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 545 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 586 SER OG : rot 41:sc= 0.0529 USER MOD Set 2.1: A 539 TYR OH : rot -5:sc= 0.987 USER MOD Set 2.2: A 556 THR OG1 : rot 172:sc= 0.846 USER MOD Set 3.1: A 506 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 639 THR OG1 : rot -71:sc= 0.971 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= -0.314 USER MOD Single : A 521 MET CE :methyl 168:sc= -1.27 (180deg=-1.83) USER MOD Single : A 524 LYS NZ :NH3+ 141:sc= 0.144 (180deg=-0.242) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0.00776 USER MOD Single : A 529 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 534 ASN : amide:sc= -0.35 K(o=-0.35,f=-3.6!) USER MOD Single : A 540 LYS NZ :NH3+ 166:sc= 1.18 (180deg=0.895) USER MOD Single : A 541 THR OG1 : rot -100:sc= -0.954 USER MOD Single : A 557 CYS SG : rot 34:sc= 0.00304 USER MOD Single : A 563 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.68) USER MOD Single : A 564 ASN : amide:sc= -0.581 K(o=-0.58,f=-6.7!) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 THR OG1 : rot 33:sc= 0.296 USER MOD Single : A 585 CYS SG : rot 180:sc= 0 USER MOD Single : A 588 SER OG : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 HIS : no HD1:sc= -0.649 K(o=-0.65,f=-1.6!) USER MOD Single : A 640 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 3.335 -2.640 -4.487 1.00 14.13 N ATOM 29 CA GLY A 503 3.406 -3.448 -5.653 1.00 43.24 C ATOM 30 C GLY A 503 2.189 -4.309 -5.843 1.00 40.21 C ATOM 31 O GLY A 503 1.776 -5.020 -4.929 1.00 0.24 O ATOM 0 HA2 GLY A 503 3.531 -2.807 -6.526 1.00 43.24 H new ATOM 0 HA3 GLY A 503 4.289 -4.084 -5.595 1.00 43.24 H new ATOM 35 N ILE A 504 1.581 -4.168 -6.996 1.00 30.31 N ATOM 36 CA ILE A 504 0.505 -5.019 -7.452 1.00 22.32 C ATOM 37 C ILE A 504 0.933 -5.498 -8.813 1.00 73.24 C ATOM 38 O ILE A 504 1.089 -4.681 -9.711 1.00 55.44 O ATOM 39 CB ILE A 504 -0.840 -4.245 -7.642 1.00 42.30 C ATOM 40 CG1 ILE A 504 -1.310 -3.583 -6.347 1.00 31.44 C ATOM 41 CG2 ILE A 504 -1.923 -5.183 -8.173 1.00 33.33 C ATOM 42 CD1 ILE A 504 -2.572 -2.754 -6.500 1.00 3.21 C ATOM 0 H ILE A 504 1.827 -3.437 -7.663 1.00 30.31 H new ATOM 0 HA ILE A 504 0.331 -5.808 -6.720 1.00 22.32 H new ATOM 0 HB ILE A 504 -0.657 -3.454 -8.369 1.00 42.30 H new ATOM 0 HG12 ILE A 504 -1.484 -4.356 -5.598 1.00 31.44 H new ATOM 0 HG13 ILE A 504 -0.512 -2.945 -5.967 1.00 31.44 H new ATOM 0 HG21 ILE A 504 -2.853 -4.630 -8.300 1.00 33.33 H new ATOM 0 HG22 ILE A 504 -1.610 -5.593 -9.133 1.00 33.33 H new ATOM 0 HG23 ILE A 504 -2.079 -5.997 -7.465 1.00 33.33 H new ATOM 0 HD11 ILE A 504 -2.840 -2.318 -5.538 1.00 3.21 H new ATOM 0 HD12 ILE A 504 -2.399 -1.957 -7.223 1.00 3.21 H new ATOM 0 HD13 ILE A 504 -3.385 -3.390 -6.849 1.00 3.21 H new ATOM 54 N PHE A 505 1.173 -6.763 -8.959 1.00 41.41 N ATOM 55 CA PHE A 505 1.578 -7.300 -10.241 1.00 12.52 C ATOM 56 C PHE A 505 0.511 -8.218 -10.785 1.00 22.51 C ATOM 57 O PHE A 505 0.018 -9.106 -10.070 1.00 43.21 O ATOM 58 CB PHE A 505 2.911 -8.044 -10.144 1.00 12.35 C ATOM 59 CG PHE A 505 4.083 -7.191 -9.748 1.00 72.24 C ATOM 60 CD1 PHE A 505 4.846 -6.556 -10.708 1.00 60.52 C ATOM 61 CD2 PHE A 505 4.427 -7.035 -8.416 1.00 23.42 C ATOM 62 CE1 PHE A 505 5.926 -5.782 -10.349 1.00 74.51 C ATOM 63 CE2 PHE A 505 5.505 -6.262 -8.050 1.00 64.34 C ATOM 64 CZ PHE A 505 6.257 -5.635 -9.016 1.00 71.33 C ATOM 0 H PHE A 505 1.098 -7.453 -8.211 1.00 41.41 H new ATOM 0 HA PHE A 505 1.712 -6.461 -10.923 1.00 12.52 H new ATOM 0 HB2 PHE A 505 2.808 -8.853 -9.420 1.00 12.35 H new ATOM 0 HB3 PHE A 505 3.125 -8.505 -11.108 1.00 12.35 H new ATOM 0 HD1 PHE A 505 4.593 -6.668 -11.752 1.00 60.52 H new ATOM 0 HD2 PHE A 505 3.841 -7.527 -7.654 1.00 23.42 H new ATOM 0 HE1 PHE A 505 6.514 -5.290 -11.109 1.00 74.51 H new ATOM 0 HE2 PHE A 505 5.760 -6.148 -7.007 1.00 64.34 H new ATOM 0 HZ PHE A 505 7.105 -5.029 -8.733 1.00 71.33 H new ATOM 74 N THR A 506 0.126 -7.984 -12.009 1.00 41.41 N ATOM 75 CA THR A 506 -0.860 -8.788 -12.663 1.00 32.24 C ATOM 76 C THR A 506 -0.578 -8.847 -14.168 1.00 62.15 C ATOM 77 O THR A 506 -0.001 -7.916 -14.739 1.00 55.33 O ATOM 78 CB THR A 506 -2.308 -8.249 -12.392 1.00 62.24 C ATOM 79 OG1 THR A 506 -3.295 -9.066 -13.054 1.00 63.30 O ATOM 80 CG2 THR A 506 -2.460 -6.802 -12.854 1.00 64.05 C ATOM 0 H THR A 506 0.492 -7.224 -12.582 1.00 41.41 H new ATOM 0 HA THR A 506 -0.802 -9.796 -12.253 1.00 32.24 H new ATOM 0 HB THR A 506 -2.468 -8.293 -11.315 1.00 62.24 H new ATOM 0 HG1 THR A 506 -4.190 -8.712 -12.870 1.00 63.30 H new ATOM 0 HG21 THR A 506 -3.475 -6.460 -12.651 1.00 64.05 H new ATOM 0 HG22 THR A 506 -1.751 -6.172 -12.317 1.00 64.05 H new ATOM 0 HG23 THR A 506 -2.263 -6.739 -13.924 1.00 64.05 H new ATOM 88 N PHE A 507 -0.935 -9.952 -14.781 1.00 31.44 N ATOM 89 CA PHE A 507 -0.835 -10.113 -16.221 1.00 32.32 C ATOM 90 C PHE A 507 -1.818 -9.191 -16.925 1.00 4.35 C ATOM 91 O PHE A 507 -2.848 -8.790 -16.330 1.00 24.34 O ATOM 92 CB PHE A 507 -1.127 -11.561 -16.632 1.00 45.11 C ATOM 93 CG PHE A 507 -0.090 -12.547 -16.210 1.00 31.33 C ATOM 94 CD1 PHE A 507 1.116 -12.594 -16.860 1.00 11.52 C ATOM 95 CD2 PHE A 507 -0.319 -13.423 -15.170 1.00 74.12 C ATOM 96 CE1 PHE A 507 2.078 -13.490 -16.494 1.00 63.54 C ATOM 97 CE2 PHE A 507 0.642 -14.329 -14.787 1.00 32.51 C ATOM 98 CZ PHE A 507 1.845 -14.364 -15.453 1.00 31.34 C ATOM 0 H PHE A 507 -1.305 -10.770 -14.297 1.00 31.44 H new ATOM 0 HA PHE A 507 0.183 -9.858 -16.514 1.00 32.32 H new ATOM 0 HB2 PHE A 507 -2.086 -11.859 -16.209 1.00 45.11 H new ATOM 0 HB3 PHE A 507 -1.230 -11.603 -17.716 1.00 45.11 H new ATOM 0 HD1 PHE A 507 1.308 -11.911 -17.675 1.00 11.52 H new ATOM 0 HD2 PHE A 507 -1.265 -13.397 -14.650 1.00 74.12 H new ATOM 0 HE1 PHE A 507 3.021 -13.515 -17.019 1.00 63.54 H new ATOM 0 HE2 PHE A 