -12.805 1.00 43.45 H new ATOM 0 HG3 ARG A 527 4.168 -3.125 -14.265 1.00 43.45 H new ATOM 0 HD2 ARG A 527 6.454 -2.627 -14.254 1.00 73.34 H new ATOM 0 HD3 ARG A 527 5.672 -1.145 -13.742 1.00 73.34 H new ATOM 0 HE ARG A 527 6.281 -2.503 -11.361 1.00 43.53 H new ATOM 0 HH11 ARG A 527 7.966 -1.214 -14.154 1.00 20.01 H new ATOM 0 HH12 ARG A 527 9.470 -0.922 -13.275 1.00 20.01 H new ATOM 0 HH21 ARG A 527 8.263 -2.203 -10.227 1.00 61.42 H new ATOM 0 HH22 ARG A 527 9.642 -1.478 -11.060 1.00 61.42 H new ATOM 426 N THR A 528 0.136 -2.425 -11.296 1.00 12.40 N ATOM 427 CA THR A 528 -1.053 -1.691 -10.913 1.00 23.53 C ATOM 428 C THR A 528 -0.793 -0.493 -9.956 1.00 34.44 C ATOM 429 O THR A 528 -1.051 0.664 -10.311 1.00 0.42 O ATOM 430 CB THR A 528 -2.096 -2.652 -10.327 1.00 72.04 C ATOM 431 OG1 THR A 528 -2.166 -3.803 -11.178 1.00 3.22 O ATOM 432 CG2 THR A 528 -3.469 -1.999 -10.281 1.00 70.15 C ATOM 0 H THR A 528 0.176 -3.371 -10.916 1.00 12.40 H new ATOM 0 HA THR A 528 -1.437 -1.239 -11.827 1.00 23.53 H new ATOM 0 HB THR A 528 -1.804 -2.923 -9.312 1.00 72.04 H new ATOM 0 HG1 THR A 528 -2.826 -4.433 -10.822 1.00 3.22 H new ATOM 0 HG21 THR A 528 -4.191 -2.700 -9.862 1.00 70.15 H new ATOM 0 HG22 THR A 528 -3.426 -1.106 -9.658 1.00 70.15 H new ATOM 0 HG23 THR A 528 -3.775 -1.723 -11.290 1.00 70.15 H new ATOM 440 N SER A 529 -0.281 -0.776 -8.763 1.00 70.23 N ATOM 441 CA SER A 529 -0.127 0.255 -7.738 1.00 52.32 C ATOM 442 C SER A 529 1.021 1.231 -8.049 1.00 11.52 C ATOM 443 O SER A 529 0.827 2.452 -8.015 1.00 34.33 O ATOM 444 CB SER A 529 0.019 -0.377 -6.338 1.00 51.14 C ATOM 445 OG SER A 529 0.088 0.612 -5.313 1.00 51.32 O ATOM 0 H SER A 529 0.033 -1.704 -8.481 1.00 70.23 H new ATOM 0 HA SER A 529 -1.040 0.851 -7.743 1.00 52.32 H new ATOM 0 HB2 SER A 529 -0.826 -1.038 -6.148 1.00 51.14 H new ATOM 0 HB3 SER A 529 0.918 -0.993 -6.310 1.00 51.14 H new ATOM 0 HG SER A 529 0.179 0.174 -4.441 1.00 51.32 H new ATOM 451 N GLY A 530 2.197 0.709 -8.344 1.00 71.44 N ATOM 452 CA GLY A 530 3.319 1.555 -8.650 1.00 14.12 C ATOM 453 C GLY A 530 4.614 0.844 -8.406 1.00 14.33 C ATOM 454 O GLY A 530 4.630 -0.403 -8.352 1.00 72.22 O ATOM 0 H GLY A 530 2.393 -0.292 -8.376 1.00 71.44 H new ATOM 0 HA2 GLY A 530 3.266 1.872 -9.691 1.00 14.12 H new ATOM 0 HA3 GLY A 530 3.275 2.457 -8.039 1.00 14.12 H new ATOM 458 N ALA A 531 5.695 1.615 -8.260 1.00 51.22 N ATOM 459 CA ALA A 531 7.027 1.091 -8.030 1.00 71.02 C ATOM 460 C ALA A 531 7.995 2.239 -7.798 1.00 62.22 C ATOM 461 O ALA A 531 7.650 3.390 -8.061 1.00 2.12 O ATOM 462 CB ALA A 531 7.488 0.284 -9.221 1.00 34.31 C ATOM 0 H ALA A 531 5.660 2.634 -8.300 1.00 51.22 H new ATOM 0 HA ALA A 531 7.001 0.446 -7.151 1.00 71.02 H new ATOM 0 HB1 ALA A 531 8.490 -0.103 -9.033 1.00 34.31 H new ATOM 0 HB2 ALA A 531 6.803 -0.548 -9.384 1.00 34.31 H new ATOM 0 HB3 ALA A 531 7.505 0.919 -10.107 1.00 34.31 H new ATOM 468 N ARG A 532 9.182 1.920 -7.291 1.00 62.21 N ATOM 469 CA ARG A 532 10.257 2.876 -7.055 1.00 21.41 C ATOM 470 C ARG A 532 11.490 2.110 -6.558 1.00 63.01 C ATOM 471 O ARG A 532 11.515 1.628 -5.419 1.00 74.12 O ATOM 472 CB ARG A 532 9.830 3.929 -6.011 1.00 32.54 C ATOM 473 CG ARG A 532 10.864 5.020 -5.724 1.00 24.34 C ATOM 474 CD ARG A 532 11.190 5.862 -6.958 1.00 33.12 C ATOM 475 NE ARG A 532 10.028 6.598 -7.489 1.00 12.22 N ATOM 476 CZ ARG A 532 10.103 7.598 -8.391 1.00 13.22 C ATOM 477 NH1 ARG A 532 11.274 7.987 -8.864 1.00 31.03 N ATOM 478 NH2 ARG A 532 9.001 8.193 -8.815 1.00 45.14 N ATOM 0 H ARG A 532 9.428 0.966 -7.027 1.00 62.21 H new ATOM 0 HA ARG A 532 10.490 3.399 -7.983 1.00 21.41 H new ATOM 0 HB2 ARG A 532 8.910 4.404 -6.353 1.00 32.54 H new ATOM 0 HB3 ARG A 532 9.597 3.417 -5.077 1.00 32.54 H new ATOM 0 HG2 ARG A 532 10.490 5.671 -4.933 1.00 24.34 H new ATOM 0 HG3 ARG A 532 11.779 4.559 -5.351 1.00 24.34 H new ATOM 0 HD2 ARG A 532 11.977 6.573 -6.706 1.00 33.12 H new ATOM 0 HD3 ARG A 532 11.586 5.212 -7.738 1.00 33.12 H new ATOM 0 HE ARG A 532 9.103 6.332 -7.151 1.00 12.22 H new ATOM 0 HH11 ARG A 532 12.129 7.530 -8.547 1.00 31.03 H new ATOM 0 HH12 ARG A 532 11.323 8.744 -9.546 1.00 31.03 H new ATOM 0 HH21 ARG A 532 8.092 7.896 -8.460 1.00 45.14 H new ATOM 0 HH22 ARG A 532 9.060 8.949 -9.497 1.00 45.14 H new ATOM 492 N GLY A 533 12.465 1.947 -7.413 1.00 1.02 N ATOM 493 CA GLY A 533 13.670 1.239 -7.045 1.00 34.10 C ATOM 494 C GLY A 533 13.889 0.056 -7.948 1.00 53.35 C ATOM 495 O GLY A 533 13.893 0.203 -9.163 1.00 21.20 O ATOM 0 H GLY A 533 12.451 2.294 -8.372 1.00 1.02 H new ATOM 0 HA2 GLY A 533 14.526 1.912 -7.105 1.00 34.10 H new ATOM 0 HA3 GLY A 533 13.599 0.905 -6.010 1.00 34.10 H new ATOM 499 N ASN A 534 14.055 -1.107 -7.371 1.00 44.21 N ATOM 500 CA ASN A 534 14.233 -2.328 -8.138 1.00 13.11 C ATOM 501 C ASN A 534 13.385 -3.415 -7.504 1.00 4.40 C ATOM 502 O ASN A 534 13.436 -3.609 -6.306 1.00 71.12 O ATOM 503 CB ASN A 534 15.711 -2.743 -8.157 1.00 21.54 C ATOM 504 CG ASN A 534 15.995 -3.911 -9.092 1.00 30.22 C ATOM 505 OD1 ASN A 534 15.905 -5.077 -8.708 1.00 62.00 O ATOM 506 ND2 ASN A 534 16.377 -3.606 -10.315 1.00 71.44 N ATOM 0 H ASN A 534 14.072 -1.241 -6.360 1.00 44.21 H new ATOM 0 HA ASN A 534 13.922 -2.166 -9.170 1.00 13.11 H new ATOM 0 HB2 ASN A 534 16.317 -1.889 -8.459 1.00 21.54 H new ATOM 0 HB3 ASN A 534 16.019 -3.012 -7.147 1.00 21.54 H new ATOM 0 HD21 ASN A 534 16.609 -4.347 -10.977 1.00 71.44 H new ATOM 0 HD22 ASN A 534 16.441 -2.629 -10.601 1.00 71.44 H new ATOM 513 N VAL A 535 12.573 -4.067 -8.278 1.00 54.23 N ATOM 514 CA VAL A 535 11.686 -5.097 -7.779 1.00 51.51 C ATOM 515 C VAL A 535 11.851 -6.352 -8.627 1.00 72.20 C ATOM 516 O VAL A 535 11.818 -6.283 -9.861 1.00 31.41 O ATOM 517 CB VAL A 535 10.187 -4.647 -7.843 1.00 55.33 C ATOM 518 CG1 VAL A 535 9.271 -5.679 -7.197 1.00 74.31 C ATOM 519 CG2 VAL A 535 9.981 -3.277 -7.205 1.00 40.51 C ATOM 0 H VAL A 535 12.499 -3.905 -9.282 1.00 54.23 H new ATOM 0 HA VAL A 535 11.947 -5.290 -6.738 1.00 51.51 H new ATOM 0 HB VAL A 535 9.923 -4.568 -8.898 1.00 55.33 H new ATOM 0 HG11 VAL A 535 8.238 -5.337 -7.258 1.00 74.31 H new ATOM 0 HG12 VAL A 535 9.370 -6.631 -7.719 1.00 74.31 H new ATOM 0 HG13 VAL A 535 9.549 -5.809 -6.151 1.00 74.31 H new ATOM 0 HG21 VAL A 535 8.929 -3.000 -7.269 1.00 40.51 H new ATOM 0 HG22 VAL A 535 10.283 -3.314 -6.158 1.00 40.51 H new ATOM 0 HG23 VAL A 535 10.584 -2.536 -7.731 1.00 40.51 H new ATOM 529 N ILE A 536 12.037 -7.473 -7.990 1.00 42.05 N ATOM 530 CA ILE A 536 12.162 -8.726 -8.700 1.00 51.55 C ATOM 531 C ILE A 536 10.853 -9.445 -8.617 1.00 72.21 C ATOM 532 O ILE A 536 10.348 -9.695 -7.519 1.00 50.22 O ATOM 533 CB ILE A 536 13.282 -9.637 -8.131 1.00 54.13 C ATOM 534 CG1 ILE A 536 14.636 -8.920 -8.165 1.00 72.20 C ATOM 535 CG2 ILE A 536 13.348 -10.977 -8.885 1.00 54.14 C ATOM 536 CD1 ILE A 536 15.070 -8.462 -9.539 1.00 22.24 C ATOM 0 H ILE A 536 12.106 -7.551 -6.975 1.00 42.05 H new ATOM 0 HA ILE A 536 12.433 -8.499 -9.731 1.00 51.55 H new ATOM 0 HB ILE A 536 13.040 -9.855 -7.091 1.00 54.13 H new ATOM 0 HG12 ILE A 536 14.591 -8.054 -7.505 1.00 72.20 H new ATOM 0 HG13 ILE A 536 15.397 -9.588 -7.762 1.00 72.20 H new ATOM 0 HG21 ILE A 536 14.142 -11.593 -8.463 1.00 54.14 H new ATOM 0 HG22 ILE A 536 12.395 -11.497 -8.787 1.00 54.14 H new ATOM 0 HG23 ILE A 536 13.554 -10.792 -9.939 1.00 54.14 H new ATOM 0 HD11 ILE A 536 16.038 -7.965 -9.468 1.00 22.24 H new ATOM 0 HD12 ILE A 536 15.152 -9.324 -10.201 1.00 22.24 H new ATOM 0 HD13 ILE A 536 14.333 -7.766 -9.940 1.00 22.24 H new ATOM 548 N VAL A 537 10.301 -9.749 -9.751 1.00 33.04 N ATOM 549 CA VAL A 537 9.037 -10.433 -9.832 1.00 23.24 C ATOM 550 C VAL A 537 9.259 -11.778 -10.501 1.00 24.34 C ATOM 551 O VAL A 537 9.473 -11.847 -11.708 1.00 71.45 O ATOM 552 CB VAL A 537 7.992 -9.616 -10.639 1.00 71.15 C ATOM 553 CG1 VAL A 537 6.631 -10.301 -10.634 1.00 65.01 C ATOM 554 CG2 VAL A 537 7.879 -8.206 -10.096 1.00 53.42 C ATOM 0 H VAL A 537 10.715 -9.530 -10.657 1.00 33.04 H new ATOM 0 HA VAL A 537 8.645 -10.562 -8.823 1.00 23.24 H new ATOM 0 HB VAL A 537 8.337 -9.563 -11.672 1.00 71.15 H new ATOM 0 HG11 VAL A 537 5.921 -9.704 -11.207 1.00 65.01 H new ATOM 0 HG12 VAL A 537 6.720 -11.290 -11.083 1.00 65.01 H new ATOM 0 HG13 VAL A 537 6.277 -10.399 -9.608 1.00 65.01 H new ATOM 0 HG21 VAL A 537 7.142 -7.651 -10.676 1.00 53.42 H new ATOM 0 HG22 VAL A 537 7.568 -8.242 -9.052 1.00 53.42 H new ATOM 0 HG23 VAL A 537 8.847 -7.709 -10.169 1.00 53.42 H new ATOM 564 N PRO A 538 9.297 -12.848 -9.725 1.00 14.35 N ATOM 565 CA PRO A 538 9.499 -14.167 -10.262 1.00 52.33 C ATOM 566 C PRO A 538 8.228 -14.754 -10.885 1.00 32.20 C ATOM 567 O PRO A 538 7.136 -14.646 -10.330 1.00 32.03 O ATOM 568 CB PRO A 538 9.953 -15.005 -9.061 1.00 52.12 C ATOM 569 CG PRO A 538 9.628 -14.214 -7.828 1.00 33.20 C ATOM 570 CD PRO A 538 9.161 -12.848 -8.254 1.00 70.32 C ATOM 0 HA PRO A 538 10.227 -14.153 -11.073 1.00 52.33 H new ATOM 0 HB2 PRO A 538 9.443 -15.968 -9.047 1.00 52.12 H new ATOM 0 HB3 PRO A 538 11.022 -15.211 -9.116 1.00 52.12 H new ATOM 0 HG2 PRO A 538 8.854 -14.716 -7.247 1.00 33.20 H new ATOM 0 HG3 PRO A 538 10.505 -14.133 -7.186 1.00 33.20 H new ATOM 0 HD2 PRO A 538 8.129 -12.670 -7.952 1.00 70.32 H new ATOM 0 HD3 PRO A 538 9.766 -12.063 -7.800 1.00 70.32 H new ATOM 578 N TYR A 539 8.376 -15.342 -12.046 1.00 4.13 N ATOM 579 CA TYR A 539 7.286 -16.028 -12.708 1.00 1.34 C ATOM 580 C TYR A 539 7.678 -17.478 -12.883 1.00 51.42 C ATOM 581 O TYR A 539 8.854 -17.819 -12.686 1.00 43.23 O ATOM 582 CB TYR A 539 6.957 -15.388 -14.099 1.00 50.10 C ATOM 583 CG TYR A 539 8.102 -15.374 -15.139 1.00 20.32 C ATOM 584 CD1 TYR A 539 8.690 -16.543 -15.591 1.00 44.21 C ATOM 585 CD2 TYR A 539 8.567 -14.191 -15.665 1.00 41.44 C ATOM 586 CE1 TYR A 539 9.698 -16.534 -16.513 1.00 54.10 C ATOM 587 CE2 TYR A 539 9.589 -14.175 -16.608 1.00 63.43 C ATOM 588 CZ TYR A 539 10.151 -15.352 -17.019 1.00 11.35 C ATOM 589 OH TYR A 539 11.162 -15.348 -17.962 1.00 75.52 O ATOM 0 H TYR A 539 9.255 -15.360 -12.562 1.00 4.13 H new ATOM 0 HA TYR A 539 6.388 -15.942 -12.096 1.00 1.34 H new ATOM 0 HB2 TYR A 539 6.111 -15.924 -14.530 1.00 50.10 H new ATOM 0 HB3 TYR A 539 6.633 -14.360 -13.934 1.00 50.10 H new ATOM 0 HD1 TYR A 539 8.342 -17.489 -15.204 1.00 44.21 H new ATOM 0 HD2 TYR A 539 8.131 -13.258 -15.340 1.00 41.44 H new ATOM 0 HE1 TYR A 539 10.137 -17.465 -16.841 1.00 54.10 H new ATOM 0 HE2 TYR A 539 9.937 -13.237 -17.014 1.00 63.43 H new ATOM 0 HH TYR A 539 11.366 -14.425 -18.219 1.00 75.52 H new ATOM 599 N LYS A 540 6.745 -18.325 -13.244 1.00 55.12 N ATOM 600 CA LYS A 540 7.069 -19.704 -13.565 1.00 43.52 C ATOM 601 C LYS A 540 5.998 -20.329 -14.428 1.00 45.12 C ATOM 602 O LYS A 540 4.791 -20.111 -14.206 1.00 51.45 O ATOM 603 CB LYS A 540 7.347 -20.546 -12.312 1.00 20.23 C ATOM 604 CG LYS A 540 6.182 -20.668 -11.354 1.00 11.25 C ATOM 605 CD LYS A 540 6.615 -21.351 -10.084 1.00 44.21 C ATOM 606 CE LYS A 540 5.467 -21.507 -9.114 1.00 45.24 C ATOM 607 NZ LYS A 540 5.952 -21.946 -7.791 1.00 31.14 N ATOM 0 H LYS A 540 5.756 -18.090 -13.324 1.00 55.12 H new ATOM 0 HA LYS A 540 7.995 -19.688 -14.140 1.00 43.52 H new ATOM 0 HB2 LYS A 540 7.648 -21.546 -12.624 1.00 20.23 H new ATOM 0 HB3 LYS A 540 8.192 -20.110 -11.779 1.00 20.23 H new ATOM 0 HG2 LYS A 540 5.786 -19.679 -11.125 1.00 11.25 H new ATOM 0 HG3 LYS A 540 5.376 -21.233 -11.822 1.00 11.25 H new ATOM 0 HD2 LYS A 540 7.027 -22.332 -10.321 1.00 44.21 H new ATOM 0 HD3 LYS A 540 7.412 -20.775 -9.615 1.00 44.21 H new ATOM 0 HE2 LYS A 540 4.937 -20.559 -9.016 1.00 45.24 H new ATOM 0 HE3 LYS A 540 4.753 -22.233 -9.503 1.00 45.24 H new ATOM 0 HZ1 LYS A 540 5.153 -22.305 -7.230 1.00 31.14 H new ATOM 0 HZ2 LYS A 540 6.656 -22.701 -7.913 1.00 31.14 H new ATOM 0 HZ3 LYS A 540 6.389 -21.142 -7.297 1.00 31.14 H new ATOM 621 N THR A 541 6.435 -21.034 -15.441 1.00 34.53 N ATOM 622 CA THR A 541 5.560 -21.717 -16.342 1.00 54.33 C ATOM 623 C THR A 541 5.095 -23.042 -15.734 1.00 12.33 C ATOM 624 O THR A 541 5.910 -23.906 -15.390 1.00 33.23 O ATOM 625 CB THR A 541 6.275 -21.958 -17.679 1.00 20.34 C ATOM 626 OG1 THR A 541 7.579 -22.491 -17.420 1.00 23.54 O ATOM 627 CG2 THR A 541 6.416 -20.666 -18.466 1.00 11.22 C ATOM 0 H THR A 541 7.425 -21.147 -15.661 1.00 34.53 H new ATOM 0 HA THR A 541 4.681 -21.098 -16.520 1.00 54.33 H new ATOM 0 HB THR A 541 5.682 -22.658 -18.268 1.00 20.34 H new ATOM 0 HG1 THR A 541 7.548 -23.059 -16.622 1.00 23.54 H new ATOM 0 HG21 THR A 541 6.926 -20.868 -19.408 1.00 11.22 H new ATOM 0 HG22 THR A 541 5.428 -20.254 -18.669 1.00 11.22 H new ATOM 0 HG23 THR A 541 6.996 -19.948 -17.886 1.00 11.22 H new ATOM 635 N ILE A 542 3.814 -23.175 -15.594 1.00 11.31 N ATOM 636 CA ILE A 542 3.199 -24.339 -15.012 1.00 43.42 C ATOM 637 C ILE A 542 2.788 -25.250 -16.146 1.00 71.22 C ATOM 638 O ILE A 542 2.018 -24.832 -17.022 1.00 3.54 O ATOM 639 CB ILE A 542 1.914 -23.962 -14.227 1.00 32.31 C ATOM 640 CG1 ILE A 542 2.163 -22.792 -13.255 1.00 54.32 C ATOM 641 CG2 ILE A 542 1.379 -25.177 -13.474 1.00 54.33 C ATOM 642 CD1 ILE A 542 3.170 -23.080 -12.169 1.00 0.14 C ATOM 0 H ILE A 542 3.145 -22.463 -15.887 1.00 11.31 H new ATOM 0 HA ILE A 542 3.906 -24.811 -14.330 1.00 43.42 H new ATOM 0 HB ILE A 542 1.167 -23.635 -14.950 1.00 32.31 H new ATOM 0 HG12 ILE A 542 2.502 -21.928 -13.827 1.00 54.32 H new ATOM 0 HG13 ILE A 542 1.217 -22.515 -12.790 1.00 54.32 H new ATOM 0 HG21 ILE A 542 0.478 -24.899 -12.928 1.00 54.33 H new ATOM 0 HG22 ILE A 542 1.143 -25.970 -14.184 1.00 54.33 H new ATOM 0 HG23 ILE A 542 2.134 -25.531 -12.772 1.00 54.33 H new ATOM 0 HD11 ILE A 542 3.281 -22.201 -11.533 1.00 0.14 H new ATOM 0 HD12 ILE A 542 2.826 -23.922 -11.568 1.00 0.14 H new ATOM 0 HD13 ILE A 542 4.131 -23.325 -12.620 1.00 0.14 H new ATOM 654 N GLU A 543 3.286 -26.455 -16.147 1.00 52.21 N ATOM 655 CA GLU A 543 2.970 -27.404 -17.187 1.00 65.31 C ATOM 656 C GLU A 543 1.555 -27.927 -16.991 1.00 15.13 C ATOM 657 O GLU A 543 1.202 -28.405 -15.901 1.00 1.11 O ATOM 658 CB GLU A 543 3.936 -28.582 -17.155 1.00 23.35 C ATOM 659 CG GLU A 543 5.404 -28.225 -17.270 1.00 24.14 C ATOM 660 CD GLU A 543 6.268 -29.446 -17.147 1.00 31.04 C ATOM 661 OE1 GLU A 543 6.292 -30.053 -16.057 1.00 32.22 O ATOM 662 OE2 GLU A 543 6.949 -29.829 -18.131 1.00 74.42 O ATOM 0 H GLU A 543 3.920 -26.810 -15.431 1.00 52.21 H new ATOM 0 HA GLU A 543 3.055 -26.897 -18.148 1.00 65.31 H new ATOM 0 HB2 GLU A 543 3.785 -29.128 -16.224 1.00 23.35 H new ATOM 0 HB3 GLU A 543 3.680 -29.261 -17.968 1.00 23.35 H new ATOM 0 HG2 GLU A 543 5.589 -27.739 -18.228 1.00 24.14 H new ATOM 0 HG3 GLU A 543 5.669 -27.508 -16.493 1.00 24.14 H new ATOM 669 N GLY A 544 0.751 -27.805 -18.006 1.00 43.01 N ATOM 670 CA GLY A 544 -0.576 -28.352 -17.962 1.00 43.04 C ATOM 671 C GLY A 544 -0.602 -29.615 -18.765 1.00 24.41 C ATOM 672 O GLY A 544 0.021 -30.613 -18.388 1.00 20.44 O ATOM 0 H GLY A 544 0.990 -27.331 -18.877 1.00 43.01 H new ATOM 0 HA2 GLY A 544 -0.867 -28.554 -16.931 1.00 43.04 H new ATOM 0 HA3 GLY A 544 -1.293 -27.635 -18.362 1.00 43.04 H new ATOM 676 N THR A 545 -1.252 -29.563 -19.896 1.00 33.33 N ATOM 677 CA THR A 545 -1.267 -30.671 -20.818 1.00 52.22 C ATOM 678 C THR A 545 -0.079 -30.549 -21.791 1.00 21.03 C ATOM 679 O THR A 545 0.186 -31.424 -22.616 1.00 72.03 O ATOM 680 CB THR A 545 -2.619 -30.742 -21.567 1.00 35.03 C ATOM 681 OG1 THR A 545 -3.023 -29.415 -21.992 1.00 71.34 O ATOM 682 CG2 THR A 545 -3.701 -31.339 -20.676 1.00 42.32 C ATOM 0 H THR A 545 -1.787 -28.752 -20.206 1.00 33.33 H new ATOM 0 HA THR A 545 -1.160 -31.604 -20.264 1.00 52.22 H new ATOM 0 HB THR A 545 -2.490 -31.382 -22.440 1.00 35.03 H new ATOM 0 HG1 THR A 545 -3.879 -29.470 -22.467 1.00 71.34 H new ATOM 0 HG21 THR A 545 -4.642 -31.379 -21.224 1.00 42.32 H new ATOM 0 HG22 THR A 545 -3.412 -32.347 -20.378 1.00 42.32 H new ATOM 0 HG23 THR A 545 -3.824 -30.719 -19.788 1.00 42.32 H new ATOM 690 N ALA A 546 0.619 -29.434 -21.676 1.00 51.11 N ATOM 691 CA ALA A 546 1.805 -29.163 -22.442 1.00 4.44 C ATOM 692 C ALA A 546 3.010 -29.335 -21.537 1.00 71.10 C ATOM 693 O ALA A 546 2.957 -28.954 -20.364 1.00 51.42 O ATOM 694 CB ALA A 546 1.757 -27.747 -22.996 1.00 73.13 C ATOM 0 H ALA A 546 0.367 -28.683 -21.034 1.00 51.11 H new ATOM 0 HA ALA A 546 1.873 -29.854 -23.282 1.00 4.44 H new ATOM 0 HB1 ALA A 546 2.660 -27.552 -23.575 1.00 73.13 H new ATOM 0 HB2 ALA A 546 0.883 -27.637 -23.639 1.00 73.13 H new ATOM 0 HB3 ALA A 546 1.693 -27.036 -22.172 1.00 73.13 H new ATOM 700 N ARG A 547 4.068 -29.905 -22.054 1.00 44.13 N ATOM 701 CA ARG A 547 5.268 -30.138 -21.274 1.00 63.20 C ATOM 702 C ARG A 547 6.364 -29.178 -21.648 1.00 5.03 C ATOM 703 O ARG A 547 6.473 -28.744 -22.820 1.00 54.14 O ATOM 704 CB ARG A 547 5.785 -31.592 -21.365 1.00 53.41 C ATOM 705 CG ARG A 547 4.972 -32.616 -20.569 1.00 63.14 C ATOM 706 CD ARG A 547 3.611 -32.916 -21.174 1.00 64.11 C ATOM 707 NE ARG A 547 3.725 -33.631 -22.449 1.00 32.11 N ATOM 708 CZ ARG A 547 3.294 -34.878 -22.671 1.00 2.13 C ATOM 709 NH1 ARG A 547 2.707 -35.570 -21.699 1.00 20.32 N ATOM 710 NH2 ARG A 547 3.444 -35.428 -23.870 1.00 43.01 N ATOM 0 H ARG A 547 4.128 -30.221 -23.022 1.00 44.13 H new ATOM 0 HA ARG A 547 4.979 -29.964 -20.237 