507 0.453 -15.008 -13.969 1.00 32.51 H new ATOM 0 HZ PHE A 507 2.605 -15.074 -15.162 1.00 31.34 H new ATOM 108 N GLU A 508 -1.496 -8.831 -18.163 1.00 74.44 N ATOM 109 CA GLU A 508 -2.372 -8.011 -19.001 1.00 22.40 C ATOM 110 C GLU A 508 -3.708 -8.712 -19.157 1.00 21.40 C ATOM 111 O GLU A 508 -4.753 -8.167 -18.818 1.00 53.24 O ATOM 112 CB GLU A 508 -1.759 -7.821 -20.386 1.00 25.23 C ATOM 113 CG GLU A 508 -0.390 -7.189 -20.389 1.00 41.13 C ATOM 114 CD GLU A 508 0.188 -7.102 -21.773 1.00 42.03 C ATOM 115 OE1 GLU A 508 0.724 -8.118 -22.270 1.00 0.25 O ATOM 116 OE2 GLU A 508 0.133 -6.021 -22.390 1.00 2.40 O ATOM 0 H GLU A 508 -0.622 -9.098 -18.616 1.00 74.44 H new ATOM 0 HA GLU A 508 -2.501 -7.038 -18.527 1.00 22.40 H new ATOM 0 HB2 GLU A 508 -1.697 -8.792 -20.877 1.00 25.23 H new ATOM 0 HB3 GLU A 508 -2.430 -7.204 -20.984 1.00 25.23 H new ATOM 0 HG2 GLU A 508 -0.451 -6.189 -19.959 1.00 41.13 H new ATOM 0 HG3 GLU A 508 0.278 -7.769 -19.753 1.00 41.13 H new ATOM 123 N GLU A 509 -3.639 -9.933 -19.626 1.00 5.13 N ATOM 124 CA GLU A 509 -4.794 -10.773 -19.827 1.00 33.41 C ATOM 125 C GLU A 509 -4.565 -12.093 -19.133 1.00 44.15 C ATOM 126 O GLU A 509 -3.417 -12.456 -18.883 1.00 21.34 O ATOM 127 CB GLU A 509 -5.074 -10.990 -21.317 1.00 71.12 C ATOM 128 CG GLU A 509 -5.739 -9.815 -21.998 1.00 31.04 C ATOM 129 CD GLU A 509 -7.159 -9.561 -21.515 1.00 4.34 C ATOM 130 OE1 GLU A 509 -7.343 -8.902 -20.477 1.00 72.32 O ATOM 131 OE2 GLU A 509 -8.125 -9.987 -22.209 1.00 34.31 O ATOM 0 H GLU A 509 -2.760 -10.380 -19.884 1.00 5.13 H new ATOM 0 HA GLU A 509 -5.669 -10.280 -19.403 1.00 33.41 H new ATOM 0 HB2 GLU A 509 -4.134 -11.206 -21.825 1.00 71.12 H new ATOM 0 HB3 GLU A 509 -5.708 -11.869 -21.432 1.00 71.12 H new ATOM 0 HG2 GLU A 509 -5.140 -8.920 -21.829 1.00 31.04 H new ATOM 0 HG3 GLU A 509 -5.755 -9.989 -23.074 1.00 31.04 H new ATOM 138 N PRO A 510 -5.635 -12.825 -18.795 1.00 34.33 N ATOM 139 CA PRO A 510 -5.522 -14.085 -18.094 1.00 20.11 C ATOM 140 C PRO A 510 -5.375 -15.285 -19.038 1.00 15.41 C ATOM 141 O PRO A 510 -5.026 -16.381 -18.605 1.00 72.23 O ATOM 142 CB PRO A 510 -6.842 -14.176 -17.310 1.00 61.24 C ATOM 143 CG PRO A 510 -7.802 -13.219 -17.974 1.00 62.35 C ATOM 144 CD PRO A 510 -7.045 -12.473 -19.048 1.00 34.12 C ATOM 0 HA PRO A 510 -4.630 -14.116 -17.468 1.00 20.11 H new ATOM 0 HB2 PRO A 510 -7.234 -15.193 -17.327 1.00 61.24 H new ATOM 0 HB3 PRO A 510 -6.691 -13.910 -16.264 1.00 61.24 H new ATOM 0 HG2 PRO A 510 -8.643 -13.761 -18.406 1.00 62.35 H new ATOM 0 HG3 PRO A 510 -8.213 -12.523 -17.243 1.00 62.35 H new ATOM 0 HD2 PRO A 510 -7.361 -12.779 -20.045 1.00 34.12 H new ATOM 0 HD3 PRO A 510 -7.207 -11.397 -18.978 1.00 34.12 H new ATOM 152 N VAL A 511 -5.648 -15.077 -20.318 1.00 1.42 N ATOM 153 CA VAL A 511 -5.597 -16.134 -21.315 1.00 30.03 C ATOM 154 C VAL A 511 -5.066 -15.576 -22.625 1.00 35.34 C ATOM 155 O VAL A 511 -5.453 -14.484 -23.041 1.00 40.20 O ATOM 156 CB VAL A 511 -7.011 -16.774 -21.574 1.00 1.31 C ATOM 157 CG1 VAL A 511 -6.945 -17.785 -22.687 1.00 1.01 C ATOM 158 CG2 VAL A 511 -7.543 -17.454 -20.339 1.00 10.12 C ATOM 0 H VAL A 511 -5.912 -14.167 -20.695 1.00 1.42 H new ATOM 0 HA VAL A 511 -4.937 -16.911 -20.930 1.00 30.03 H new ATOM 0 HB VAL A 511 -7.681 -15.960 -21.852 1.00 1.31 H new ATOM 0 HG11 VAL A 511 -7.934 -18.214 -22.848 1.00 1.01 H new ATOM 0 HG12 VAL A 511 -6.608 -17.298 -23.602 1.00 1.01 H new ATOM 0 HG13 VAL A 511 -6.245 -18.577 -22.418 1.00 1.01 H new ATOM 0 HG21 VAL A 511 -8.521 -17.885 -20.554 1.00 10.12 H new ATOM 0 HG22 VAL A 511 -6.857 -18.245 -20.035 1.00 10.12 H new ATOM 0 HG23 VAL A 511 -7.636 -16.725 -19.534 1.00 10.12 H new ATOM 168 N THR A 512 -4.150 -16.279 -23.224 1.00 22.31 N ATOM 169 CA THR A 512 -3.646 -15.918 -24.515 1.00 3.42 C ATOM 170 C THR A 512 -3.577 -17.171 -25.414 1.00 11.13 C ATOM 171 O THR A 512 -3.138 -18.252 -24.972 1.00 51.55 O ATOM 172 CB THR A 512 -2.269 -15.177 -24.421 1.00 43.40 C ATOM 173 OG1 THR A 512 -1.822 -14.750 -25.719 1.00 50.03 O ATOM 174 CG2 THR A 512 -1.208 -16.053 -23.788 1.00 64.32 C ATOM 0 H THR A 512 -3.731 -17.121 -22.829 1.00 22.31 H new ATOM 0 HA THR A 512 -4.334 -15.207 -24.971 1.00 3.42 H new ATOM 0 HB THR A 512 -2.423 -14.302 -23.789 1.00 43.40 H new ATOM 0 HG1 THR A 512 -0.962 -14.289 -25.633 1.00 50.03 H new ATOM 0 HG21 THR A 512 -0.266 -15.506 -23.739 1.00 64.32 H new ATOM 0 HG22 THR A 512 -1.519 -16.331 -22.781 1.00 64.32 H new ATOM 0 HG23 THR A 512 -1.074 -16.953 -24.388 1.00 64.32 H new ATOM 182 N HIS A 513 -4.061 -17.050 -26.628 1.00 50.21 N ATOM 183 CA HIS A 513 -4.033 -18.144 -27.585 1.00 42.43 C ATOM 184 C HIS A 513 -3.017 -17.813 -28.655 1.00 5.44 C ATOM 185 O HIS A 513 -3.206 -16.868 -29.434 1.00 41.24 O ATOM 186 CB HIS A 513 -5.406 -18.344 -28.243 1.00 4.41 C ATOM 187 CG HIS A 513 -6.539 -18.620 -27.298 1.00 44.04 C ATOM 188 ND1 HIS A 513 -7.340 -17.639 -26.751 1.00 64.13 N ATOM 189 CD2 HIS A 513 -7.013 -19.796 -26.820 1.00 10.24 C ATOM 190 CE1 HIS A 513 -8.249 -18.230 -25.979 1.00 2.50 C ATOM 191 NE2 HIS A 513 -8.098 -19.548 -25.982 1.00 53.24 N ATOM 0 H HIS A 513 -4.486 -16.194 -26.985 1.00 50.21 H new ATOM 0 HA HIS A 513 -3.769 -19.064 -27.063 1.00 42.43 H new ATOM 0 HB2 HIS A 513 -5.646 -17.452 -28.821 1.00 4.41 H new ATOM 0 HB3 HIS A 513 -5.335 -19.171 -28.949 1.00 4.41 H new ATOM 0 HD2 HIS A 513 -6.613 -20.772 -27.052 1.00 10.24 H new ATOM 0 HE1 HIS A 513 -9.011 -17.705 -25.422 1.00 2.50 H new ATOM 0 HE2 HIS A 513 -8.658 -20.235 -25.477 1.00 53.24 H new ATOM 199 N VAL A 514 -1.946 -18.549 -28.691 1.00 21.12 N ATOM 200 CA VAL A 514 -0.884 -18.293 -29.628 1.00 1.51 C ATOM 201 C VAL A 514 -0.638 -19.506 -30.516 1.00 14.45 C ATOM 202 O VAL A 514 -1.078 -20.621 -30.212 1.00 10.31 O ATOM 203 CB VAL A 514 0.434 -17.836 -28.925 1.00 25.24 C ATOM 204 CG1 VAL A 514 0.253 -16.470 -28.270 1.00 30.13 C ATOM 205 CG2 VAL A 514 0.876 -18.853 -27.881 1.00 54.31 C ATOM 0 H VAL A 514 -1.781 -19.344 -28.074 1.00 21.12 H new ATOM 0 HA VAL A 514 -1.209 -17.465 -30.258 1.00 1.51 H new ATOM 0 HB VAL A 514 1.207 -17.761 -29.690 1.00 25.24 H new ATOM 0 HG11 VAL A 514 1.183 -16.172 -27.787 1.00 30.13 H new ATOM 0 HG12 VAL A 514 -0.013 -15.735 -29.029 1.00 30.13 H new ATOM 0 HG13 VAL A 514 -0.541 -16.526 -27.525 1.00 30.13 H new ATOM 0 HG21 VAL A 514 1.796 -18.511 -27.406 1.00 54.31 H new ATOM 0 HG22 VAL A 514 0.097 -18.962 -27.126 1.00 54.31 H new ATOM 0 HG23 VAL A 514 1.052 -19.815 -28.362 1.00 54.31 H new ATOM 215 N SER A 515 0.033 -19.291 -31.608 1.00 52.55 N ATOM 216 CA SER A 515 0.300 -20.335 -32.559 1.00 63.52 C ATOM 217 C SER A 515 1.423 -21.256 -32.096 1.00 32.22 C ATOM 218 O SER A 515 2.328 -20.834 -31.391 1.00 3.34 O ATOM 219 CB SER A 515 0.657 -19.707 -33.892 1.00 23.11 C ATOM 220 OG SER A 515 -0.376 -18.841 -34.336 1.00 31.12 O ATOM 0 H SER A 515 0.414 -18.381 -31.868 1.00 52.55 H new ATOM 0 HA SER A 515 -0.597 -20.947 -32.657 1.00 63.52 H new ATOM 0 HB2 SER A 515 1.589 -19.150 -33.798 1.00 23.11 H new ATOM 0 HB3 SER A 515 0.826 -20.488 -34.633 1.00 23.11 H new ATOM 0 HG SER A 515 -0.124 -18.446 -35.197 1.00 31.12 H new ATOM 226 N GLU A 516 1.355 -22.515 -32.500 1.00 31.11 N ATOM 227 CA GLU A 516 2.408 -23.484 -32.196 1.00 31.11 C ATOM 228 C GLU A 516 3.726 -23.069 -32.876 1.00 31.11 C ATOM 229 O GLU A 516 4.809 -23.344 -32.383 1.00 22.35 O ATOM 230 CB GLU A 516 1.988 -24.901 -32.649 1.00 5.33 C ATOM 231 CG GLU A 516 1.707 -25.027 -34.147 1.00 64.13 C ATOM 232 CD GLU A 516 1.311 -26.425 -34.567 1.00 21.11 C ATOM 233 OE1 GLU A 516 2.197 -27.295 -34.717 1.00 3.54 O ATOM 234 OE2 GLU A 516 0.099 -26.674 -34.783 1.00 24.13 O ATOM 0 H GLU A 516 0.579 -22.895 -33.042 1.00 31.11 H new ATOM 0 HA GLU A 516 2.563 -23.501 -31.117 1.00 31.11 H new ATOM 0 HB2 GLU A 516 2.776 -25.604 -32.379 1.00 5.33 H new ATOM 0 HB3 GLU A 516 1.095 -25.196 -32.098 1.00 5.33 H new ATOM 0 HG2 GLU A 516 0.911 -24.334 -34.420 1.00 64.13 H new ATOM 0 HG3 GLU A 516 2.595 -24.726 -34.703 1.00 64.13 H new ATOM 241 N SER A 517 3.602 -22.355 -33.983 1.00 3.02 N ATOM 242 CA SER A 517 4.740 -21.930 -34.770 1.00 53.31 C ATOM 243 C SER A 517 4.943 -20.400 -34.676 1.00 0.21 C ATOM 244 O SER A 517 5.483 -19.787 -35.594 1.00 73.12 O ATOM 245 CB SER A 517 4.465 -22.314 -36.215 1.00 72.51 C ATOM 246 OG SER A 517 4.015 -23.671 -36.300 1.00 43.31 O ATOM 0 H SER A 517 2.703 -22.054 -34.360 1.00 3.02 H new ATOM 0 HA SER A 517 5.644 -22.410 -34.396 1.00 53.31 H new ATOM 0 HB2 SER A 517 3.712 -21.648 -36.637 1.00 72.51 H new ATOM 0 HB3 SER A 517 5.370 -22.188 -36.809 1.00 72.51 H new ATOM 0 HG SER A 517 3.841 -23.900 -37.237 1.00 43.31 H new ATOM 252 N ILE A 518 4.538 -19.792 -33.557 1.00 50.14 N ATOM 253 CA ILE A 518 4.660 -18.331 -33.413 1.00 40.31 C ATOM 254 C ILE A 518 6.112 -17.915 -33.107 1.00 13.34 C ATOM 255 O ILE A 518 6.550 -16.819 -33.466 1.00 63.35 O ATOM 256 CB ILE A 518 3.701 -17.760 -32.312 1.00 3.04 C ATOM 257 CG1 ILE A 518 3.767 -16.222 -32.275 1.00 50.11 C ATOM 258 CG2 ILE A 518 4.016 -18.351 -30.942 1.00 2.44 C ATOM 259 CD1 ILE A 518 2.895 -15.592 -31.221 1.00 22.32 C ATOM 0 H ILE A 518 4.132 -20.271 -32.753 1.00 50.14 H new ATOM 0 HA ILE A 518 4.364 -17.904 -34.371 1.00 40.31 H new ATOM 0 HB ILE A 518 2.684 -18.052 -32.572 1.00 3.04 H new ATOM 0 HG12 ILE A 518 4.800 -15.918 -32.106 1.00 50.11 H new ATOM 0 HG13 ILE A 518 3.476 -15.833 -33.251 1.00 50.11 H new ATOM 0 HG21 ILE A 518 3.334 -17.935 -30.201 1.00 2.44 H new ATOM 0 HG22 ILE A 518 3.897 -19.434 -30.977 1.00 2.44 H new ATOM 0 HG23 ILE A 518 5.042 -18.107 -30.668 1.00 2.44 H new ATOM 0 HD11 ILE A 518 3.000 -14.508 -31.262 1.00 22.32 H new ATOM 0 HD12 ILE A 518 1.854 -15.863 -31.400 1.00 22.32 H new ATOM 0 HD13 ILE A 518 3.199 -15.949 -30.237 1.00 22.32 H new ATOM 271 N GLY A 519 6.846 -18.798 -32.473 1.00 4.14 N ATOM 272 CA GLY A 519 8.186 -18.486 -32.072 1.00 75.41 C ATOM 273 C GLY A 519 8.227 -18.007 -30.640 1.00 10.32 C ATOM 274 O GLY A 519 8.546 -18.773 -29.725 1.00 73.54 O ATOM 0 H GLY A 519 6.533 -19.737 -32.226 1.00 4.14 H new ATOM 0 HA2 GLY A 519 8.817 -19.368 -32.182 1.00 75.41 H new ATOM 0 HA3 GLY A 519 8.596 -17.718 -32.728 1.00 75.41 H new ATOM 278 N ILE A 520 7.852 -16.770 -30.432 1.00 12.54 N ATOM 279 CA ILE A 520 7.872 -16.159 -29.115 1.00 54.01 C ATOM 280 C ILE A 520 6.522 -15.516 -28.886 1.00 31.25 C ATOM 281 O ILE A 520 5.887 -15.073 -29.830 1.00 31.02 O ATOM 282 CB ILE A 520 8.966 -15.022 -29.012 1.00 25.22 C ATOM 283 CG1 ILE A 520 10.363 -15.516 -29.415 1.00 10.51 C ATOM 284 CG2 ILE A 520 9.019 -14.420 -27.612 1.00 2.45 C ATOM 285 CD1 ILE A 520 10.928 -16.587 -28.515 1.00 12.43 C ATOM 0 H ILE A 520 7.521 -16.150 -31.172 1.00 12.54 H new ATOM 0 HA ILE A 520 8.100 -16.930 -28.379 1.00 54.01 H new ATOM 0 HB ILE A 520 8.664 -14.249 -29.719 1.00 25.22 H new ATOM 0 HG12 ILE A 520 10.319 -15.900 -30.434 1.00 10.51 H new ATOM 0 HG13 ILE A 520 11.047 -14.667 -29.423 1.00 10.51 H new ATOM 0 HG21 ILE A 520 9.782 -13.642 -27.579 1.00 2.45 H new ATOM 0 HG22 ILE A 520 8.049 -13.988 -27.365 1.00 2.45 H new ATOM 0 HG23 ILE A 520 9.264 -15.199 -26.890 1.00 2.45 H new ATOM 0 HD11 ILE A 520 11.916 -16.878 -28.872 1.00 12.43 H new ATOM 0 HD12 ILE A 520 11.008 -16.203 -27.498 1.00 12.43 H new ATOM 0 HD13 ILE A 520 10.269 -17.455 -28.524 1.00 12.43 H new ATOM 297 N MET A 521 6.071 -15.521 -27.672 1.00 31.14 N ATOM 298 CA MET A 521 4.887 -14.804 -27.303 1.00 20.23 C ATOM 299 C MET A 521 5.294 -13.789 -26.247 1.00 13.14 C ATOM 300 O MET A 521 6.308 -13.992 -25.561 1.00 73.14 O ATOM 301 CB MET A 521 3.786 -15.774 -26.829 1.00 51.40 C ATOM 302 CG MET A 521 4.188 -16.665 -25.671 1.00 65.43 C ATOM 303 SD MET A 521 4.143 -15.844 -24.072 1.00 63.21 S ATOM 304 CE MET A 521 2.394 -15.701 -23.820 1.00 45.41 C ATOM 0 H MET A 521 6.514 -16.024 -26.903 1.00 31.14 H new ATOM 0 HA MET A 521 4.453 -14.277 -28.153 1.00 20.23 H new ATOM 0 HB2 MET A 521 2.910 -15.195 -26.538 1.00 51.40 H new ATOM 0 HB3 MET A 521 3.488 -16.403 -27.668 1.00 51.40 H new ATOM 0 HG2 MET A 521 3.525 -17.530 -25.643 1.00 65.43 H new ATOM 0 HG3 MET A 521 5.196 -17.041 -25.847 1.00 65.43 H new ATOM 0 HE1 MET A 521 2.198 -15.410 -22.788 1.00 45.41 H new ATOM 0 HE2 MET A 521 1.990 -14.945 -24.493 1.00 45.41 H new ATOM 0 HE3 MET A 521 1.917 -16.660 -24.023 1.00 45.41 H new ATOM 314 N GLU A 522 4.563 -12.706 -26.140 1.00 1.43 N ATOM 315 CA GLU A 522 4.914 -11.638 -25.236 1.00 74.23 C ATOM 316 C GLU A 522 3.749 -11.270 -24.349 1.00 73.13 C ATOM 317 O GLU A 522 2.657 -10.968 -24.848 1.00 34.13 O ATOM 318 CB GLU A 522 5.309 -10.365 -25.991 1.00 34.34 C ATOM 319 CG GLU A 522 6.498 -10.456 -26.927 1.00 21.33 C ATOM 320 CD GLU A 522 6.165 -11.058 -28.280 1.00 33.44 C ATOM 321 OE1 GLU A 522 5.075 -10.761 -28.830 1.00 64.53 O ATOM 322 OE2 GLU A 522 6.983 -11.819 -28.823 1.00 3.33 O ATOM 0 H GLU A 522 3.711 -12.540 -26.675 1.00 1.43 H new ATOM 0 HA GLU A 522 5.753 -12.008 -24.647 1.00 74.23 H new ATOM 0 HB2 GLU A 522 4.447 -10.035 -26.571 1.00 34.34 H new ATOM 0 HB3 GLU A 522 5.516 -9.587 -25.256 1.00 34.34 H new ATOM 0 HG2 GLU A 522 6.910 -9.458 -27.075 1.00 21.33 H new ATOM 0 HG3 GLU A 522 7.276 -11.055 -26.454 1.00 21.33 H new ATOM 329 N VAL A 523 3.975 -11.272 -23.061 1.00 10.54 N ATOM 330 CA VAL A 523 2.984 -10.816 -22.095 1.00 44.41 C ATOM 331 C VAL A 523 3.654 -9.911 -21.083 1.00 45.41 C ATOM 332 O VAL A 523 4.726 -10.239 -20.573 1.00 55.31 O ATOM 333 CB VAL A 523 2.263 -11.999 -21.371 1.00 40.42 C ATOM 334 CG1 VAL A 523 1.421 -11.509 -20.196 1.00 24.40 C ATOM 335 CG2 VAL A 523 1.368 -12.731 -22.345 1.00 64.01 C ATOM 0 H VAL A 523 4.850 -11.588 -22.642 1.00 10.54 H new ATOM 0 HA VAL A 523 2.215 -10.268 -22.640 1.00 44.41 H new ATOM 0 HB VAL A 523 3.033 -12.669 -20.990 1.00 40.42 H new ATOM 0 HG11 VAL A 523 0.935 -12.359 -19.717 1.00 24.40 H new ATOM 0 HG12 VAL A 523 2.063 -11.004 -19.474 1.00 24.40 H new ATOM 0 HG13 VAL A 523 0.663 -10.813 -20.557 1.00 24.40 H new ATOM 0 HG21 VAL A 523 0.869 -13.554 -21.833 1.00 64.01 H new ATOM 0 HG22 VAL A 523 0.621 -12.043 -22.740 1.00 64.01 H new ATOM 0 HG23 VAL A 523 1.968 -13.125 -23.165 1.00 64.01 H new ATOM 345 N LYS A 524 3.066 -8.767 -20.832 1.00 54.33 N ATOM 346 CA LYS A 524 3.617 -7.841 -19.868 1.00 62.54 C ATOM 347 C LYS A 524 3.040 -8.112 -18.495 1.00 3.44 C ATOM 348 O LYS A 524 1.896 -8.587 -18.359 1.00 23.30 O ATOM 349 CB LYS A 524 3.276 -6.395 -20.213 1.00 61.14 C ATOM 350 CG LYS A 524 3.651 -5.931 -21.596 1.00 54.02 C ATOM 351 CD LYS A 524 3.271 -4.475 -21.753 1.00 14.34 C ATOM 352 CE LYS A 524 3.420 -3.986 -23.175 1.00 41.10 C ATOM 353 NZ LYS A 524 2.501 -4.683 -24.108 1.00 23.40 N ATOM 0 H LYS A 524 2.206 -8.453 -21.281 1.00 54.33 H new ATOM 0 HA LYS A 524 4.698 -7.982 -19.883 1.00 62.54 H new ATOM 0 HB2 LYS A 524 2.202 -6.257 -20.086 1.00 61.14 H new ATOM 0 HB3 LYS A 524 3.769 -5.746 -19.489 1.00 61.14 H new ATOM 0 HG2 LYS A 524 4.721 -6.059 -21.758 1.00 54.02 H new ATOM 0 HG3 LYS A 524 3.141 -6.535 -22.346 1.00 54.02 H new ATOM 0 HD2 LYS A 524 2.239 -4.336 -21.431 1.00 14.34 H new ATOM 0 HD3 LYS A 524 3.894 -3.868 -21.097 1.00 14.34 H new ATOM 0 HE2 LYS A 524 3.226 -2.914 -23.211 1.00 41.10 H new ATOM 0 HE3 LYS A 524 4.449 -4.135 -23.502 1.00 41.10 H new ATOM 0 HZ1 LYS A 524 2.130 -4.003 -24.802 1.00 23.40 H new ATOM 0 HZ2 LYS A 524 3.017 -5.438 -24.604 1.00 23.40 H new ATOM 0 HZ3 LYS A 524 1.711 -5.097 -23.573 1.00 23.40 H new ATOM 367 N VAL A 525 3.810 -7.807 -17.500 1.00 2.51 N ATOM 368 CA VAL A 525 3.349 -7.855 -16.145 1.00 14.22 C ATOM 369 C VAL A 525 3.118 -6.421 -15.734 1.00 54.53 C ATOM 370 O VAL A 525 4.050 -5.627 -15.677 1.00 22.23 O ATOM 371 CB VAL A 525 4.364 -8.531 -15.189 1.00 61.14 C ATOM 372 CG1 VAL A 525 3.829 -8.556 -13.767 1.00 4.14 C ATOM 373 CG2 VAL A 525 4.676 -9.940 -15.655 1.00 64.40 C ATOM 0 H VAL A 525 4.782 -7.516 -17.603 1.00 2.51 H new ATOM 0 HA VAL A 525 2.443 -8.457 -16.082 1.00 14.22 H new ATOM 0 HB VAL A 525 5.284 -7.946 -15.202 1.00 61.14 H new ATOM 0 HG11 VAL A 525 4.557 -9.035 -13.113 1.00 4.14 H new ATOM 0 HG12 VAL A 525 3.651 -7.536 -13.427 1.00 4.14 H new ATOM 0 HG13 VAL A 525 2.894 -9.115 -13.740 1.00 4.14 H new ATOM 0 HG21 VAL A 525 5.390 -10.399 -14.972 1.00 64.40 H new ATOM 0 HG22 VAL A 525 3.759 -10.529 -15.671 1.00 64.40 H new ATOM 0 HG23 VAL A 525 5.103 -9.906 -16.657 1.00 64.40 H new ATOM 383 N LEU A 526 1.897 -6.087 -15.506 1.00 55.14 N ATOM 384 CA LEU A 526 1.526 -4.736 -15.217 1.00 4.12 C ATOM 385 C LEU A 526 1.533 -4.501 -13.723 1.00 64.42 C ATOM 386 O LEU A 526 1.041 -5.340 -12.950 1.00 64.03 O ATOM 387 CB LEU A 526 0.143 -4.452 -15.803 1.00 45.54 C ATOM 388 CG LEU A 526 -0.007 -4.676 -17.318 1.00 44.42 C ATOM 389 CD1 LEU A 526 -1.445 -4.455 -17.753 1.00 54.11 C ATOM 390 CD2 LEU A 526 0.933 -3.763 -18.098 1.00 64.44 C ATOM 0 H LEU A 526 1.117 -6.744 -15.513 1.00 55.14 H new ATOM 0 HA LEU A 526 2.248 -4.057 -15.670 1.00 4.12 H new ATOM 0 HB2 LEU A 526 -0.584 -5.081 -15.289 1.00 45.54 H new ATOM 0 HB3 LEU A 526 -0.118 -3.417 -15.581 1.00 45.54 H new ATOM 0 HG LEU A 526 0.264 -5.709 -17.535 1.00 44.42 H new ATOM 0 HD11 LEU A 526 -1.529 -4.618 -18.827 1.00 54.11 H new ATOM 0 HD12 LEU A 526 -2.096 -5.154 -17.228 1.00 54.11 H new ATOM 0 HD13 LEU A 526 -1.744 -3.434 -17.517 1.00 54.11 H new ATOM 0 HD21 LEU A 526 0.809 -3.940 -19.166 1.00 64.44 H new ATOM 0 HD22 LEU A 526 0.699 -2.722 -17.873 1.00 64.44 H new ATOM 0 HD23 LEU A 526 1.964 -3.973 -17.813 1.00 64.44 H new ATOM 402 N ARG A 527 2.107 -3.394 -13.315 1.00 44.11 N ATOM 