1.00 63.20 H new ATOM 0 HB2 ARG A 547 5.796 -31.893 -22.412 1.00 53.41 H new ATOM 0 HB3 ARG A 547 6.817 -31.618 -21.015 1.00 53.41 H new ATOM 0 HG2 ARG A 547 5.541 -33.543 -20.498 1.00 63.14 H new ATOM 0 HG3 ARG A 547 4.835 -32.247 -19.552 1.00 63.14 H new ATOM 0 HD2 ARG A 547 3.026 -33.513 -20.474 1.00 64.11 H new ATOM 0 HD3 ARG A 547 3.069 -31.983 -21.328 1.00 64.11 H new ATOM 0 HE ARG A 547 4.167 -33.140 -23.226 1.00 32.11 H new ATOM 0 HH11 ARG A 547 2.583 -35.151 -20.778 1.00 20.32 H new ATOM 0 HH12 ARG A 547 2.381 -36.520 -21.875 1.00 20.32 H new ATOM 0 HH21 ARG A 547 3.888 -34.900 -24.621 1.00 43.01 H new ATOM 0 HH22 ARG A 547 3.116 -36.379 -24.040 1.00 43.01 H new ATOM 724 N GLY A 548 7.168 -28.838 -20.667 1.00 72.11 N ATOM 725 CA GLY A 548 8.269 -27.952 -20.872 1.00 22.25 C ATOM 726 C GLY A 548 9.480 -28.697 -21.359 1.00 35.53 C ATOM 727 O GLY A 548 9.357 -29.668 -22.107 1.00 70.44 O ATOM 0 H GLY A 548 7.070 -29.173 -19.708 1.00 72.11 H new ATOM 0 HA2 GLY A 548 7.993 -27.186 -21.597 1.00 22.25 H new ATOM 0 HA3 GLY A 548 8.505 -27.438 -19.940 1.00 22.25 H new ATOM 731 N GLY A 549 10.651 -28.232 -20.983 1.00 54.33 N ATOM 732 CA GLY A 549 11.890 -28.880 -21.374 1.00 21.25 C ATOM 733 C GLY A 549 12.225 -28.687 -22.844 1.00 50.23 C ATOM 734 O GLY A 549 13.273 -29.131 -23.318 1.00 22.53 O ATOM 0 H GLY A 549 10.774 -27.402 -20.403 1.00 54.33 H new ATOM 0 HA2 GLY A 549 12.706 -28.487 -20.767 1.00 21.25 H new ATOM 0 HA3 GLY A 549 11.818 -29.947 -21.161 1.00 21.25 H new ATOM 738 N GLY A 550 11.351 -28.016 -23.557 1.00 13.31 N ATOM 739 CA GLY A 550 11.536 -27.817 -24.956 1.00 21.42 C ATOM 740 C GLY A 550 10.579 -28.659 -25.766 1.00 14.35 C ATOM 741 O GLY A 550 10.556 -28.562 -26.984 1.00 34.41 O ATOM 0 H GLY A 550 10.501 -27.599 -23.177 1.00 13.31 H new ATOM 0 HA2 GLY A 550 11.390 -26.764 -25.197 1.00 21.42 H new ATOM 0 HA3 GLY A 550 12.562 -28.067 -25.228 1.00 21.42 H new ATOM 745 N GLU A 551 9.792 -29.491 -25.077 1.00 23.24 N ATOM 746 CA GLU A 551 8.802 -30.358 -25.721 1.00 22.12 C ATOM 747 C GLU A 551 7.723 -29.541 -26.444 1.00 10.42 C ATOM 748 O GLU A 551 7.773 -29.360 -27.672 1.00 71.53 O ATOM 749 CB GLU A 551 8.158 -31.318 -24.705 1.00 42.20 C ATOM 750 CG GLU A 551 8.929 -32.610 -24.406 1.00 50.10 C ATOM 751 CD GLU A 551 10.352 -32.428 -23.929 1.00 1.55 C ATOM 752 OE1 GLU A 551 11.261 -32.234 -24.776 1.00 24.03 O ATOM 753 OE2 GLU A 551 10.607 -32.549 -22.712 1.00 72.41 O ATOM 0 H GLU A 551 9.823 -29.582 -24.062 1.00 23.24 H new ATOM 0 HA GLU A 551 9.331 -30.952 -26.467 1.00 22.12 H new ATOM 0 HB2 GLU A 551 8.017 -30.780 -23.768 1.00 42.20 H new ATOM 0 HB3 GLU A 551 7.167 -31.588 -25.070 1.00 42.20 H new ATOM 0 HG2 GLU A 551 8.381 -33.172 -23.650 1.00 50.10 H new ATOM 0 HG3 GLU A 551 8.943 -33.220 -25.309 1.00 50.10 H new ATOM 760 N ASP A 552 6.762 -29.042 -25.696 1.00 31.15 N ATOM 761 CA ASP A 552 5.726 -28.199 -26.275 1.00 23.23 C ATOM 762 C ASP A 552 6.227 -26.791 -26.265 1.00 12.10 C ATOM 763 O ASP A 552 6.172 -26.075 -27.272 1.00 1.12 O ATOM 764 CB ASP A 552 4.399 -28.256 -25.491 1.00 21.40 C ATOM 765 CG ASP A 552 3.682 -29.585 -25.550 1.00 13.35 C ATOM 766 OD1 ASP A 552 3.933 -30.443 -24.683 1.00 34.00 O ATOM 767 OD2 ASP A 552 2.827 -29.788 -26.433 1.00 4.41 O ATOM 0 H ASP A 552 6.672 -29.201 -24.692 1.00 31.15 H new ATOM 0 HA ASP A 552 5.520 -28.559 -27.283 1.00 23.23 H new ATOM 0 HB2 ASP A 552 4.600 -28.014 -24.447 1.00 21.40 H new ATOM 0 HB3 ASP A 552 3.733 -27.483 -25.875 1.00 21.40 H new ATOM 772 N PHE A 553 6.773 -26.415 -25.135 1.00 55.51 N ATOM 773 CA PHE A 553 7.269 -25.088 -24.927 1.00 64.55 C ATOM 774 C PHE A 553 8.570 -25.144 -24.162 1.00 62.51 C ATOM 775 O PHE A 553 8.937 -26.185 -23.597 1.00 0.41 O ATOM 776 CB PHE A 553 6.237 -24.230 -24.155 1.00 2.11 C ATOM 777 CG PHE A 553 5.925 -24.716 -22.746 1.00 52.34 C ATOM 778 CD1 PHE A 553 5.029 -25.746 -22.535 1.00 31.44 C ATOM 779 CD2 PHE A 553 6.524 -24.126 -21.643 1.00 60.11 C ATOM 780 CE1 PHE A 553 4.739 -26.183 -21.257 1.00 14.51 C ATOM 781 CE2 PHE A 553 6.238 -24.561 -20.363 1.00 53.04 C ATOM 782 CZ PHE A 553 5.342 -25.592 -20.170 1.00 54.02 C ATOM 0 H PHE A 553 6.884 -27.031 -24.330 1.00 55.51 H new ATOM 0 HA PHE A 553 7.440 -24.625 -25.899 1.00 64.55 H new ATOM 0 HB2 PHE A 553 6.608 -23.207 -24.097 1.00 2.11 H new ATOM 0 HB3 PHE A 553 5.310 -24.201 -24.727 1.00 2.11 H new ATOM 0 HD1 PHE A 553 4.549 -26.216 -23.381 1.00 31.44 H new ATOM 0 HD2 PHE A 553 7.223 -23.316 -21.786 1.00 60.11 H new ATOM 0 HE1 PHE A 553 4.037 -26.991 -21.110 1.00 14.51 H new ATOM 0 HE2 PHE A 553 6.716 -24.094 -19.514 1.00 53.04 H new ATOM 0 HZ PHE A 553 5.115 -25.934 -19.171 1.00 54.02 H new ATOM 792 N GLU A 554 9.259 -24.051 -24.157 1.00 11.33 N ATOM 793 CA GLU A 554 10.471 -23.905 -23.417 1.00 31.12 C ATOM 794 C GLU A 554 10.062 -23.242 -22.098 1.00 20.15 C ATOM 795 O GLU A 554 9.531 -22.128 -22.100 1.00 32.41 O ATOM 796 CB GLU A 554 11.408 -23.005 -24.232 1.00 2.43 C ATOM 797 CG GLU A 554 12.898 -23.093 -23.927 1.00 52.45 C ATOM 798 CD GLU A 554 13.263 -22.670 -22.544 1.00 72.01 C ATOM 799 OE1 GLU A 554 13.249 -21.458 -22.260 1.00 61.24 O ATOM 800 OE2 GLU A 554 13.601 -23.530 -21.736 1.00 13.00 O ATOM 0 H GLU A 554 8.990 -23.216 -24.678 1.00 11.33 H new ATOM 0 HA GLU A 554 10.988 -24.845 -23.224 1.00 31.12 H new ATOM 0 HB2 GLU A 554 11.265 -23.237 -25.287 1.00 2.43 H new ATOM 0 HB3 GLU A 554 11.094 -21.971 -24.087 1.00 2.43 H new ATOM 0 HG2 GLU A 554 13.229 -24.120 -24.081 1.00 52.45 H new ATOM 0 HG3 GLU A 554 13.441 -22.473 -24.640 1.00 52.45 H new ATOM 807 N ASP A 555 10.250 -23.932 -21.006 1.00 22.33 N ATOM 808 CA ASP A 555 9.817 -23.441 -19.703 1.00 2.43 C ATOM 809 C ASP A 555 10.805 -22.448 -19.126 1.00 23.35 C ATOM 810 O ASP A 555 12.018 -22.689 -19.091 1.00 64.01 O ATOM 811 CB ASP A 555 9.553 -24.596 -18.722 1.00 41.33 C ATOM 812 CG ASP A 555 10.762 -25.440 -18.456 1.00 11.22 C ATOM 813 OD1 ASP A 555 11.183 -26.183 -19.361 1.00 22.10 O ATOM 814 OD2 ASP A 555 11.316 -25.392 -17.347 1.00 73.15 O ATOM 0 H ASP A 555 10.703 -24.845 -20.982 1.00 22.33 H new ATOM 0 HA ASP A 555 8.874 -22.917 -19.855 1.00 2.43 H new ATOM 0 HB2 ASP A 555 9.191 -24.186 -17.779 1.00 41.33 H new ATOM 0 HB3 ASP A 555 8.759 -25.227 -19.121 1.00 41.33 H new ATOM 819 N THR A 556 10.288 -21.350 -18.662 1.00 54.50 N ATOM 820 CA THR A 556 11.086 -20.271 -18.154 1.00 4.14 C ATOM 821 C THR A 556 10.594 -19.874 -16.761 1.00 63.13 C ATOM 822 O THR A 556 9.393 -20.021 -16.446 1.00 74.13 O ATOM 823 CB THR A 556 11.102 -19.050 -19.160 1.00 74.21 C ATOM 824 OG1 THR A 556 11.814 -17.927 -18.628 1.00 45.52 O ATOM 825 CG2 THR A 556 9.700 -18.615 -19.572 1.00 64.20 C ATOM 0 H THR A 556 9.284 -21.174 -18.625 1.00 54.50 H new ATOM 0 HA THR A 556 12.120 -20.604 -18.060 1.00 4.14 H new ATOM 0 HB THR A 556 11.623 -19.409 -20.048 1.00 74.21 H new ATOM 0 HG1 THR A 556 11.183 -17.204 -18.430 1.00 45.52 H new ATOM 0 HG21 THR A 556 9.768 -17.774 -20.262 1.00 64.20 H new ATOM 0 HG22 THR A 556 9.190 -19.445 -20.060 1.00 64.20 H new ATOM 0 HG23 THR A 556 9.138 -18.314 -18.688 1.00 64.20 H new ATOM 833 N CYS A 557 11.507 -19.418 -15.919 1.00 53.30 N ATOM 834 CA CYS A 557 11.180 -19.052 -14.566 1.00 34.35 C ATOM 835 C CYS A 557 12.080 -17.920 -14.060 1.00 51.14 C ATOM 836 O CYS A 557 13.277 -17.879 -14.362 1.00 12.44 O ATOM 837 CB CYS A 557 11.264 -20.284 -13.652 1.00 31.23 C ATOM 838 SG CYS A 557 12.840 -21.170 -13.742 1.00 11.44 S ATOM 0 H CYS A 557 12.490 -19.294 -16.161 1.00 53.30 H new ATOM 0 HA CYS A 557 10.156 -18.678 -14.548 1.00 34.35 H new ATOM 0 HB2 CYS A 557 11.095 -19.970 -12.622 1.00 31.23 H new ATOM 0 HB3 CYS A 557 10.459 -20.971 -13.912 1.00 31.23 H new ATOM 0 HG CYS A 557 12.812 -22.189 -12.935 1.00 11.44 H new ATOM 844 N GLY A 558 11.484 -17.000 -13.329 1.00 41.20 N ATOM 845 CA GLY A 558 12.216 -15.889 -12.740 1.00 70.45 C ATOM 846 C GLY A 558 12.469 -14.797 -13.746 1.00 13.42 C ATOM 847 O GLY A 558 11.535 -14.273 -14.313 1.00 51.31 O ATOM 0 H GLY A 558 10.485 -16.998 -13.125 1.00 41.20 H new ATOM 0 HA2 GLY A 558 11.652 -15.486 -11.899 1.00 70.45 H new ATOM 0 HA3 GLY A 558 13.166 -16.247 -12.344 1.00 70.45 H new ATOM 851 N GLU A 559 13.729 -14.436 -13.898 1.00 1.31 N ATOM 852 CA GLU A 559 14.250 -13.503 -14.920 1.00 63.32 C ATOM 853 C GLU A 559 13.701 -12.062 -14.969 1.00 13.34 C ATOM 854 O GLU A 559 14.238 -11.241 -15.717 1.00 74.51 O ATOM 855 CB GLU A 559 14.255 -14.138 -16.310 1.00 73.05 C ATOM 856 CG GLU A 559 15.309 -15.213 -16.464 1.00 55.41 C ATOM 857 CD GLU A 559 16.691 -14.667 -16.189 1.00 72.52 C ATOM 858 OE1 GLU A 559 17.250 -13.967 -17.056 1.00 2.34 O ATOM 859 OE2 GLU A 559 17.233 -14.899 -15.087 1.00 23.12 O ATOM 0 H GLU A 559 14.465 -14.794 -13.290 1.00 1.31 H new ATOM 0 HA GLU A 559 15.266 -13.341 -14.560 1.00 63.32 H new ATOM 0 HB2 GLU A 559 13.274 -14.567 -16.511 1.00 73.05 H new ATOM 0 HB3 GLU A 559 14.423 -13.362 -17.057 1.00 73.05 H new ATOM 0 HG2 GLU A 559 15.097 -16.035 -15.780 1.00 55.41 H new ATOM 0 HG3 GLU A 559 15.271 -15.621 -17.474 1.00 55.41 H new ATOM 866 N LEU A 560 12.706 -11.714 -14.196 1.00 22.23 N ATOM 867 CA LEU A 560 12.192 -10.364 -14.297 1.00 70.01 C ATOM 868 C LEU A 560 12.799 -9.448 -13.281 1.00 52.11 C ATOM 869 O LEU A 560 12.923 -9.789 -12.096 1.00 14.44 O ATOM 870 CB LEU A 560 10.676 -10.279 -14.236 1.00 73.41 C ATOM 871 CG LEU A 560 9.903 -10.977 -15.351 1.00 61.00 C ATOM 872 CD1 LEU A 560 8.420 -10.688 -15.220 1.00 15.33 C ATOM 873 CD2 LEU A 560 10.413 -10.558 -16.726 1.00 74.31 C ATOM 0 H LEU A 560 12.246 -12.316 -13.513 1.00 22.23 H new ATOM 0 HA LEU A 560 12.491 -10.031 -15.291 1.00 70.01 H new ATOM 0 HB2 LEU A 560 10.350 -10.697 -13.283 1.00 73.41 H new ATOM 0 HB3 LEU A 560 10.394 -9.226 -14.235 1.00 73.41 H new ATOM 0 HG LEU A 560 10.062 -12.051 -15.253 1.00 61.00 H new ATOM 0 HD11 LEU A 560 7.879 -11.191 -16.021 1.00 15.33 H new ATOM 0 HD12 LEU A 560 8.062 -11.051 -14.257 1.00 15.33 H new ATOM 0 HD13 LEU A 560 8.251 -9.613 -15.288 1.00 15.33 H new ATOM 0 HD21 LEU A 560 9.842 -11.073 -17.498 1.00 74.31 H new ATOM 0 HD22 LEU A 560 10.295 -9.481 -16.845 1.00 74.31 H new ATOM 0 HD23 LEU A 560 11.467 -10.820 -16.819 1.00 74.31 H new ATOM 885 N GLU A 561 13.195 -8.305 -13.752 1.00 23.41 N ATOM 886 CA GLU A 561 13.757 -7.279 -12.935 1.00 63.54 C ATOM 887 C GLU A 561 13.104 -5.962 -13.322 1.00 75.54 C ATOM 888 O GLU A 561 13.328 -5.444 -14.416 1.00 62.31 O ATOM 889 CB GLU A 561 15.265 -7.203 -13.147 1.00 3.32 C ATOM 890 CG GLU A 561 15.962 -6.253 -12.204 1.00 31.21 C ATOM 891 CD GLU A 561 17.427 -6.126 -12.479 1.00 73.32 C ATOM 892 OE1 GLU A 561 18.165 -7.110 -12.333 1.00 5.44 O ATOM 893 OE2 GLU A 561 17.866 -5.036 -12.853 1.00 51.44 O ATOM 0 H GLU A 561 13.134 -8.056 -14.739 1.00 23.41 H new ATOM 0 HA GLU A 561 13.576 -7.494 -11.882 1.00 63.54 H new ATOM 0 HB2 GLU A 561 15.691 -8.199 -13.026 1.00 3.32 H new ATOM 0 HB3 GLU A 561 15.464 -6.894 -14.173 1.00 3.32 H new ATOM 0 HG2 GLU A 561 15.497 -5.270 -12.279 1.00 31.21 H new ATOM 0 HG3 GLU A 561 15.819 -6.596 -11.179 1.00 31.21 H new ATOM 900 N PHE A 562 12.282 -5.456 -12.459 1.00 52.02 N ATOM 901 CA PHE A 562 11.551 -4.238 -12.709 1.00 33.32 C ATOM 902 C PHE A 562 12.164 -3.089 -11.956 1.00 11.01 C ATOM 903 O PHE A 562 12.404 -3.206 -10.775 1.00 63.45 O ATOM 904 CB PHE A 562 10.106 -4.398 -12.260 1.00 42.34 C ATOM 905 CG PHE A 562 9.257 -5.265 -13.125 1.00 24.41 C ATOM 906 CD1 PHE A 562 9.227 -6.629 -12.948 1.00 34.04 C ATOM 907 CD2 PHE A 562 8.464 -4.700 -14.103 1.00 42.51 C ATOM 908 CE1 PHE A 562 8.424 -7.416 -13.734 1.00 43.04 C ATOM 909 CE2 PHE A 562 7.661 -5.477 -14.893 1.00 45.30 C ATOM 910 CZ PHE A 562 7.640 -6.841 -14.708 1.00 12.34 C ATOM 0 H PHE A 562 12.092 -5.875 -11.549 1.00 52.02 H new ATOM 0 HA PHE A 562 11.590 -4.033 -13.779 1.00 33.32 H new ATOM 0 HB2 PHE A 562 10.101 -4.807 -11.250 1.00 42.34 H new ATOM 0 HB3 PHE A 562 9.649 -3.410 -12.206 1.00 42.34 H new ATOM 0 HD1 PHE A 562 9.840 -7.084 -12.184 1.00 34.04 H new ATOM 0 HD2 PHE A 562 8.477 -3.630 -14.247 1.00 42.51 H new ATOM 0 HE1 PHE A 562 8.407 -8.486 -13.589 1.00 43.04 H new ATOM 0 HE2 PHE A 562 7.047 -5.023 -15.657 1.00 45.30 H new ATOM 0 HZ PHE A 562 7.008 -7.460 -15.327 1.00 12.34 H new ATOM 920 N GLN A 563 12.446 -1.987 -12.618 1.00 25.33 N ATOM 921 CA GLN A 563 12.947 -0.839 -11.879 1.00 74.35 C ATOM 922 C GLN A 563 11.816 0.138 -11.533 1.00 34.34 C ATOM 923 O GLN A 563 10.934 -0.188 -10.715 1.00 73.44 O ATOM 924 CB GLN A 563 14.147 -0.099 -12.529 1.00 0.44 C ATOM 925 CG GLN A 563 15.446 -0.901 -12.714 1.00 31.54 C ATOM 926 CD GLN A 563 15.391 -1.933 -13.827 1.00 34.21 C ATOM 927 OE1 GLN A 563 15.673 -1.623 -14.990 1.00 52.34 O ATOM 928 NE2 GLN A 563 15.101 -3.152 -13.483 1.00 21.44 N ATOM 0 H GLN A 563 12.344 -1.858 -13.625 1.00 25.33 H new ATOM 0 HA GLN A 563 13.352 -1.264 -10.960 1.00 74.35 H new ATOM 0 HB2 GLN A 563 13.831 0.264 -13.507 1.00 0.44 H new ATOM 0 HB3 GLN A 563 14.374 0.777 -11.922 1.00 0.44 H new ATOM 0 HG2 GLN A 563 16.262 -0.207 -12.918 1.00 31.54 H new ATOM 0 HG3 GLN A 563 15.684 -1.406 -11.778 1.00 31.54 H new ATOM 0 HE21 GLN A 563 14.874 -3.368 -12.512 1.00 21.44 H new ATOM 0 HE22 GLN A 563 15.101 -3.893 -14.184 1.00 21.44 H new ATOM 937 N ASN A 564 11.780 1.274 -12.212 1.00 63.14 N ATOM 938 CA ASN A 564 10.786 2.317 -11.943 1.00 54.21 C ATOM 939 C ASN A 564 9.464 1.936 -12.571 1.00 64.55 C ATOM 940 O ASN A 564 9.445 1.219 -13.559 1.00 54.01 O ATOM 941 CB ASN A 564 11.249 3.637 -12.526 1.00 10.04 C ATOM 942 CG ASN A 564 10.382 4.813 -12.131 1.00 13.44 C ATOM 943 OD1 ASN A 564 9.427 5.157 -12.825 1.00 33.05 O ATOM 944 ND2 ASN A 564 10.708 5.443 -11.038 1.00 24.51 N ATOM 0 H ASN A 564 12.432 1.504 -12.962 1.00 63.14 H new ATOM 0 HA ASN A 564 10.666 2.418 -10.864 1.00 54.21 H new ATOM 0 HB2 ASN A 564 12.273 3.827 -12.204 1.00 10.04 H new ATOM 0 HB3 ASN A 564 11.266 3.558 -13.613 1.00 10.04 H new ATOM 0 HD21 ASN A 564 10.164 6.250 -10.733 1.00 24.51 H new ATOM 0 HD22 ASN A 564 11.507 5.129 -10.487 1.00 24.51 H new ATOM 951 N ASP A 565 8.389 2.469 -12.040 1.00 41.31 N ATOM 952 CA ASP A 565 7.013 2.132 -12.430 1.00 54.41 C ATOM 953 C ASP A 565 6.679 2.425 -13.888 1.00 74.23 C ATOM 954 O ASP A 565 5.801 1.768 -14.463 1.00 0.52 O ATOM 955 CB ASP A 565 6.017 2.843 -11.514 1.00 3.14 C ATOM 956 CG ASP A 565 6.141 4.352 -11.541 1.00 43.34 C ATOM 957 OD1 ASP A 565 7.053 4.877 -10.889 1.00 41.22 O ATOM 958 OD2 ASP A 565 5.318 5.034 -12.183 1.00 1.21 O ATOM 0 H ASP A 565 8.434 3.171 -11.302 1.00 41.31 H new ATOM 0 HA ASP A 565 6.933 1.051 -12.318 1.00 54.41 H new ATOM 0 HB2 ASP A 565 5.004 2.564 -11.806 1.00 3.14 H new ATOM 0 HB3 ASP A 565 6.162 2.493 -10.492 1.00 3.14 H new ATOM 963 N GLU A 566 7.366 3.369 -14.499 1.00 1.34 N ATOM 964 CA GLU A 566 7.068 3.712 -15.882 1.00 51.55 C ATOM 965 C GLU A 566 7.593 2.677 -16.886 1.00 51.35 C ATOM 966 O GLU A 566 7.174 2.664 -18.048 1.00 32.53 O ATOM 967 CB GLU A 566 7.522 5.130 -16.244 1.00 61.53 C ATOM 968 CG GLU A 566 9.004 5.406 -16.095 1.00 13.50 C ATOM 969 CD GLU A 566 9.345 6.810 -16.516 1.00 41.51 C ATOM 970 OE1 GLU A 566 9.450 7.065 -17.722 1.00 24.41 O ATOM 971 OE2 GLU A 566 9.486 7.700 -15.654 1.00 54.24 O ATOM 0 H GLU A 566 8.121 3.906 -14.073 1.00 1.34 H new ATOM 0 HA GLU A 566 5.981 3.692 -15.959 1.00 51.55 H new ATOM 0 HB2 GLU A 566 7.236 5.330 -17.277 1.00 61.53 H new ATOM 0 HB3 GLU A 566 6.975 5.837 -15.620 1.00 61.53 H new ATOM 0 HG2 GLU A 566 9.302 5.253 -15.058 1.00 13.50 H new ATOM 0 HG3 GLU A 566 9.570 4.696 -16.697 1.00 13.50 H new ATOM 978 N ILE A 567 8.489 1.808 -16.458 1.00 74.04 N ATOM 979 CA ILE A 567 8.990 0.784 -17.363 1.00 24.52 C ATOM 980 C ILE A 567 8.343 -0.557 -17.048 1.00 52.14 C ATOM 981 O ILE A 567 7.872 -0.790 -15.910 1.00 64.01 O ATOM 982 CB ILE A 567 10.536 0.659 -17.374 1.00 73.51 C ATOM 983 CG1 ILE A 567 11.068 0.209 -16.013 1.00 55.04 C ATOM 984 CG2 ILE A 567 11.173 1.977 -17.800 1.00 23.24 C ATOM 985 CD1 ILE A 567 12.564 0.016 -15.974 1.00 73.42 C ATOM 0 H ILE A 567 8.878 1.786 -15.515 1.00 74.04 H new ATOM 0 HA ILE A 567 8.712 1.100 -18.368 1.00 24.52 H new ATOM 0 HB ILE A 567 10.808 -0.107 -18.101 1.00 73.51 H new ATOM 0 HG12 ILE A 567 10.787 0.947 -15.262 1.00 55.04 H new ATOM 0 HG13 ILE A 567 10.583 -0.727 -15.736 1.00 55.04 H new ATOM 0 HG21 ILE A 567 12.258 1.873 -17.803 1.00 23.24 H new ATOM 0 HG22 ILE A 567 10.831 2.239 -18.801 1.00 23.24 H new ATOM 0 HG23 ILE A 567 10.886 2.763 -17.101 1.00 23.24 H new ATOM 0 HD11 ILE A 567 12.864 -0.303 -14.976 1.00 73.42 H new ATOM 0 HD12 ILE A 567 12.852 -0.745 -16.700 1.00 73.42 H new ATOM 0 HD13 ILE A 567 13.059 0.956 -16.218 1.00 73.42 H new ATOM 997 N VAL A 568 8.323 -1.429 -18.010 1.00 54.24 N ATOM 998 CA VAL A 568 7.655 -2.687 -17.881 1.00 63.15 C ATOM 999 C VAL A 568 8.515 -3.791 -18.504 1.00 43.00 C ATOM 1000 O VAL A 568 9.379 -3.525 -19.346 1.00 22.23 O ATOM 1001 CB VAL A 568 6.248 -2.613 -18.569 1.00 42.40 C ATOM 1002 CG1 VAL A 568 6.361 -2.410 -20.075 1.00 45.41 C ATOM 1003 CG2 VAL A 568 5.366 -3.812 -18.235 1.00 41.40 C ATOM 0 H VAL A 568 8.774 -1.286 -18.914 1.00 54.24 H new ATOM 0 HA VAL A 568 7.507 -2.919 -16.826 1.00 63.15 H