403 CA ARG A 527 2.161 -3.037 -11.928 1.00 22.22 C ATOM 404 C ARG A 527 1.177 -1.893 -11.697 1.00 30.30 C ATOM 405 O ARG A 527 1.439 -0.739 -12.037 1.00 43.21 O ATOM 406 CB ARG A 527 3.615 -2.688 -11.562 1.00 31.14 C ATOM 407 CG ARG A 527 3.906 -2.424 -10.092 1.00 53.04 C ATOM 408 CD ARG A 527 5.421 -2.424 -9.870 1.00 71.01 C ATOM 409 NE ARG A 527 5.825 -2.058 -8.496 1.00 40.33 N ATOM 410 CZ ARG A 527 7.089 -2.086 -8.016 1.00 23.35 C ATOM 411 NH1 ARG A 527 8.104 -2.510 -8.796 1.00 33.13 N ATOM 412 NH2 ARG A 527 7.331 -1.678 -6.770 1.00 15.03 N ATOM 0 H ARG A 527 2.548 -2.719 -13.940 1.00 44.11 H new ATOM 0 HA ARG A 527 1.865 -3.858 -11.275 1.00 22.22 H new ATOM 0 HB2 ARG A 527 4.255 -3.506 -11.894 1.00 31.14 H new ATOM 0 HB3 ARG A 527 3.906 -1.805 -12.130 1.00 31.14 H new ATOM 0 HG2 ARG A 527 3.483 -1.466 -9.792 1.00 53.04 H new ATOM 0 HG3 ARG A 527 3.436 -3.188 -9.473 1.00 53.04 H new ATOM 0 HD2 ARG A 527 5.812 -3.415 -10.102 1.00 71.01 H new ATOM 0 HD3 ARG A 527 5.881 -1.728 -10.571 1.00 71.01 H new ATOM 0 HE ARG A 527 5.089 -1.759 -7.856 1.00 40.33 H new ATOM 0 HH11 ARG A 527 7.920 -2.812 -9.753 1.00 33.13 H new ATOM 0 HH12 ARG A 527 9.056 -2.529 -8.429 1.00 33.13 H new ATOM 0 HH21 ARG A 527 6.565 -1.347 -6.184 1.00 15.03 H new ATOM 0 HH22 ARG A 527 8.282 -1.697 -6.403 1.00 15.03 H new ATOM 426 N THR A 528 0.044 -2.251 -11.129 1.00 71.35 N ATOM 427 CA THR A 528 -1.106 -1.372 -10.969 1.00 22.14 C ATOM 428 C THR A 528 -0.858 -0.188 -10.019 1.00 33.50 C ATOM 429 O THR A 528 -1.176 0.957 -10.345 1.00 12.15 O ATOM 430 CB THR A 528 -2.304 -2.190 -10.460 1.00 24.22 C ATOM 431 OG1 THR A 528 -2.358 -3.428 -11.186 1.00 2.15 O ATOM 432 CG2 THR A 528 -3.612 -1.435 -10.668 1.00 5.24 C ATOM 0 H THR A 528 -0.111 -3.187 -10.754 1.00 71.35 H new ATOM 0 HA THR A 528 -1.307 -0.944 -11.951 1.00 22.14 H new ATOM 0 HB THR A 528 -2.176 -2.371 -9.393 1.00 24.22 H new ATOM 0 HG1 THR A 528 -3.118 -3.960 -10.869 1.00 2.15 H new ATOM 0 HG21 THR A 528 -4.442 -2.037 -10.299 1.00 5.24 H new ATOM 0 HG22 THR A 528 -3.578 -0.491 -10.124 1.00 5.24 H new ATOM 0 HG23 THR A 528 -3.752 -1.236 -11.730 1.00 5.24 H new ATOM 440 N SER A 529 -0.299 -0.467 -8.867 1.00 30.22 N ATOM 441 CA SER A 529 -0.138 0.534 -7.846 1.00 44.30 C ATOM 442 C SER A 529 0.887 1.612 -8.209 1.00 45.42 C ATOM 443 O SER A 529 0.592 2.811 -8.145 1.00 42.10 O ATOM 444 CB SER A 529 0.183 -0.149 -6.534 1.00 22.33 C ATOM 445 OG SER A 529 1.144 -1.183 -6.726 1.00 62.12 O ATOM 0 H SER A 529 0.055 -1.389 -8.613 1.00 30.22 H new ATOM 0 HA SER A 529 -1.079 1.075 -7.748 1.00 44.30 H new ATOM 0 HB2 SER A 529 0.566 0.582 -5.822 1.00 22.33 H new ATOM 0 HB3 SER A 529 -0.727 -0.567 -6.104 1.00 22.33 H new ATOM 0 HG SER A 529 1.340 -1.611 -5.867 1.00 62.12 H new ATOM 451 N GLY A 530 2.047 1.195 -8.597 1.00 10.41 N ATOM 452 CA GLY A 530 3.101 2.109 -8.929 1.00 43.34 C ATOM 453 C GLY A 530 4.398 1.419 -8.754 1.00 30.45 C ATOM 454 O GLY A 530 4.407 0.286 -8.245 1.00 42.41 O ATOM 0 H GLY A 530 2.296 0.211 -8.694 1.00 10.41 H new ATOM 0 HA2 GLY A 530 2.992 2.454 -9.957 1.00 43.34 H new ATOM 0 HA3 GLY A 530 3.052 2.991 -8.290 1.00 43.34 H new ATOM 458 N ALA A 531 5.481 2.048 -9.148 1.00 65.40 N ATOM 459 CA ALA A 531 6.772 1.420 -9.074 1.00 4.23 C ATOM 460 C ALA A 531 7.888 2.414 -8.862 1.00 15.02 C ATOM 461 O ALA A 531 8.057 3.352 -9.656 1.00 63.43 O ATOM 462 CB ALA A 531 7.042 0.640 -10.343 1.00 60.25 C ATOM 0 H ALA A 531 5.490 2.996 -9.523 1.00 65.40 H new ATOM 0 HA ALA A 531 6.749 0.753 -8.212 1.00 4.23 H new ATOM 0 HB1 ALA A 531 8.022 0.168 -10.278 1.00 60.25 H new ATOM 0 HB2 ALA A 531 6.277 -0.127 -10.469 1.00 60.25 H new ATOM 0 HB3 ALA A 531 7.021 1.317 -11.197 1.00 60.25 H new ATOM 468 N ARG A 532 8.620 2.242 -7.795 1.00 33.12 N ATOM 469 CA ARG A 532 9.824 3.000 -7.573 1.00 43.33 C ATOM 470 C ARG A 532 10.718 2.223 -6.627 1.00 64.35 C ATOM 471 O ARG A 532 10.398 2.061 -5.452 1.00 72.10 O ATOM 472 CB ARG A 532 9.526 4.441 -7.053 1.00 24.43 C ATOM 473 CG ARG A 532 10.747 5.384 -7.057 1.00 1.04 C ATOM 474 CD ARG A 532 11.710 5.098 -5.921 1.00 32.55 C ATOM 475 NE ARG A 532 13.002 5.753 -6.095 1.00 14.02 N ATOM 476 CZ ARG A 532 14.108 5.404 -5.429 1.00 33.32 C ATOM 477 NH1 ARG A 532 14.056 4.448 -4.493 1.00 74.11 N ATOM 478 NH2 ARG A 532 15.265 6.007 -5.692 1.00 15.35 N ATOM 0 H ARG A 532 8.400 1.574 -7.056 1.00 33.12 H new ATOM 0 HA ARG A 532 10.341 3.137 -8.523 1.00 43.33 H new ATOM 0 HB2 ARG A 532 8.740 4.881 -7.667 1.00 24.43 H new ATOM 0 HB3 ARG A 532 9.137 4.374 -6.037 1.00 24.43 H new ATOM 0 HG2 ARG A 532 11.273 5.287 -8.007 1.00 1.04 H new ATOM 0 HG3 ARG A 532 10.404 6.416 -6.986 1.00 1.04 H new ATOM 0 HD2 ARG A 532 11.265 5.427 -4.982 1.00 32.55 H new ATOM 0 HD3 ARG A 532 11.862 4.021 -5.842 1.00 32.55 H new ATOM 0 HE ARG A 532 13.065 6.521 -6.763 1.00 14.02 H new ATOM 0 HH11 ARG A 532 13.171 3.984 -4.286 1.00 74.11 H new ATOM 0 HH12 ARG A 532 14.901 4.184 -3.987 1.00 74.11 H new ATOM 0 HH21 ARG A 532 15.310 6.737 -6.403 1.00 15.35 H new ATOM 0 HH22 ARG A 532 16.107 5.739 -5.183 1.00 15.35 H new ATOM 492 N GLY A 533 11.810 1.738 -7.152 1.00 34.53 N ATOM 493 CA GLY A 533 12.775 0.998 -6.374 1.00 13.02 C ATOM 494 C GLY A 533 13.453 -0.017 -7.246 1.00 31.41 C ATOM 495 O GLY A 533 13.748 0.275 -8.404 1.00 75.04 O ATOM 0 H GLY A 533 12.060 1.844 -8.135 1.00 34.53 H new ATOM 0 HA2 GLY A 533 13.513 1.678 -5.949 1.00 13.02 H new ATOM 0 HA3 GLY A 533 12.280 0.502 -5.539 1.00 13.02 H new ATOM 499 N ASN A 534 13.736 -1.171 -6.707 1.00 33.11 N ATOM 500 CA ASN A 534 14.256 -2.282 -7.488 1.00 62.20 C ATOM 501 C ASN A 534 13.538 -3.533 -7.026 1.00 51.14 C ATOM 502 O ASN A 534 13.681 -3.928 -5.878 1.00 13.23 O ATOM 503 CB ASN A 534 15.774 -2.450 -7.318 1.00 14.12 C ATOM 504 CG ASN A 534 16.335 -3.500 -8.265 1.00 31.11 C ATOM 505 OD1 ASN A 534 16.360 -4.669 -7.960 1.00 32.03 O ATOM 506 ND2 ASN A 534 16.813 -3.088 -9.414 1.00 23.35 N ATOM 0 H ASN A 534 13.616 -1.377 -5.715 1.00 33.11 H new ATOM 0 HA ASN A 534 14.082 -2.092 -8.547 1.00 62.20 H new ATOM 0 HB2 ASN A 534 16.268 -1.496 -7.500 1.00 14.12 H new ATOM 0 HB3 ASN A 534 15.996 -2.733 -6.289 1.00 14.12 H new ATOM 0 HD21 ASN A 534 17.215 -3.759 -10.069 1.00 23.35 H new ATOM 0 HD22 ASN A 534 16.783 -2.097 -9.653 1.00 23.35 H new ATOM 513 N VAL A 535 12.727 -4.119 -7.865 1.00 35.41 N ATOM 514 CA VAL A 535 11.947 -5.280 -7.457 1.00 11.35 C ATOM 515 C VAL A 535 12.087 -6.424 -8.456 1.00 23.51 C ATOM 516 O VAL A 535 11.954 -6.225 -9.661 1.00 3.00 O ATOM 517 CB VAL A 535 10.439 -4.918 -7.268 1.00 52.31 C ATOM 518 CG1 VAL A 535 9.614 -6.131 -6.858 1.00 61.50 C ATOM 519 CG2 VAL A 535 10.273 -3.796 -6.247 1.00 42.40 C ATOM 0 H VAL A 535 12.582 -3.823 -8.830 1.00 35.41 H new ATOM 0 HA VAL A 535 12.346 -5.608 -6.497 1.00 11.35 H new ATOM 0 HB VAL A 535 10.067 -4.572 -8.233 1.00 52.31 H new ATOM 0 HG11 VAL A 535 8.571 -5.838 -6.737 1.00 61.50 H new ATOM 0 HG12 VAL A 535 9.688 -6.898 -7.628 1.00 61.50 H new ATOM 0 HG13 VAL A 535 9.992 -6.526 -5.915 1.00 61.50 H new ATOM 0 HG21 VAL A 535 9.215 -3.562 -6.133 1.00 42.40 H new ATOM 0 HG22 VAL A 535 10.680 -4.114 -5.287 1.00 42.40 H new ATOM 0 HG23 VAL A 535 10.806 -2.909 -6.591 1.00 42.40 H new ATOM 529 N ILE A 536 12.344 -7.604 -7.939 1.00 24.44 N ATOM 530 CA ILE A 536 12.493 -8.799 -8.741 1.00 24.22 C ATOM 531 C ILE A 536 11.223 -9.631 -8.644 1.00 32.44 C ATOM 532 O ILE A 536 10.850 -10.088 -7.559 1.00 64.12 O ATOM 533 CB ILE A 536 13.703 -9.661 -8.278 1.00 23.13 C ATOM 534 CG1 ILE A 536 15.021 -8.884 -8.408 1.00 33.44 C ATOM 535 CG2 ILE A 536 13.771 -10.972 -9.057 1.00 1.51 C ATOM 536 CD1 ILE A 536 15.387 -8.481 -9.824 1.00 72.45 C ATOM 0 H ILE A 536 12.457 -7.764 -6.938 1.00 24.44 H new ATOM 0 HA ILE A 536 12.673 -8.490 -9.771 1.00 24.22 H new ATOM 0 HB ILE A 536 13.555 -9.898 -7.225 1.00 23.13 H new ATOM 0 HG12 ILE A 536 14.958 -7.985 -7.795 1.00 33.44 H new ATOM 0 HG13 ILE A 536 15.827 -9.493 -7.999 1.00 33.44 H new ATOM 0 HG21 ILE A 536 14.625 -11.555 -8.714 1.00 1.51 H new ATOM 0 HG22 ILE A 536 12.855 -11.540 -8.894 1.00 1.51 H new ATOM 0 HG23 ILE A 536 13.881 -10.758 -10.120 1.00 1.51 H new ATOM 0 HD11 ILE A 536 16.332 -7.938 -9.815 1.00 72.45 H new ATOM 0 HD12 ILE A 536 15.487 -9.373 -10.442 1.00 72.45 H new ATOM 0 HD13 ILE A 536 14.605 -7.842 -10.234 1.00 72.45 H new ATOM 548 N VAL A 537 10.573 -9.794 -9.755 1.00 33.12 N ATOM 549 CA VAL A 537 9.348 -10.559 -9.862 1.00 30.31 C ATOM 550 C VAL A 537 9.661 -11.899 -10.516 1.00 54.42 C ATOM 551 O VAL A 537 10.062 -11.938 -11.686 1.00 20.01 O ATOM 552 CB VAL A 537 8.312 -9.822 -10.753 1.00 14.12 C ATOM 553 CG1 VAL A 537 6.959 -10.529 -10.732 1.00 75.23 C ATOM 554 CG2 VAL A 537 8.174 -8.375 -10.333 1.00 21.40 C ATOM 0 H VAL A 537 10.880 -9.392 -10.641 1.00 33.12 H new ATOM 0 HA VAL A 537 8.935 -10.692 -8.862 1.00 30.31 H new ATOM 0 HB VAL A 537 8.680 -9.844 -11.779 1.00 14.12 H new ATOM 0 HG11 VAL A 537 6.256 -9.988 -11.366 1.00 75.23 H new ATOM 0 HG12 VAL A 537 7.074 -11.547 -11.105 1.00 75.23 H new ATOM 0 HG13 VAL A 537 6.579 -10.558 -9.711 1.00 75.23 H new ATOM 0 HG21 VAL A 537 7.443 -7.879 -10.971 1.00 21.40 H new ATOM 0 HG22 VAL A 537 7.842 -8.327 -9.296 1.00 21.40 H new ATOM 0 HG23 VAL A 537 9.138 -7.875 -10.429 1.00 21.40 H new ATOM 564 N PRO A 538 9.570 -12.994 -9.772 1.00 34.32 N ATOM 565 CA PRO A 538 9.748 -14.307 -10.327 1.00 71.31 C ATOM 566 C PRO A 538 8.445 -14.828 -10.937 1.00 70.24 C ATOM 567 O PRO A 538 7.337 -14.487 -10.486 1.00 60.11 O ATOM 568 CB PRO A 538 10.165 -15.173 -9.130 1.00 0.44 C ATOM 569 CG PRO A 538 9.880 -14.360 -7.897 1.00 63.12 C ATOM 570 CD PRO A 538 9.317 -13.035 -8.332 1.00 41.23 C ATOM 0 HA PRO A 538 10.485 -14.317 -11.130 1.00 71.31 H new ATOM 0 HB2 PRO A 538 9.607 -16.109 -9.115 1.00 0.44 H new ATOM 0 HB3 PRO A 538 11.222 -15.433 -9.188 1.00 0.44 H new ATOM 0 HG2 PRO A 538 9.172 -14.881 -7.252 1.00 63.12 H new ATOM 0 HG3 PRO A 538 10.792 -14.215 -7.318 1.00 63.12 H new ATOM 0 HD2 PRO A 538 8.252 -12.963 -8.112 1.00 41.23 H new ATOM 0 HD3 PRO A 538 9.805 -12.207 -7.818 1.00 41.23 H new ATOM 578 N TYR A 539 8.571 -15.624 -11.949 1.00 44.32 N ATOM 579 CA TYR A 539 7.436 -16.223 -12.597 1.00 13.22 C ATOM 580 C TYR A 539 7.773 -17.663 -12.900 1.00 3.43 C ATOM 581 O TYR A 539 8.962 -18.015 -12.953 1.00 21.44 O ATOM 582 CB TYR A 539 7.041 -15.450 -13.886 1.00 72.10 C ATOM 583 CG TYR A 539 8.118 -15.378 -14.959 1.00 31.13 C ATOM 584 CD1 TYR A 539 8.373 -16.459 -15.783 1.00 22.05 C ATOM 585 CD2 TYR A 539 8.874 -14.230 -15.145 1.00 75.40 C ATOM 586 CE1 TYR A 539 9.340 -16.411 -16.741 1.00 60.15 C ATOM 587 CE2 TYR A 539 9.851 -14.178 -16.118 1.00 34.34 C ATOM 588 CZ TYR A 539 10.080 -15.276 -16.907 1.00 42.55 C ATOM 589 OH TYR A 539 11.057 -15.237 -17.873 1.00 52.52 O ATOM 0 H TYR A 539 9.469 -15.883 -12.357 1.00 44.32 H new ATOM 0 HA TYR A 539 6.571 -16.178 -11.936 1.00 13.22 H new ATOM 0 HB2 TYR A 539 6.156 -15.920 -14.314 1.00 72.10 H new ATOM 0 HB3 TYR A 539 6.760 -14.434 -13.608 1.00 72.10 H new ATOM 0 HD1 TYR A 539 7.792 -17.362 -15.664 1.00 22.05 H new ATOM 0 HD2 TYR A 539 8.696 -13.367 -14.521 1.00 75.40 H new ATOM 0 HE1 TYR A 539 9.521 -17.271 -17.369 1.00 60.15 H new ATOM 0 HE2 TYR A 539 10.432 -13.278 -16.257 1.00 34.34 H new ATOM 0 HH TYR A 539 11.142 -16.121 -18.288 1.00 52.52 H new ATOM 599 N LYS A 540 6.770 -18.481 -13.097 1.00 41.14 N ATOM 600 CA LYS A 540 6.986 -19.881 -13.386 1.00 2.51 C ATOM 601 C LYS A 540 5.840 -20.422 -14.222 1.00 12.43 C ATOM 602 O LYS A 540 4.662 -20.077 -13.999 1.00 71.10 O ATOM 603 CB LYS A 540 7.144 -20.704 -12.085 1.00 53.43 C ATOM 604 CG LYS A 540 5.880 -20.751 -11.237 1.00 42.25 C ATOM 605 CD