new ATOM 0 HB VAL A 568 5.754 -1.734 -18.154 1.00 42.40 H new ATOM 0 HG11 VAL A 568 5.363 -2.364 -20.512 1.00 45.41 H new ATOM 0 HG12 VAL A 568 6.889 -1.478 -20.278 1.00 45.41 H new ATOM 0 HG13 VAL A 568 6.912 -3.242 -20.514 1.00 45.41 H new ATOM 0 HG21 VAL A 568 4.405 -3.708 -18.738 1.00 41.40 H new ATOM 0 HG22 VAL A 568 5.854 -4.727 -18.570 1.00 41.40 H new ATOM 0 HG23 VAL A 568 5.208 -3.859 -17.157 1.00 41.40 H new ATOM 1013 N LYS A 569 8.299 -5.000 -18.081 1.00 51.21 N ATOM 1014 CA LYS A 569 9.015 -6.125 -18.600 1.00 70.33 C ATOM 1015 C LYS A 569 8.104 -6.979 -19.412 1.00 34.45 C ATOM 1016 O LYS A 569 6.873 -6.880 -19.305 1.00 3.12 O ATOM 1017 CB LYS A 569 9.605 -6.972 -17.486 1.00 44.23 C ATOM 1018 CG LYS A 569 10.773 -6.375 -16.719 1.00 12.15 C ATOM 1019 CD LYS A 569 12.111 -6.575 -17.424 1.00 33.34 C ATOM 1020 CE LYS A 569 12.316 -5.694 -18.650 1.00 73.34 C ATOM 1021 NZ LYS A 569 13.694 -5.794 -19.171 1.00 40.11 N ATOM 0 H LYS A 569 7.616 -5.235 -17.361 1.00 51.21 H new ATOM 0 HA LYS A 569 9.826 -5.739 -19.218 1.00 70.33 H new ATOM 0 HB2 LYS A 569 8.811 -7.199 -16.774 1.00 44.23 H new ATOM 0 HB3 LYS A 569 9.929 -7.920 -17.915 1.00 44.23 H new ATOM 0 HG2 LYS A 569 10.600 -5.308 -16.575 1.00 12.15 H new ATOM 0 HG3 LYS A 569 10.819 -6.827 -15.728 1.00 12.15 H new ATOM 0 HD2 LYS A 569 12.914 -6.380 -16.714 1.00 33.34 H new ATOM 0 HD3 LYS A 569 12.197 -7.619 -17.724 1.00 33.34 H new ATOM 0 HE2 LYS A 569 11.611 -5.984 -19.429 1.00 73.34 H new ATOM 0 HE3 LYS A 569 12.098 -4.657 -18.393 1.00 73.34 H new ATOM 0 HZ1 LYS A 569 13.795 -5.181 -20.005 1.00 40.11 H new ATOM 0 HZ2 LYS A 569 14.366 -5.493 -18.436 1.00 40.11 H new ATOM 0 HZ3 LYS A 569 13.893 -6.779 -19.439 1.00 40.11 H new ATOM 1035 N ILE A 570 8.699 -7.822 -20.183 1.00 33.00 N ATOM 1036 CA ILE A 570 7.979 -8.741 -21.015 1.00 61.12 C ATOM 1037 C ILE A 570 8.508 -10.128 -20.771 1.00 42.24 C ATOM 1038 O ILE A 570 9.722 -10.340 -20.697 1.00 41.32 O ATOM 1039 CB ILE A 570 8.102 -8.410 -22.534 1.00 71.41 C ATOM 1040 CG1 ILE A 570 7.487 -7.049 -22.862 1.00 2.04 C ATOM 1041 CG2 ILE A 570 7.446 -9.496 -23.384 1.00 1.24 C ATOM 1042 CD1 ILE A 570 7.570 -6.687 -24.327 1.00 13.24 C ATOM 0 H ILE A 570 9.713 -7.899 -20.259 1.00 33.00 H new ATOM 0 HA ILE A 570 6.924 -8.663 -20.753 1.00 61.12 H new ATOM 0 HB ILE A 570 9.165 -8.371 -22.771 1.00 71.41 H new ATOM 0 HG12 ILE A 570 6.441 -7.048 -22.554 1.00 2.04 H new ATOM 0 HG13 ILE A 570 7.992 -6.280 -22.277 1.00 2.04 H new ATOM 0 HG21 ILE A 570 7.545 -9.242 -24.439 1.00 1.24 H new ATOM 0 HG22 ILE A 570 7.934 -10.452 -23.194 1.00 1.24 H new ATOM 0 HG23 ILE A 570 6.389 -9.571 -23.127 1.00 1.24 H new ATOM 0 HD11 ILE A 570 7.115 -5.710 -24.487 1.00 13.24 H new ATOM 0 HD12 ILE A 570 8.615 -6.655 -24.635 1.00 13.24 H new ATOM 0 HD13 ILE A 570 7.040 -7.435 -24.917 1.00 13.24 H new ATOM 1054 N ILE A 571 7.621 -11.042 -20.622 1.00 51.04 N ATOM 1055 CA ILE A 571 7.972 -12.403 -20.460 1.00 65.34 C ATOM 1056 C ILE A 571 8.024 -13.000 -21.837 1.00 34.03 C ATOM 1057 O ILE A 571 7.032 -12.969 -22.570 1.00 40.13 O ATOM 1058 CB ILE A 571 6.930 -13.149 -19.616 1.00 43.41 C ATOM 1059 CG1 ILE A 571 6.744 -12.407 -18.283 1.00 41.32 C ATOM 1060 CG2 ILE A 571 7.393 -14.591 -19.395 1.00 32.51 C ATOM 1061 CD1 ILE A 571 5.680 -12.978 -17.385 1.00 52.12 C ATOM 0 H ILE A 571 6.617 -10.863 -20.609 1.00 51.04 H new ATOM 0 HA ILE A 571 8.929 -12.487 -19.944 1.00 65.34 H new ATOM 0 HB ILE A 571 5.970 -13.179 -20.131 1.00 43.41 H new ATOM 0 HG12 ILE A 571 7.693 -12.410 -17.746 1.00 41.32 H new ATOM 0 HG13 ILE A 571 6.501 -11.366 -18.494 1.00 41.32 H new ATOM 0 HG21 ILE A 571 6.654 -15.123 -18.796 1.00 32.51 H new ATOM 0 HG22 ILE A 571 7.505 -15.089 -20.358 1.00 32.51 H new ATOM 0 HG23 ILE A 571 8.350 -14.590 -18.874 1.00 32.51 H new ATOM 0 HD11 ILE A 571 5.622 -12.389 -16.470 1.00 52.12 H new ATOM 0 HD12 ILE A 571 4.718 -12.949 -17.897 1.00 52.12 H new ATOM 0 HD13 ILE A 571 5.928 -14.010 -17.137 1.00 52.12 H new ATOM 1073 N THR A 572 9.168 -13.472 -22.197 1.00 21.54 N ATOM 1074 CA THR A 572 9.377 -14.013 -23.491 1.00 12.24 C ATOM 1075 C THR A 572 9.570 -15.508 -23.401 1.00 54.44 C ATOM 1076 O THR A 572 10.570 -15.991 -22.852 1.00 1.24 O ATOM 1077 CB THR A 572 10.590 -13.323 -24.151 1.00 51.31 C ATOM 1078 OG1 THR A 572 11.692 -13.234 -23.205 1.00 30.33 O ATOM 1079 CG2 THR A 572 10.213 -11.929 -24.611 1.00 2.32 C ATOM 0 H THR A 572 9.991 -13.492 -21.594 1.00 21.54 H new ATOM 0 HA THR A 572 8.501 -13.828 -24.113 1.00 12.24 H new ATOM 0 HB THR A 572 10.898 -13.917 -25.012 1.00 51.31 H new ATOM 0 HG1 THR A 572 11.771 -14.079 -22.715 1.00 30.33 H new ATOM 0 HG21 THR A 572 11.077 -11.453 -25.075 1.00 2.32 H new ATOM 0 HG22 THR A 572 9.401 -11.992 -25.335 1.00 2.32 H new ATOM 0 HG23 THR A 572 9.890 -11.338 -23.754 1.00 2.32 H new ATOM 1087 N ILE A 573 8.615 -16.232 -23.912 1.00 1.23 N ATOM 1088 CA ILE A 573 8.646 -17.672 -23.856 1.00 11.32 C ATOM 1089 C ILE A 573 8.860 -18.228 -25.245 1.00 2.33 C ATOM 1090 O ILE A 573 8.207 -17.788 -26.206 1.00 31.23 O ATOM 1091 CB ILE A 573 7.321 -18.251 -23.274 1.00 34.34 C ATOM 1092 CG1 ILE A 573 7.046 -17.670 -21.885 1.00 11.32 C ATOM 1093 CG2 ILE A 573 7.365 -19.783 -23.210 1.00 63.43 C ATOM 1094 CD1 ILE A 573 5.717 -18.089 -21.306 1.00 23.12 C ATOM 0 H ILE A 573 7.794 -15.846 -24.378 1.00 1.23 H new ATOM 0 HA ILE A 573 9.466 -17.964 -23.200 1.00 11.32 H new ATOM 0 HB ILE A 573 6.509 -17.964 -23.943 1.00 34.34 H new ATOM 0 HG12 ILE A 573 7.842 -17.979 -21.207 1.00 11.32 H new ATOM 0 HG13 ILE A 573 7.081 -16.582 -21.942 1.00 11.32 H new ATOM 0 HG21 ILE A 573 6.427 -20.157 -22.800 1.00 63.43 H new ATOM 0 HG22 ILE A 573 7.509 -20.185 -24.213 1.00 63.43 H new ATOM 0 HG23 ILE A 573 8.191 -20.097 -22.572 1.00 63.43 H new ATOM 0 HD11 ILE A 573 5.591 -17.639 -20.321 1.00 23.12 H new ATOM 0 HD12 ILE A 573 4.913 -17.756 -21.962 1.00 23.12 H new ATOM 0 HD13 ILE A 573 5.685 -19.175 -21.216 1.00 23.12 H new ATOM 1106 N ARG A 574 9.781 -19.158 -25.352 1.00 14.13 N ATOM 1107 CA ARG A 574 10.037 -19.843 -26.595 1.00 52.13 C ATOM 1108 C ARG A 574 8.970 -20.880 -26.848 1.00 21.13 C ATOM 1109 O ARG A 574 8.853 -21.882 -26.112 1.00 21.24 O ATOM 1110 CB ARG A 574 11.422 -20.497 -26.623 1.00 12.43 C ATOM 1111 CG ARG A 574 12.578 -19.550 -26.856 1.00 41.04 C ATOM 1112 CD ARG A 574 13.904 -20.282 -26.760 1.00 55.05 C ATOM 1113 NE ARG A 574 15.021 -19.471 -27.253 1.00 1.22 N ATOM 1114 CZ ARG A 574 16.285 -19.526 -26.806 1.00 33.51 C ATOM 1115 NH1 ARG A 574 16.595 -20.210 -25.703 1.00 31.22 N ATOM 1116 NH2 ARG A 574 17.232 -18.851 -27.442 1.00 50.22 N ATOM 0 H ARG A 574 10.373 -19.460 -24.578 1.00 14.13 H new ATOM 0 HA ARG A 574 10.014 -19.094 -27.387 1.00 52.13 H new ATOM 0 HB2 ARG A 574 11.581 -21.013 -25.676 1.00 12.43 H new ATOM 0 HB3 ARG A 574 11.432 -21.256 -27.405 1.00 12.43 H new ATOM 0 HG2 ARG A 574 12.483 -19.088 -27.839 1.00 41.04 H new ATOM 0 HG3 ARG A 574 12.548 -18.745 -26.122 1.00 41.04 H new ATOM 0 HD2 ARG A 574 14.089 -20.560 -25.722 1.00 55.05 H new ATOM 0 HD3 ARG A 574 13.848 -21.208 -27.333 1.00 55.05 H new ATOM 0 HE ARG A 574 14.820 -18.807 -28.001 1.00 1.22 H new ATOM 0 HH11 ARG A 574 15.866 -20.701 -25.186 1.00 31.22 H new ATOM 0 HH12 ARG A 574 17.561 -20.241 -25.377 1.00 31.22 H new ATOM 0 HH21 ARG A 574 16.997 -18.295 -28.264 1.00 50.22 H new ATOM 0 HH22 ARG A 574 18.195 -18.887 -27.109 1.00 50.22 H new ATOM 1130 N ILE A 575 8.186 -20.627 -27.841 1.00 42.50 N ATOM 1131 CA ILE A 575 7.160 -21.521 -28.267 1.00 24.50 C ATOM 1132 C ILE A 575 7.674 -22.197 -29.506 1.00 5.42 C ATOM 1133 O ILE A 575 8.051 -21.526 -30.474 1.00 41.12 O ATOM 1134 CB ILE A 575 5.839 -20.767 -28.598 1.00 75.52 C ATOM 1135 CG1 ILE A 575 5.306 -20.006 -27.364 1.00 3.21 C ATOM 1136 CG2 ILE A 575 4.781 -21.725 -29.142 1.00 21.41 C ATOM 1137 CD1 ILE A 575 4.976 -20.885 -26.167 1.00 11.23 C ATOM 0 H ILE A 575 8.241 -19.771 -28.394 1.00 42.50 H new ATOM 0 HA ILE A 575 6.931 -22.232 -27.473 1.00 24.50 H new ATOM 0 HB ILE A 575 6.063 -20.035 -29.374 1.00 75.52 H new ATOM 0 HG12 ILE A 575 6.048 -19.268 -27.061 1.00 3.21 H new ATOM 0 HG13 ILE A 575 4.410 -19.457 -27.652 1.00 3.21 H new ATOM 0 HG21 ILE A 575 3.869 -21.171 -29.365 1.00 21.41 H new ATOM 0 HG22 ILE A 575 5.151 -22.196 -30.053 1.00 21.41 H new ATOM 0 HG23 ILE A 575 4.567 -22.492 -28.397 1.00 21.41 H new ATOM 0 HD11 ILE A 575 4.609 -20.264 -25.350 1.00 11.23 H new ATOM 0 HD12 ILE A 575 4.209 -21.607 -26.446 1.00 11.23 H new ATOM 0 HD13 ILE A 575 5.873 -21.415 -25.846 1.00 11.23 H new ATOM 1149 N PHE A 576 7.744 -23.488 -29.477 