LYS A 540 6.083 -21.449 -9.910 1.00 30.00 C ATOM 606 CE LYS A 540 4.760 -21.532 -9.166 1.00 74.40 C ATOM 607 NZ LYS A 540 4.919 -21.918 -7.754 1.00 44.41 N ATOM 0 H LYS A 540 5.790 -18.202 -13.063 1.00 41.14 H new ATOM 0 HA LYS A 540 7.913 -19.974 -13.952 1.00 2.51 H new ATOM 0 HB2 LYS A 540 7.437 -21.722 -12.342 1.00 53.43 H new ATOM 0 HB3 LYS A 540 7.954 -20.279 -11.492 1.00 53.43 H new ATOM 0 HG2 LYS A 540 5.532 -19.734 -11.057 1.00 42.25 H new ATOM 0 HG3 LYS A 540 5.095 -21.262 -11.794 1.00 42.25 H new ATOM 0 HD2 LYS A 540 6.483 -22.450 -10.072 1.00 30.00 H new ATOM 0 HD3 LYS A 540 6.814 -20.906 -9.311 1.00 30.00 H new ATOM 0 HE2 LYS A 540 4.258 -20.566 -9.219 1.00 74.40 H new ATOM 0 HE3 LYS A 540 4.114 -22.255 -9.664 1.00 74.40 H new ATOM 0 HZ1 LYS A 540 4.034 -21.731 -7.241 1.00 44.41 H new ATOM 0 HZ2 LYS A 540 5.147 -22.931 -7.695 1.00 44.41 H new ATOM 0 HZ3 LYS A 540 5.689 -21.365 -7.327 1.00 44.41 H new ATOM 621 N THR A 541 6.172 -21.199 -15.197 1.00 70.45 N ATOM 622 CA THR A 541 5.204 -21.809 -16.043 1.00 31.41 C ATOM 623 C THR A 541 4.669 -23.094 -15.427 1.00 2.00 C ATOM 624 O THR A 541 5.400 -23.835 -14.773 1.00 62.12 O ATOM 625 CB THR A 541 5.840 -22.113 -17.391 1.00 52.13 C ATOM 626 OG1 THR A 541 7.144 -22.636 -17.148 1.00 63.22 O ATOM 627 CG2 THR A 541 5.944 -20.866 -18.253 1.00 4.35 C ATOM 0 H THR A 541 7.137 -21.431 -15.432 1.00 70.45 H new ATOM 0 HA THR A 541 4.368 -21.121 -16.170 1.00 31.41 H new ATOM 0 HB THR A 541 5.220 -22.831 -17.928 1.00 52.13 H new ATOM 0 HG1 THR A 541 7.810 -21.929 -17.280 1.00 63.22 H new ATOM 0 HG21 THR A 541 6.403 -21.121 -19.208 1.00 4.35 H new ATOM 0 HG22 THR A 541 4.948 -20.459 -18.426 1.00 4.35 H new ATOM 0 HG23 THR A 541 6.556 -20.122 -17.744 1.00 4.35 H new ATOM 635 N ILE A 542 3.411 -23.330 -15.622 1.00 45.32 N ATOM 636 CA ILE A 542 2.756 -24.521 -15.172 1.00 74.31 C ATOM 637 C ILE A 542 2.603 -25.407 -16.387 1.00 34.22 C ATOM 638 O ILE A 542 1.932 -25.028 -17.354 1.00 74.32 O ATOM 639 CB ILE A 542 1.353 -24.214 -14.582 1.00 31.21 C ATOM 640 CG1 ILE A 542 1.438 -23.173 -13.441 1.00 22.23 C ATOM 641 CG2 ILE A 542 0.672 -25.495 -14.101 1.00 15.04 C ATOM 642 CD1 ILE A 542 2.323 -23.580 -12.269 1.00 21.13 C ATOM 0 H ILE A 542 2.792 -22.683 -16.112 1.00 45.32 H new ATOM 0 HA ILE A 542 3.341 -24.995 -14.383 1.00 74.31 H new ATOM 0 HB ILE A 542 0.745 -23.784 -15.378 1.00 31.21 H new ATOM 0 HG12 ILE A 542 1.811 -22.235 -13.851 1.00 22.23 H new ATOM 0 HG13 ILE A 542 0.432 -22.980 -13.069 1.00 22.23 H new ATOM 0 HG21 ILE A 542 -0.309 -25.254 -13.692 1.00 15.04 H new ATOM 0 HG22 ILE A 542 0.557 -26.183 -14.939 1.00 15.04 H new ATOM 0 HG23 ILE A 542 1.282 -25.963 -13.329 1.00 15.04 H new ATOM 0 HD11 ILE A 542 2.321 -22.789 -11.519 1.00 21.13 H new ATOM 0 HD12 ILE A 542 1.941 -24.500 -11.827 1.00 21.13 H new ATOM 0 HD13 ILE A 542 3.341 -23.743 -12.622 1.00 21.13 H new ATOM 654 N GLU A 543 3.252 -26.529 -16.359 1.00 74.13 N ATOM 655 CA GLU A 543 3.281 -27.448 -17.480 1.00 72.14 C ATOM 656 C GLU A 543 1.955 -28.179 -17.637 1.00 33.31 C ATOM 657 O GLU A 543 1.584 -29.010 -16.811 1.00 23.32 O ATOM 658 CB GLU A 543 4.454 -28.406 -17.305 1.00 20.45 C ATOM 659 CG GLU A 543 5.791 -27.676 -17.268 1.00 65.50 C ATOM 660 CD GLU A 543 6.890 -28.480 -16.653 1.00 53.14 C ATOM 661 OE1 GLU A 543 7.079 -28.384 -15.428 1.00 70.21 O ATOM 662 OE2 GLU A 543 7.602 -29.191 -17.368 1.00 42.32 O ATOM 0 H GLU A 543 3.787 -26.847 -15.551 1.00 74.13 H new ATOM 0 HA GLU A 543 3.424 -26.889 -18.405 1.00 72.14 H new ATOM 0 HB2 GLU A 543 4.325 -28.972 -16.382 1.00 20.45 H new ATOM 0 HB3 GLU A 543 4.458 -29.127 -18.123 1.00 20.45 H new ATOM 0 HG2 GLU A 543 6.076 -27.403 -18.284 1.00 65.50 H new ATOM 0 HG3 GLU A 543 5.674 -26.747 -16.709 1.00 65.50 H new ATOM 669 N GLY A 544 1.244 -27.841 -18.684 1.00 55.54 N ATOM 670 CA GLY A 544 -0.033 -28.423 -18.947 1.00 25.15 C ATOM 671 C GLY A 544 -0.149 -28.794 -20.395 1.00 24.43 C ATOM 672 O GLY A 544 0.129 -27.967 -21.273 1.00 43.42 O ATOM 0 H GLY A 544 1.542 -27.152 -19.375 1.00 55.54 H new ATOM 0 HA2 GLY A 544 -0.171 -29.308 -18.326 1.00 25.15 H new ATOM 0 HA3 GLY A 544 -0.822 -27.720 -18.681 1.00 25.15 H new ATOM 676 N THR A 545 -0.487 -30.049 -20.634 1.00 54.40 N ATOM 677 CA THR A 545 -0.686 -30.673 -21.926 1.00 14.54 C ATOM 678 C THR A 545 0.631 -30.826 -22.716 1.00 32.11 C ATOM 679 O THR A 545 0.962 -31.913 -23.207 1.00 63.42 O ATOM 680 CB THR A 545 -1.729 -29.933 -22.764 1.00 73.01 C ATOM 681 OG1 THR A 545 -2.804 -29.471 -21.915 1.00 24.23 O ATOM 682 CG2 THR A 545 -2.299 -30.902 -23.730 1.00 33.25 C ATOM 0 H THR A 545 -0.641 -30.707 -19.870 1.00 54.40 H new ATOM 0 HA THR A 545 -1.065 -31.674 -21.720 1.00 14.54 H new ATOM 0 HB THR A 545 -1.266 -29.084 -23.266 1.00 73.01 H new ATOM 0 HG1 THR A 545 -3.468 -28.996 -22.457 1.00 24.23 H new ATOM 0 HG21 THR A 545 -3.049 -30.404 -24.345 1.00 33.25 H new ATOM 0 HG22 THR A 545 -1.505 -31.289 -24.368 1.00 33.25 H new ATOM 0 HG23 THR A 545 -2.763 -31.726 -23.188 1.00 33.25 H new ATOM 690 N ALA A 546 1.356 -29.766 -22.792 1.00 25.05 N ATOM 691 CA ALA A 546 2.604 -29.703 -23.469 1.00 63.41 C ATOM 692 C ALA A 546 3.693 -30.051 -22.492 1.00 11.41 C ATOM 693 O ALA A 546 3.545 -29.810 -21.280 1.00 52.12 O ATOM 694 CB ALA A 546 2.794 -28.300 -23.966 1.00 4.42 C ATOM 0 H ALA A 546 1.084 -28.880 -22.366 1.00 25.05 H new ATOM 0 HA ALA A 546 2.633 -30.399 -24.308 1.00 63.41 H new ATOM 0 HB1 ALA A 546 3.747 -28.226 -24.490 1.00 4.42 H new ATOM 0 HB2 ALA A 546 1.984 -28.043 -24.648 1.00 4.42 H new ATOM 0 HB3 ALA A 546 2.790 -27.611 -23.121 1.00 4.42 H new ATOM 700 N ARG A 547 4.759 -30.620 -22.973 1.00 55.45 N ATOM 701 CA ARG A 547 5.846 -30.986 -22.111 1.00 61.32 C ATOM 702 C ARG A 547 6.884 -29.870 -22.053 1.00 41.14 C ATOM 703 O ARG A 547 7.233 -29.263 -23.087 1.00 52.41 O ATOM 