1.00 13.23 N ATOM 1150 CA PHE A 576 8.256 -24.211 -30.599 1.00 0.15 C ATOM 1151 C PHE A 576 7.125 -24.646 -31.487 1.00 72.23 C ATOM 1152 O PHE A 576 5.966 -24.698 -31.044 1.00 0.24 O ATOM 1153 CB PHE A 576 9.113 -25.397 -30.152 1.00 14.25 C ATOM 1154 CG PHE A 576 10.297 -24.981 -29.325 1.00 34.13 C ATOM 1155 CD1 PHE A 576 11.360 -24.306 -29.904 1.00 22.03 C ATOM 1156 CD2 PHE A 576 10.338 -25.242 -27.969 1.00 71.41 C ATOM 1157 CE1 PHE A 576 12.442 -23.905 -29.146 1.00 75.40 C ATOM 1158 CE2 PHE A 576 11.415 -24.843 -27.209 1.00 50.40 C ATOM 1159 CZ PHE A 576 12.469 -24.174 -27.795 1.00 22.42 C ATOM 0 H PHE A 576 7.453 -24.066 -28.688 1.00 13.23 H new ATOM 0 HA PHE A 576 8.906 -23.551 -31.173 1.00 0.15 H new ATOM 0 HB2 PHE A 576 8.497 -26.087 -29.575 1.00 14.25 H new ATOM 0 HB3 PHE A 576 9.462 -25.939 -31.031 1.00 14.25 H new ATOM 0 HD1 PHE A 576 11.342 -24.091 -30.962 1.00 22.03 H new ATOM 0 HD2 PHE A 576 9.517 -25.764 -27.500 1.00 71.41 H new ATOM 0 HE1 PHE A 576 13.265 -23.382 -29.611 1.00 75.40 H new ATOM 0 HE2 PHE A 576 11.434 -25.055 -26.150 1.00 50.40 H new ATOM 0 HZ PHE A 576 13.313 -23.862 -27.197 1.00 22.42 H new ATOM 1308 N CYS A 585 -3.012 -29.104 -25.856 1.00 12.43 N ATOM 1309 CA CYS A 585 -1.976 -28.919 -24.890 1.00 74.04 C ATOM 1310 C CYS A 585 -1.838 -27.442 -24.544 1.00 73.22 C ATOM 1311 O CYS A 585 -1.778 -26.581 -25.418 1.00 54.53 O ATOM 1312 CB CYS A 585 -0.650 -29.545 -25.363 1.00 63.23 C ATOM 1313 SG CYS A 585 -0.040 -28.986 -26.969 1.00 41.34 S ATOM 0 HA CYS A 585 -2.250 -29.444 -23.975 1.00 74.04 H new ATOM 0 HB2 CYS A 585 0.114 -29.338 -24.614 1.00 63.23 H new ATOM 0 HB3 CYS A 585 -0.775 -30.627 -25.400 1.00 63.23 H new ATOM 0 HG CYS A 585 1.239 -29.206 -27.048 1.00 41.34 H new ATOM 1319 N SER A 586 -1.891 -27.140 -23.285 1.00 72.42 N ATOM 1320 CA SER A 586 -1.773 -25.791 -22.818 1.00 0.52 C ATOM 1321 C SER A 586 -1.018 -25.774 -21.508 1.00 61.34 C ATOM 1322 O SER A 586 -0.819 -26.834 -20.884 1.00 14.14 O ATOM 1323 CB SER A 586 -3.168 -25.201 -22.650 1.00 4.14 C ATOM 1324 OG SER A 586 -3.871 -25.266 -23.881 1.00 15.03 O ATOM 0 H SER A 586 -2.019 -27.829 -22.543 1.00 72.42 H new ATOM 0 HA SER A 586 -1.220 -25.189 -23.539 1.00 0.52 H new ATOM 0 HB2 SER A 586 -3.713 -25.747 -21.880 1.00 4.14 H new ATOM 0 HB3 SER A 586 -3.097 -24.166 -22.316 1.00 4.14 H new ATOM 0 HG SER A 586 -4.834 -25.196 -23.712 1.00 15.03 H new ATOM 1330 N PHE A 587 -0.557 -24.621 -21.116 1.00 33.35 N ATOM 1331 CA PHE A 587 0.135 -24.467 -19.865 1.00 13.33 C ATOM 1332 C PHE A 587 -0.238 -23.136 -19.231 1.00 24.41 C ATOM 1333 O PHE A 587 -1.058 -22.396 -19.767 1.00 72.25 O ATOM 1334 CB PHE A 587 1.660 -24.588 -20.068 1.00 62.43 C ATOM 1335 CG PHE A 587 2.296 -23.542 -20.953 1.00 31.12 C ATOM 1336 CD1 PHE A 587 2.278 -23.674 -22.327 1.00 23.10 C ATOM 1337 CD2 PHE A 587 2.935 -22.448 -20.402 1.00 34.35 C ATOM 1338 CE1 PHE A 587 2.880 -22.735 -23.134 1.00 52.03 C ATOM 1339 CE2 PHE A 587 3.543 -21.506 -21.206 1.00 43.22 C ATOM 1340 CZ PHE A 587 3.513 -21.655 -22.576 1.00 62.24 C ATOM 0 H PHE A 587 -0.649 -23.759 -21.654 1.00 33.35 H new ATOM 0 HA PHE A 587 -0.168 -25.266 -19.188 1.00 13.33 H new ATOM 0 HB2 PHE A 587 2.141 -24.549 -19.090 1.00 62.43 H new ATOM 0 HB3 PHE A 587 1.873 -25.570 -20.489 1.00 62.43 H new ATOM 0 HD1 PHE A 587 1.785 -24.525 -22.775 1.00 23.10 H new ATOM 0 HD2 PHE A 587 2.959 -22.329 -19.329 1.00 34.35 H new ATOM 0 HE1 PHE A 587 2.853 -22.850 -24.208 1.00 52.03 H new ATOM 0 HE2 PHE A 587 4.040 -20.655 -20.764 1.00 43.22 H new ATOM 0 HZ PHE A 587 3.988 -20.921 -23.210 1.00 62.24 H new ATOM 1350 N SER A 588 0.322 -22.839 -18.104 1.00 22.23 N ATOM 1351 CA SER A 588 0.060 -21.588 -17.455 1.00 52.40 C ATOM 1352 C SER A 588 1.338 -20.917 -17.043 1.00 60.33 C ATOM 1353 O SER A 588 2.401 -21.505 -17.086 1.00 54.24 O ATOM 1354 CB SER A 588 -0.853 -21.778 -16.249 1.00 53.34 C ATOM 1355 OG SER A 588 -2.114 -22.281 -16.653 1.00 62.44 O ATOM 0 H SER A 588 0.970 -23.449 -17.607 1.00 22.23 H new ATOM 0 HA SER A 588 -0.449 -20.944 -18.172 1.00 52.40 H new ATOM 0 HB2 SER A 588 -0.391 -22.466 -15.541 1.00 53.34 H new ATOM 0 HB3 SER A 588 -0.983 -20.828 -15.731 1.00 53.34 H new ATOM 0 HG SER A 588 -2.275 -23.146 -16.221 1.00 62.44 H new ATOM 1361 N LEU A 589 1.222 -19.700 -16.687 1.00 0.23 N ATOM 1362 CA LEU A 589 2.287 -18.922 -16.198 1.00 4.32 C ATOM 1363 C LEU A 589 1.745 -18.166 -15.018 1.00 44.31 C ATOM 1364 O LEU A 589 0.693 -17.525 -15.123 1.00 14.35 O ATOM 1365 CB LEU A 589 2.758 -17.963 -17.291 1.00 14.12 C ATOM 1366 CG LEU A 589 3.900 -17.017 -16.940 1.00 73.42 C ATOM 1367 CD1 LEU A 589 5.154 -17.775 -16.578 1.00 65.22 C ATOM 1368 CD2 LEU A 589 4.177 -16.103 -18.089 1.00 52.45 C ATOM 0 H LEU A 589 0.338 -19.193 -16.731 1.00 0.23 H new ATOM 0 HA LEU A 589 3.142 -19.532 -15.905 1.00 4.32 H new ATOM 0 HB2 LEU A 589 3.063 -18.556 -18.153 1.00 14.12 H new ATOM 0 HB3 LEU A 589 1.905 -17.361 -17.604 1.00 14.12 H new ATOM 0 HG LEU A 589 3.595 -16.433 -16.072 1.00 73.42 H new ATOM 0 HD11 LEU A 589 5.948 -17.069 -16.333 1.00 65.22 H new ATOM 0 HD12 LEU A 589 4.958 -18.413 -15.716 1.00 65.22 H new ATOM 0 HD13 LEU A 589 5.463 -18.391 -17.422 1.00 65.22 H new ATOM 0 HD21 LEU A 589 4.994 -15.430 -17.830 1.00 52.45 H new ATOM 0 HD22 LEU A 589 4.455 -16.692 -18.963 1.00 52.45 H new ATOM 0 HD23 LEU A 589 3.284 -15.519 -18.313 1.00 52.45 H new ATOM 1380 N VAL A 590 2.377 -18.305 -13.896 1.00 35.41 N ATOM 1381 CA VAL A 590 1.939 -17.621 -12.706 1.00 71.33 C ATOM 1382 C VAL A 590 3.064 -16.767 -12.173 1.00 64.35 C ATOM 1383 O VAL A 590 4.242 -16.999 -12.506 1.00 24.01 O ATOM 1384 CB VAL A 590 1.444 -18.595 -11.588 1.00 44.11 C ATOM 1385 CG1 VAL A 590 0.266 -19.445 -12.066 1.00 65.51 C ATOM 1386 CG2 VAL A 590 2.576 -19.483 -11.079 1.00 64.41 C ATOM 0 H VAL A 590 3.204 -18.889 -13.772 1.00 35.41 H new ATOM 0 HA VAL A 590 1.087 -17.002 -12.988 1.00 71.33 H new ATOM 0 HB VAL A 590 1.099 -17.979 -10.757 1.00 44.11 H new ATOM 0 HG11 VAL A 590 -0.052 -20.110 -11.263 1.00 65.51 H new ATOM 0 HG12 VAL A 590 -0.562 -18.794 -12.347 1.00 65.51 H new ATOM 0 HG13 VAL A 590 0.571 -20.037 -12.929 1.00 65.51 H new ATOM 0 HG21 VAL A 590 2.196 -20.147 -10.303 1.00 64.41 H new ATOM 0 HG22 VAL A 590 2.971 -20.077 -11.903 1.00 64.41 H new ATOM 0 HG23 VAL A 590 3.370 -18.860 -10.667 1.00 64.41 H new ATOM 1396 N LEU A 591 2.712 -15.792 -11.385 1.00 4.15 N ATOM 1397 CA LEU A 591 3.664 -14.918 -10.769 1.00 54.54 C ATOM 1398 C LEU A 591 3.787 -15.303 -9.316 1.00 35.33 C ATOM 1399 O LEU A 591 2.798 -15.713 -8.688 1.00 61.30 O ATOM 1400 CB LEU A 591 3.192 -13.475 -10.881 1.00 14.33 C ATOM 1401 CG LEU A 591 3.067 -12.901 -12.294 1.00 31.21 C ATOM 1402 CD1 LEU A 591 2.318 -11.580 -12.272 1.00 12.11 C ATOM 1403 CD2 LEU A 591 4.442 -12.707 -12.911 1.00 43.42 C ATOM 0 H LEU A 591 1.742 -15.580 -11.150 1.00 4.15 H new ATOM 0 HA LEU A 591 4.630 -15.007 -11.266 1.00 54.54 H new ATOM 0 HB2 LEU A 591 2.220 -13.396 -10.394 1.00 14.33 H new ATOM 0 HB3 LEU A 591 3.882 -12.846 -10.318 1.00 14.33 H new ATOM 0 HG LEU A 591 2.504 -13.611 -12.900 1.00 31.21 H new ATOM 0 HD11 LEU A 591 2.240 -11.189 -13.286 1.00 12.11 H new ATOM 0 HD12 LEU A 591 1.319 -11.735 -11.865 1.00 12.11 H new ATOM 0 HD13 LEU A 591 2.857 -10.867 -11.649 1.00 12.11 H new ATOM 0 HD21 LEU A 591 4.336 -12.298 -13.916 1.00 43.42 H new ATOM 0 HD22 LEU A 591 5.022 -12.017 -12.298 1.00 43.42 H new ATOM 0 HD23 LEU A 591 4.956 -13.667 -12.962 1.00 43.42 H new ATOM 1415 N GLU A 592 4.967 -15.199 -8.797 1.00 31.32 N ATOM 1416 CA GLU A 592 5.240 -15.534 -7.428 1.00 4.43 C ATOM 1417 C GLU A 592 5.508 -14.268 -6.652 1.00 23.34 C ATOM 1418 O GLU A 592 5.649 -13.201 -7.256 1.00 74.52 O ATOM 1419 CB GLU A 592 6.425 -16.479 -7.325 1.00 72.13 C ATOM 1420 CG GLU A 592 6.258 -17.754 -8.115 1.00 73.32 C ATOM 1421 CD GLU A 592 7.338 -18.739 -7.823 1.00 31.42 C ATOM 1422 OE1 GLU A 592 8.387 -18.695 -8.459 1.00 32.42 O ATOM 1423 OE2 GLU A 592 7.142 -19.598 -6.926 1.00 63.33 O ATOM 0 H GLU A 592 5.783 -14.875 -9.315 1.00 31.32 H new ATOM 0 HA GLU A 592 4.372 -16.043 -7.008 1.00 4.43 H new ATOM 0 HB2 GLU A 592 7.320 -15.963 -7.671 1.00 72.13 H new ATOM 0 HB3 GLU A 592 6.587 -16.731 -6.277 1.00 72.13 H new ATOM 0 HG2 GLU A 592 5.290 -18.199 -7.884 1.00 73.32 H new ATOM 0 HG3 GLU A 592 6.257 -17.523 -9.180 1.00 73.32 H new ATOM 1430 N GLU A 593 5.595 -14.390 -5.329 1.00 24.13 N ATOM 1431 CA GLU A 593 5.763 -13.248 -4.431 1.00 51.54 C ATOM 1432 C GLU A 593 7.037 -12.443 -4.726 1.00 33.54 C ATOM 1433 O GLU A 593 8.160 -12.896 -4.482 1.00 32.00 O ATOM 1434 CB GLU A 593 5.641 -13.627 -2.920 1.00 22.22 C ATOM 1435 CG GLU A 593 6.614 -14.692 -2.384 1.00 2.23 C ATOM 1436 CD GLU A 593 6.386 -16.062 -2.968 1.00 1.33 C ATOM 1437 OE1 GLU A 593 5.422 -16.741 -2.565 1.00 72.32 O ATOM 1438 OE2 GLU A 593 7.137 -16.480 -3.856 1.00 51.45 O ATOM 0 H GLU A 593 5.551 -15.288 -4.847 1.00 24.13 H new ATOM 0 HA GLU A 593 4.922 -12.588 -4.644 1.00 51.54 H new ATOM 0 HB2 GLU A 593 5.775 -12.719 -2.332 1.00 22.22 H new ATOM 0 HB3 GLU A 593 4.624 -13.976 -2.740 1.00 22.22 H new ATOM 0 HG2 GLU A 593 7.636 -14.380 -2.598 1.00 2.23 H new ATOM 0 HG3 GLU A 593 6.518 -14.747 -1.300 1.00 2.23 H new ATOM 1445 N PRO A 594 6.865 -11.229 -5.252 1.00 21.45 N ATOM 1446 CA PRO A 594 7.961 -10.380 -5.650 1.00 55.33 C ATOM 1447 C PRO A 594 8.658 -9.739 -4.461 1.00 61.15 C ATOM 1448 O PRO A 594 8.098 -9.644 -3.356 1.00 22.52 O ATOM 1449 CB PRO A 594 7.291 -9.320 -6.530 1.00 2.30 C ATOM 1450 CG PRO A 594 5.901 -9.234 -6.031 1.00 55.30 C ATOM 1451 CD PRO A 594 5.562 -10.583 -5.479 1.00 42.53 C ATOM 0 HA PRO A 594 8.745 -10.937 -6.163 1.00 55.33 H new ATOM 0 HB2 PRO A 594 7.800 -8.360 -6.449 1.00 2.30 H new ATOM 0 HB3 PRO A 594 7.316 -9.606 -7.582 1.00 2.30 H new ATOM 0 HG2 PRO A 594 5.812 -8.467 -5.262 1.00 55.30 H new ATOM 0 HG3 PRO A 594 5.217 -8.961 -6.834 1.00 55.30 H new ATOM 0 HD2 PRO A 594 4.993 -10.501 -4.553 1.00 42.53 H new ATOM 0 HD3 PRO A 594 4.952 -11.155 -6.178 1.00 42.53 H new ATOM 1459 N LYS A 595 9.871 -9.332 -4.672 1.00 34.40 N ATOM 1460 CA LYS A 595 10.667 -8.719 -3.635 1.00 72.03 C ATOM 1461 C LYS A 595 11.132 -7.356 -4.071 1.00 11.22 C ATOM 1462 O LYS A 595 11.472 -7.154 -5.238 1.00 22.33 O ATOM 1463 CB LYS A 595 11.844 -9.625 -3.251 1.00 43.41 C ATOM 1464 CG LYS A 595 12.706 -10.064 -4.417 1.00 1.15 C ATOM 1465 CD LYS A 595 13.698 -11.118 -3.985 1.00 13.12 C ATOM 1466 CE LYS A 595 14.485 -11.649 -5.164 1.00 54.21 C ATOM 1467 NZ LYS A 595 15.358 -12.770 -4.783 1.00 5.41 N ATOM 0 H LYS A 595 10.346 -9.413 -5.571 1.00 34.40 H new ATOM 0 HA LYS A 595 10.051 -8.591 -2.745 1.00 72.03 H new ATOM 0 HB2 LYS A 595 12.470 -9.099 -2.530 1.00 43.41 H new ATOM 0 HB3 LYS A 595 11.455 -10.511 -2.749 1.00 43.41 H new ATOM 0 HG2 LYS A 595 12.075 -10.457 -5.214 1.00 1.15 H new ATOM 0 HG3 LYS A 595 13.237 -9.205 -4.826 1.00 1.15 H new ATOM 0 HD2 LYS A 595 14.382 -10.696 -3.249 1.00 13.12 H new ATOM 0 HD3 LYS A 595 13.171 -11.938 -3.498 1.00 13.12 H new ATOM 0 HE2 LYS A 595 13.796 -11.975 -5.943 1.00 54.21 H new ATOM 0 HE3 LYS A 595 15.089 -10.847 -5.588 1.00 54.21 H new ATOM 0 HZ1 LYS A 595 15.879 -13.104 -5.619 1.00 5.41 H new ATOM 0 HZ2 LYS A 595 16.033 -12.453 -4.058 1.00 5.41 H new ATOM 0 HZ3 LYS A 595 14.780 -13.546 -4.402 1.00 5.41 H new ATOM 1481 N TRP A 596 11.127 -6.429 -3.157 1.00 15.23 N ATOM 1482 CA TRP A 596 11.483 -5.073 -3.454 1.00 10.12 C ATOM 1483 C TRP A 596 12.883 -4.832 -2.943 1.00 44.54 C ATOM 1484 O TRP A 596 13.171 -5.075 -1.769 1.00 72.21 O ATOM 1485 CB TRP A 596 10.520 -4.131 -2.731 1.00 71.43 C ATOM 1486 CG TRP A 596 10.387 -2.765 -3.334 1.00 33.42 C ATOM 1487 CD1 TRP A 596 11.364 -1.836 -3.544 1.00 44.22 C ATOM 1488 CD2 TRP A 596 9.170 -2.169 -3.771 1.00 30.44 C ATOM 1489 NE1 TRP A 596 10.821 -0.708 -4.105 1.00 45.41 N ATOM 1490 CE2 TRP A 596 9.476 -0.892 -4.251 1.00 31.32 C ATOM 1491 CE3 TRP A 596 7.850 -2.604 -3.810 1.00 40.53 C ATOM 1492 CZ2 TRP A 596 8.505 -0.044 -4.764 1.00 42.31 C ATOM 1493 CZ3 TRP A 596 6.890 -1.766 -4.318 1.00 45.14 C ATOM 1494 CH2 TRP A 596 7.217 -0.500 -4.788 1.00 34.13 C ATOM 0 H TRP A 596 10.875 -6.593 -2.182 1.00 15.23 H new ATOM 0 HA TRP A 596 11.431 -4.893 -4.528 1.00 10.12 H new ATOM 0 HB2 TRP A 596 9.534 -4.596 -2.704 1.00 71.43 H new ATOM 0 HB3 TRP A 596 10.850 -4.024 -1.698 1.00 71.43 H new ATOM 0 HD1 TRP A 596 12.409 -1.969 -3.304 1.00 44.22 H new ATOM 0 HE1 TRP A 596 11.337 0.131 -4.370 1.00 45.41 H new ATOM 0 HE3 TRP A 596 7.585 -3.586 -3.446 1.00 40.53 H new ATOM 0 HZ2 TRP A 596 8.758 0.940 -5.131 1.00 42.31 H new ATOM 0 HZ3 TRP A 596 5.862 -2.096 -4.353 1.00 45.14 H new ATOM 0 HH2 TRP A 596 6.438 0.136 -5.180 1.00 34.13 H new ATOM 1505 N ILE A 597 13.745 -4.399 -3.800 1.00 44.32 N ATOM 1506 CA ILE A 597 15.075 -4.058 -3.423 1.00 44.20 C ATOM 1507 C ILE A 597 15.144 -2.538 -3.341 1.00 73.44 C ATOM 1508 O ILE A 597 15.341 -1.838 -4.347 1.00 21.33 O ATOM 1509 CB ILE A 597 16.190 -4.616 -4.402 1.00 14.42 C ATOM 1510 CG1 ILE A 597 16.213 -6.168 -4.469 1.00 55.31 C ATOM 1511 CG2 ILE A 597 17.572 -4.114 -4.000 1.00 72.31 C ATOM 1512 CD1 ILE A 597 15.050 -6.808 -5.196 1.00 3.44 C ATOM 0 H ILE A 597 13.544 -4.271 -4.792 1.00 44.32 H new ATOM 0 HA ILE A 597 15.290 -4.528 -2.463 1.00 44.20 H new ATOM 0 HB ILE A 597 15.932 -4.241 -5.392 1.00 14.42 H new ATOM 0 HG12 ILE A 597 17.138 -6.479 -4.955 1.00 55.31 H new ATOM 0 HG13 ILE A 597 16.241 -6.557 -3.451 1.00 55.31 H new ATOM 0 HG21 ILE A 597 18.318 -4.512 -4.688 1.00 72.31 H new ATOM 0 HG22 ILE A 597 17.588 -3.025 -4.037 1.00 72.31 H new ATOM 0 HG23 ILE A 597 17.799 -4.446 -2.987 1.00 72.31 H new ATOM 0 HD11 ILE A 597 15.165 -7.892 -5.184 1.00 3.44 H new ATOM 0 HD12 ILE A 597 14.118 -6.537 -4.701 1.00 3.44 H new ATOM 0 HD13 ILE A 597 15.028 -6.457 -6.228 1.00 3.44 H new ATOM 2107 N ILE A 634 3.257 -7.401 -3.935 1.00 10.23 N ATOM 2108 CA ILE A 634 2.517 -8.592 -4.192 1.00 53.42 C ATOM 2109 C ILE A 634 2.015 -8.618 -5.610 1.00 3.21 C ATOM 2110 O ILE A 634 2.320 -7.737 -6.416 1.00 42.40 O ATOM 2111 CB ILE A 634 1.334 -8.779 -3.206 1.00 13.43 C ATOM 2112 CG1 ILE A 634 0.378 -7.569 -3.256 1.00 21.53 C ATOM 2113 CG2 ILE A 634 1.853 -9.032 -1.781 1.00 62.10 C ATOM 2114 CD1 ILE A 634 -0.861 -7.720 -2.401 1.00 22.35 C ATOM 0 HA ILE A 634 3.205 -9.424 -4.041 1.00 53.42 H new ATOM 0 HB ILE A 634 0.765 -9.656 -3.513 1.00 13.43 H new ATOM 0 HG12 ILE A 634 0.920 -6.679 -2.936 1.00 21.53 H new ATOM 0 HG13 ILE A 634 0.074 -7.403 -4.290 1.00 21.53 H new ATOM 0 HG21 ILE A 634 1.009 -9.161 -1.104 1.00 62.10 H new ATOM 0 HG22 ILE A 634 2.466 -9.933 -1.772 1.00 62.10 H new ATOM 0 HG23 ILE A 634 2.453 -8.182 -1.456 1.00 62.10 H new ATOM 0 HD11 ILE A 634 -1.478 -6.826 -2.494 1.00 22.35 H new ATOM 0 HD12 ILE A 634 -1.429 -8.589 -2.733 1.00 22.35 H new ATOM 0 HD13 ILE A 634 -0.570 -7.854 -1.359 1.00 22.35 H new ATOM 2126 N LEU A 635 1.292 -9.628 -5.923 1.00 64.24 N ATOM 2127 CA LEU A 635 0.729 -9.775 -7.218 1.00 43.13 C ATOM 2128 C LEU A 635 -0.723 -9.449 -7.104 1.00 42.23 C ATOM 2129 O LEU A 635 -1.225 -9.182 -5.990 1.00 1.45 O ATOM 2130 CB LEU A 635 0.846 -11.228 -7.739 1.00 70.02 C ATOM 2131 CG LEU A 635 2.224 -11.894 -7.767 1.00 0.41 C ATOM 2132 CD1 LEU A 635 3.269 -11.006 -8.416 1.00 31.01 C ATOM 2133 CD2 LEU A 635 2.644 -12.352 -6.386 1.00 71.44 C ATOM 0 H LEU A 635 1.070 -10.388 -5.280 1.00 64.24 H new ATOM 0 HA LEU A 635 1.260 -9.121 -7.910 1.00 43.13 H new ATOM 0 HB2 LEU A 635 0.191 -11.851 -7.129 1.00 70.02 H new ATOM 0 HB3 LEU A 635 0.450 -11.247 -8.754 1.00 70.02 H new ATOM 0 HG LEU A 635 2.142 -12.785 -8.390 1.00 0.41 H new ATOM 0 HD11 LEU A 635 4.232 -11.517 -8.415 1.00 31.01 H new ATOM 0 HD12 LEU A 635 2.975 -10.788 -9.443 1.00 31.01 H new ATOM 0 HD13 LEU A 635 3.352 -10.074 -7.857 1.00 31.01 H new ATOM 0 HD21 LEU A 635 3.627 -12.820 -6.441 1.00 71.44 H new ATOM 0 HD22 LEU A 635 2.688 -11.494 -5.716 1.00 71.44 H new ATOM 0 HD23 LEU A 635 1.920 -13.072 -6.006 1.00 71.44 H new ATOM 2145 N GLY A 636 -1.399 -9.453 -8.213 1.00 30.45 N ATOM 2146 CA GLY A 636 -2.812 -9.345 -8.168 1.00 44.34 C ATOM 2147 C GLY A 636 -3.367 -10.626 -7.577 1.00 1.15 C ATOM 2148 O GLY A 636 -2.707 -11.683 -7.674 1.00 13.11 O ATOM 0 H GLY A 636 -0.994 -9.529 -9.146 1.00 30.45 H new ATOM 0 HA2 GLY A 636 -3.109 -8.488 -7.563 1.00 44.34 H new ATOM 0 HA3 GLY A 636 -3.213 -9.183 -9.169 1.00 44.34 H new ATOM 2152 N GLU A 637 -4.535 -10.526 -6.963 1.00 73.10 N ATOM 2153 CA GLU A 637 -5.202 -11.613 -6.228 1.00 10.44 C ATOM 2154 C GLU A 637 -5.094 -12.950 -6.934 1.00 31.30 C ATOM 2155 O GLU A 637 -4.506 -13.901 -6.405 1.00 53.40 O ATOM 2156 CB GLU A 637 -6.652 -11.223 -6.009 1.00 3.12 C ATOM 2157 CG GLU A 637 -7.425 -12.175 -5.148 1.00 2.44 C ATOM 2158 CD GLU A 637 -8.779 -11.650 -4.824 1.00 72.21 C ATOM 2159 OE1 GLU A 637 -9.650 -11.629 -5.718 1.00 4.33 O ATOM 2160 OE2 GLU A 637 -9.001 -11.241 -3.657 1.00 43.51 O ATOM 0 H GLU A 637 -5.072 -9.659 -6.957 1.00 73.10 H new ATOM 0 HA GLU A 637 -4.699 -11.745 -5.270 1.00 10.44 H new ATOM 0 HB2 GLU A 637 -6.685 -10.233 -5.555 1.00 3.12 H new ATOM 0 HB3 GLU A 637 -7.145 -11.146 -6.978 1.00 3.12 H new ATOM 0 HG2 GLU A 637 -7.519 -13.133 -5.659 1.00 2.44 H new ATOM 0 HG3 GLU A 637 -6.876 -12.359 -4.225 1.00 2.44 H new ATOM 2167 N HIS A 638 -5.627 -13.021 -8.111 1.00 15.20 N ATOM 2168 CA HIS A 638 -5.548 -14.201 -8.902 1.00 43.04 C ATOM 2169 C HIS A 638 -4.984 -13.850 -10.237 1.00 53.31 C ATOM 2170 O HIS A 638 -5.695 -13.382 -11.112 1.00 51.20 O ATOM 2171 CB HIS A 638 -6.928 -14.866 -9.021 1.00 33.30 C ATOM 2172 CG HIS A 638 -7.438 -15.298 -7.693 1.00 4.13 C ATOM 2173 ND1 HIS A 638 -8.520 -14.753 -7.061 1.00 70.41 N ATOM 2174 CD2 HIS A 638 -6.922 -16.190 -6.848 1.00 42.31 C ATOM 2175 CE1 HIS A 638 -8.616 -15.312 -5.859 1.00 24.35 C ATOM 2176 NE2 HIS A 638 -7.666 -16.211 -5.680 1.00 21.15 N ATOM 0 H HIS A 638 -6.133 -12.253 -8.552 1.00 15.20 H new ATOM 0 HA HIS A 638 -4.888 -14.925 -8.424 1.00 43.04 H new ATOM 0 HB2 HIS A 638 -7.632 -14.168 -9.473 1.00 33.30 H new ATOM 0 HB3 HIS A 638 -6.862 -15.728 -9.685 1.00 33.30 H new ATOM 0 HD2 HIS A 638 -6.055 -16.803 -7.044 1.00 42.31 H new ATOM 0 HE1 HIS A 638 -9.370 -15.064 -5.127 1.00 24.35 H new ATOM 0 HE2 HIS A 638 -7.513 -16.795 -4.858 1.00 21.15 H new ATOM 2184 N THR A 639 -3.694 -13.971 -10.366 1.00 62.10 N ATOM 2185 CA THR A 639 -3.066 -13.679 -11.602 1.00 74.22 C ATOM 2186 C THR A 639 -2.429 -14.967 -12.156 1.00 51.21 C ATOM 2187 O THR A 639 -1.493 -15.546 -11.587 1.00 30.14 O ATOM 2188 CB THR A 639 -2.077 -12.459 -11.481 1.00 23.03 C ATOM 2189 OG1 THR A 639 -1.661 -12.009 -12.769 1.00 12.25 O ATOM 2190 CG2 THR A 639 -0.861 -12.768 -10.619 1.00 74.44 C ATOM 0 H THR A 639 -3.063 -14.271 -9.623 1.00 62.10 H new ATOM 0 HA THR A 639 -3.806 -13.348 -12.331 1.00 74.22 H new ATOM 0 HB THR A 639 -2.633 -11.664 -10.984 1.00 23.03 H new ATOM 0 HG1 THR A 639 -0.922 -12.568 -13.088 1.00 12.25 H new ATOM 0 HG21 THR A 639 -0.216 -11.891 -10.572 1.00 74.44 H new ATOM 0 HG22 THR A 639 -1.186 -13.033 -9.613 1.00 74.44 H new ATOM 0 HG23 THR A 639 -0.309 -13.601 -11.054 1.00 74.44 H new ATOM 2198 N LYS A 640 -3.008 -15.439 -13.216 1.00 32.54 N ATOM 2199 CA LYS A 640 -2.644 -16.681 -13.838 1.00 21.22 C ATOM 2200 C LYS A 640 -2.855 -16.491 -15.302 1.00 12.14 C ATOM 2201 O LYS A 640 -3.968 -16.213 -15.728 1.00 71.33 O ATOM 2202 CB LYS A 640 -3.567 -17.798 -13.305 1.00 64.51 C ATOM 2203 CG LYS A 640 -3.356 -19.183 -13.838 1.00 53.31 C ATOM 2204 CD LYS A 640 -4.399 -20.070 -13.199 1.00 5.10 C ATOM 2205 CE LYS A 640 -4.048 -21.517 -13.264 1.00 53.31 C ATOM 2206 NZ LYS A 640 -4.064 -22.101 -14.635 1.00 62.33 N ATOM 0 H LYS A 640 -3.772 -14.957 -13.690 1.00 32.54 H new ATOM 0 HA LYS A 640 -1.612 -16.961 -13.627 1.00 21.22 H new ATOM 0 HB2 LYS A 640 -3.459 -17.835 -12.221 1.00 64.51 H new ATOM 0 HB3 LYS A 640 -4.598 -17.511 -13.513 1.00 64.51 H new ATOM 0 HG2 LYS A 640 -3.452 -19.196 -14.924 1.00 53.31 H new ATOM 0 HG3 LYS A 640 -2.353 -19.537 -13.602 1.00 53.31 H new ATOM 0 HD2 LYS A 640 -4.527 -19.779 -12.156 1.00 5.10 H new ATOM 0 HD3 LYS A 640 -5.357 -19.911 -13.694 1.00 5.10 H new ATOM 0 HE2 LYS A 640 -3.055 -21.656 -12.836 1.00 53.31 H new ATOM 0 HE3 LYS A 640 -4.745 -22.074 -12.638 1.00 53.31 H new ATOM 0 HZ1 LYS A 640 -4.199 -23.130 -14.572 1.00 62.33 H new ATOM 0 HZ2 LYS A 640 -4.843 -21.682 -15.182 1.00 62.33 H new ATOM 0 HZ3 LYS A 640 -3.161 -21.898 -15.109 1.00 62.33 H new ATOM 2220 N LEU A 641 -1.815 -16.570 -16.047 1.00 73.21 N ATOM 2221 CA LEU A 641 -1.895 -16.372 -17.456 1.00 23.33 C ATOM 2222 C LEU A 641 -1.743 -17.706 -18.122 1.00 62.15 C ATOM 2223 O LEU A 641 -0.691 -18.329 -18.066 1.00 4.23 O ATOM 2224 CB LEU A 641 -0.839 -15.324 -17.869 1.00 52.31 C ATOM 2225 CG LEU A 641 -0.710 -14.870 -19.334 1.00 55.41 C ATOM 2226 CD1 LEU A 641 0.281 -15.693 -20.069 1.00 2.21 C ATOM 2227 CD2 LEU A 641 -2.037 -14.874 -20.049 1.00 50.13 C ATOM 0 H LEU A 641 -0.878 -16.774 -15.700 1.00 73.21 H new ATOM 0 HA LEU A 641 -2.858 -15.971 -17.773 1.00 23.33 H new ATOM 0 HB2 LEU A 641 -1.024 -14.431 -17.272 1.00 52.31 H new ATOM 0 HB3 LEU A 641 0.133 -15.713 -17.568 1.00 52.31 H new ATOM 0 HG LEU A 641 -0.353 -13.840 -19.312 1.00 55.41 H new ATOM 0 HD11 LEU A 641 0.348 -15.347 -21.100 1.00 2.21 H new ATOM 0 HD12 LEU A 641 1.256 -15.601 -19.591 1.00 2.21 H new ATOM 0 HD13 LEU A 641 -0.032 -16.737 -20.057 1.00 2.21 H new ATOM 0 HD21 LEU A 641 -1.896 -14.547 -21.079 1.00 50.13 H new ATOM 0 HD22 LEU A 641 -2.451 -15.882 -20.042 1.00 50.13 H new ATOM 0 HD23 LEU A 641 -2.725 -14.196 -19.544 1.00 50.13 H new ATOM 2239 N GLU A 642 -2.821 -18.178 -18.659 1.00 65.21 N ATOM 2240 CA GLU A 642 -2.843 -19.448 -19.295 1.00 72.41 C ATOM 2241 C GLU A 642 -2.467 -19.289 -20.743 1.00 62.24 C ATOM 2242 O GLU A 642 -2.985 -18.413 -21.441 1.00 64.21 O ATOM 2243 CB GLU A 642 -4.208 -20.101 -19.141 1.00 42.31 C ATOM 2244 CG GLU A 642 -4.669 -20.173 -17.692 1.00 2.45 C ATOM 2245 CD GLU A 642 -5.878 -21.038 -17.499 1.00 13.32 C ATOM 2246 OE1 GLU A 642 -7.014 -20.589 -17.745 1.00 23.14 O ATOM 2247 OE2 GLU A 642 -5.707 -22.195 -17.080 1.00 3.21 O ATOM 0 H GLU A 642 -3.715 -17.687 -18.667 1.00 65.21 H new ATOM 0 HA GLU A 642 -2.115 -20.105 -18.819 1.00 72.41 H new ATOM 0 HB2 GLU A 642 -4.941 -19.542 -19.723 1.00 42.31 H new ATOM 0 HB3 GLU A 642 -4.173 -21.108 -19.556 1.00 42.31 H new ATOM 0 HG2 GLU A 642 -3.855 -20.556 -17.077 1.00 2.45 H new ATOM 0 HG3 GLU A 642 -4.890 -19.166 -17.337 1.00 2.45 H new ATOM 2254 N VAL A 643 -1.570 -20.112 -21.186 1.00 74.54 N ATOM 2255 CA VAL A 643 -1.068 -20.046 -22.529 1.00 52.41 C ATOM 2256 C VAL A 643 -1.475 -21.281 -23.258 1.00 62.23 C ATOM 2257 O VAL A 643 -1.115 -22.407 -22.879 1.00 14.41 O ATOM 2258 CB VAL A 643 0.473 -19.899 -22.592 1.00 40.31 C ATOM 2259 CG1 VAL A 643 0.942 -19.649 -24.018 1.00 24.34 C ATOM 2260 CG2 VAL A 643 0.974 -18.810 -21.663 1.00 70.31 C ATOM 0 H VAL A 643 -1.159 -20.857 -20.623 1.00 74.54 H new ATOM 0 HA VAL A 643 -1.493 -19.156 -22.993 1.00 52.41 H new ATOM 0 HB VAL A 643 0.900 -20.843 -22.252 1.00 40.31 H new ATOM 0 HG11 VAL A 643 2.027 -19.550 -24.032 1.00 24.34 H new ATOM 0 HG12 VAL A 643 0.646 -20.486 -24.650 1.00 24.34 H new ATOM 0 HG13 VAL A 643 0.489 -18.732 -24.394 1.00 24.34 H new ATOM 0 HG21 VAL A 643 2.059 -18.739 -21.737 1.00 70.31 H new ATOM 0 HG22 VAL A 643 0.528 -17.857 -21.946 1.00 70.31 H new ATOM 0 HG23 VAL A 643 0.695 -19.050 -20.637 1.00 70.31 H new ATOM 2270 N ILE A 644 -2.223 -21.076 -24.275 1.00 72.02 N ATOM 2271 CA ILE A 644 -2.746 -22.130 -25.054 1.00 13.12 C ATOM 2272 C ILE A 644 -2.080 -22.129 -26.402 1.00 13.30 C ATOM 2273 O ILE A 644 -1.971 -21.078 -27.048 1.00 15.22 O ATOM 2274 CB ILE A 644 -4.293 -22.015 -25.202 1.00 44.15 C ATOM 2275 CG1 ILE A 644 -4.999 -22.180 -23.846 1.00 12.34 C ATOM 2276 CG2 ILE A 644 -4.843 -23.011 -26.210 1.00 24.14 C ATOM 2277 CD1 ILE A 644 -4.966 -20.979 -22.940 1.00 5.43 C ATOM 0 H ILE A 644 -2.495 -20.147 -24.597 1.00 72.02 H new ATOM 0 HA ILE A 644 -2.540 -23.074 -24.549 1.00 13.12 H new ATOM 0 HB ILE A 644 -4.499 -21.013 -25.578 1.00 44.15 H new ATOM 0 HG12 ILE A 644 -6.040 -22.444 -24.030 1.00 12.34 H new ATOM 0 HG13 ILE A 644 -4.545 -23.020 -23.321 1.00 12.34 H new ATOM 0 HG21 ILE A 644 -5.925 -22.896 -26.282 1.00 24.14 H new ATOM 0 HG22 ILE A 644 -4.393 -22.827 -27.186 1.00 24.14 H new ATOM 0 HG23 ILE A 644 -4.606 -24.025 -25.886 1.00 24.14 H new ATOM 0 HD11 ILE A 644 -5.493 -21.208 -22.014 1.00 5.43 H new ATOM 0 HD12 ILE A 644 -3.931 -20.721 -22.715 1.00 5.43 H new ATOM 0 HD13 ILE A 644 -5.450 -20.137 -23.434 1.00 5.43 H new ATOM 2289 N ILE A 645 -1.605 -23.278 -26.800 1.00 2.42 N ATOM 2290 CA ILE A 645 -0.962 -23.430 -28.060 1.00 64.40 C ATOM 2291 C ILE A 645 -1.861 -24.093 -29.082 1.00 15.32 C ATOM 2292 O ILE A 645 -2.208 -25.277 -28.987 1.00 42.40 O ATOM 2293 CB ILE A 645 0.464 -24.077 -28.019 1.00 43.43 C ATOM 2294 CG1 ILE A 645 0.648 -25.134 -26.881 1.00 41.10 C ATOM 2295 CG2 ILE A 645 1.531 -22.994 -27.947 1.00 54.43 C ATOM 2296 CD1 ILE A 645 0.876 -24.563 -25.484 1.00 11.35 C ATOM 0 H ILE A 645 -1.658 -24.135 -26.250 1.00 2.42 H new ATOM 0 HA ILE A 645 -0.776 -22.407 -28.386 1.00 64.40 H new ATOM 0 HB ILE A 645 0.578 -24.634 -28.949 1.00 43.43 H new ATOM 0 HG12 ILE A 645 -0.236 -25.771 -26.854 1.00 41.10 H new ATOM 0 HG13 ILE A 645 1.494 -25.773 -27.136 1.00 41.10 H new ATOM 0 HG21 ILE A 645 2.518 -23.457 -27.919 1.00 54.43 H new ATOM 0 HG22 ILE A 645 1.456 -22.351 -28.824 1.00 54.43 H new ATOM 0 HG23 ILE A 645 1.384 -22.398 -27.046 1.00 54.43 H new ATOM 0 HD11 ILE A 645 0.991 -25.380 -24.771 1.00 11.35 H new ATOM 0 HD12 ILE A 645 1.778 -23.951 -25.484 1.00 11.35 H new ATOM 0 HD13 ILE A 645 0.022 -23.949 -25.198 1.00 11.35 H new