704 CB ARG A 547 6.468 -32.304 -22.561 1.00 35.03 C ATOM 705 CG ARG A 547 7.547 -32.821 -21.625 1.00 33.43 C ATOM 706 CD ARG A 547 7.947 -34.230 -21.971 1.00 41.44 C ATOM 707 NE ARG A 547 8.549 -34.343 -23.305 1.00 71.12 N ATOM 708 CZ ARG A 547 8.141 -35.193 -24.264 1.00 52.23 C ATOM 709 NH1 ARG A 547 7.079 -35.975 -24.066 1.00 4.12 N ATOM 710 NH2 ARG A 547 8.792 -35.247 -25.413 1.00 1.23 N ATOM 0 H ARG A 547 4.900 -30.841 -23.959 1.00 55.45 H new ATOM 0 HA ARG A 547 5.457 -31.130 -21.103 1.00 61.32 H new ATOM 0 HB2 ARG A 547 5.683 -33.055 -22.647 1.00 35.03 H new ATOM 0 HB3 ARG A 547 6.894 -32.174 -23.556 1.00 35.03 H new ATOM 0 HG2 ARG A 547 8.420 -32.170 -21.679 1.00 33.43 H new ATOM 0 HG3 ARG A 547 7.186 -32.786 -20.597 1.00 33.43 H new ATOM 0 HD2 ARG A 547 8.655 -34.594 -21.227 1.00 41.44 H new ATOM 0 HD3 ARG A 547 7.070 -34.874 -21.918 1.00 41.44 H new ATOM 0 HE ARG A 547 9.336 -33.731 -23.521 1.00 71.12 H new ATOM 0 HH11 ARG A 547 6.571 -35.931 -23.183 1.00 4.12 H new ATOM 0 HH12 ARG A 547 6.775 -36.617 -24.798 1.00 4.12 H new ATOM 0 HH21 ARG A 547 9.601 -34.645 -25.570 1.00 1.23 H new ATOM 0 HH22 ARG A 547 8.486 -35.890 -26.143 1.00 1.23 H new ATOM 724 N GLY A 548 7.340 -29.580 -20.851 1.00 33.52 N ATOM 725 CA GLY A 548 8.344 -28.573 -20.641 1.00 33.40 C ATOM 726 C GLY A 548 9.739 -29.145 -20.791 1.00 34.23 C ATOM 727 O GLY A 548 9.924 -30.211 -21.395 1.00 62.41 O ATOM 0 H GLY A 548 7.021 -30.039 -19.997 1.00 33.52 H new ATOM 0 HA2 GLY A 548 8.203 -27.762 -21.355 1.00 33.40 H new ATOM 0 HA3 GLY A 548 8.230 -28.145 -19.645 1.00 33.40 H new ATOM 731 N GLY A 549 10.713 -28.456 -20.266 1.00 3.23 N ATOM 732 CA GLY A 549 12.082 -28.883 -20.393 1.00 63.43 C ATOM 733 C GLY A 549 12.663 -28.375 -21.685 1.00 74.45 C ATOM 734 O GLY A 549 13.675 -28.875 -22.169 1.00 15.12 O ATOM 0 H GLY A 549 10.585 -27.590 -19.742 1.00 3.23 H new ATOM 0 HA2 GLY A 549 12.667 -28.512 -19.551 1.00 63.43 H new ATOM 0 HA3 GLY A 549 12.136 -29.971 -20.364 1.00 63.43 H new ATOM 738 N GLY A 550 12.005 -27.367 -22.242 1.00 72.24 N ATOM 739 CA GLY A 550 12.410 -26.818 -23.514 1.00 55.35 C ATOM 740 C GLY A 550 11.985 -27.717 -24.653 1.00 62.51 C ATOM 741 O GLY A 550 12.629 -27.751 -25.703 1.00 33.04 O ATOM 0 H GLY A 550 11.189 -26.918 -21.827 1.00 72.24 H new ATOM 0 HA2 GLY A 550 11.971 -25.829 -23.643 1.00 55.35 H new ATOM 0 HA3 GLY A 550 13.492 -26.691 -23.531 1.00 55.35 H new ATOM 745 N GLU A 551 10.908 -28.455 -24.426 1.00 61.21 N ATOM 746 CA GLU A 551 10.384 -29.382 -25.386 1.00 31.21 C ATOM 747 C GLU A 551 9.404 -28.681 -26.334 1.00 13.42 C ATOM 748 O GLU A 551 9.813 -28.156 -27.368 1.00 2.14 O ATOM 749 CB GLU A 551 9.715 -30.543 -24.645 1.00 14.24 C ATOM 750 CG GLU A 551 9.102 -31.614 -25.514 1.00 31.13 C ATOM 751 CD GLU A 551 10.104 -32.360 -26.339 1.00 53.43 C ATOM 752 OE1 GLU A 551 10.654 -33.365 -25.848 1.00 54.03 O ATOM 753 OE2 GLU A 551 10.333 -31.996 -27.490 1.00 3.30 O ATOM 0 H GLU A 551 10.376 -28.418 -23.556 1.00 61.21 H new ATOM 0 HA GLU A 551 11.196 -29.777 -25.997 1.00 31.21 H new ATOM 0 HB2 GLU A 551 10.456 -31.009 -23.996 1.00 14.24 H new ATOM 0 HB3 GLU A 551 8.936 -30.136 -24.000 1.00 14.24 H new ATOM 0 HG2 GLU A 551 8.566 -32.321 -24.881 1.00 31.13 H new ATOM 0 HG3 GLU A 551 8.366 -31.157 -26.176 1.00 31.13 H new ATOM 760 N ASP A 552 8.136 -28.613 -25.944 1.00 61.34 N ATOM 761 CA ASP A 552 7.103 -28.005 -26.792 1.00 63.43 C ATOM 762 C ASP A 552 7.007 -26.549 -26.481 1.00 72.54 C ATOM 763 O ASP A 552 6.721 -25.724 -27.330 1.00 3.31 O ATOM 764 CB ASP A 552 5.758 -28.697 -26.597 1.00 32.22 C ATOM 765 CG ASP A 552 4.704 -28.216 -27.580 1.00 22.34 C ATOM 766 OD1 ASP A 552 4.833 -28.528 -28.800 1.00 32.23 O ATOM 767 OD2 ASP A 552 3.723 -27.595 -27.159 1.00 20.13 O ATOM 0 H ASP A 552 7.794 -28.968 -25.051 1.00 61.34 H new ATOM 0 HA ASP A 552 7.381 -28.129 -27.839 1.00 63.43 H new ATOM 0 HB2 ASP A 552 5.888 -29.773 -26.708 1.00 32.22 H new ATOM 0 HB3 ASP A 552 5.408 -28.521 -25.580 1.00 32.22 H new ATOM 772 N PHE A 553 7.293 -26.229 -25.269 1.00 35.14 N ATOM 773 CA PHE A 553 7.376 -24.881 -24.876 1.00 52.35 C ATOM 774 C PHE A 553 8.524 -24.780 -23.933 1.00 71.32 C ATOM 775 O PHE A 553 8.872 -25.763 -23.238 1.00 33.52 O ATOM 776 CB PHE A 553 6.067 -24.352 -24.240 1.00 50.14 C ATOM 777 CG PHE A 553 5.752 -24.878 -22.867 1.00 11.53 C ATOM 778 CD1 PHE A 553 5.211 -26.132 -22.694 1.00 54.33 C ATOM 779 CD2 PHE A 553 5.999 -24.099 -21.749 1.00 40.10 C ATOM 780 CE1 PHE A 553 4.920 -26.604 -21.434 1.00 64.43 C ATOM 781 CE2 PHE A 553 5.711 -24.564 -20.492 1.00 44.52 C ATOM 782 CZ PHE A 553 5.171 -25.815 -20.333 1.00 60.33 C ATOM 0 H PHE A 553 7.475 -26.902 -24.525 1.00 35.14 H new ATOM 0 HA PHE A 553 7.529 -24.252 -25.753 1.00 52.35 H new ATOM 0 HB2 PHE A 553 6.123 -23.265 -24.189 1.00 50.14 H new ATOM 0 HB3 PHE A 553 5.237 -24.598 -24.903 1.00 50.14 H new ATOM 0 HD1 PHE A 553 5.013 -26.752 -23.556 1.00 54.33 H new ATOM 0 HD2 PHE A 553 6.424 -23.113 -21.869 1.00 40.10 H new ATOM 0 HE1 PHE A 553 4.496 -27.590 -21.309 1.00 64.43 H new ATOM 0 HE2 PHE A 553 5.909 -23.947 -19.628 1.00 44.52 H new ATOM 0 HZ PHE A 553 4.942 -26.182 -19.343 1.00 60.33 H new ATOM 792 N GLU A 554 9.146 -23.670 -23.943 1.00 51.34 N ATOM 793 CA GLU A 554 10.241 -23.423 -23.090 1.00 61.05 C ATOM 794 C GLU A 554 9.653 -22.922 -21.793 1.00 55.22 C ATOM 795 O GLU A 554 9.108 -21.812 -21.739 1.00 2.45 O ATOM 796 CB GLU A 554 11.134 -22.383 -23.763 1.00 44.14 C ATOM 797 CG GLU A 554 12.596 -22.374 -23.353 1.00 14.00 C ATOM 798 CD GLU A 554 12.838 -21.926 -21.948 1.00 23.44 C ATOM 799 OE1 GLU A 554 12.955 -20.703 -21.716 1.00 71.50 O ATOM 800 OE2 GLU A 554 12.972 -22.782 -21.064 1.00 44.13 O ATOM 0 H GLU A 554 8.906 -22.890 -24.555 1.00 51.34 H new ATOM 0 HA GLU A 554 10.852 -24.304 -22.894 1.00 61.05 H new ATOM 0 HB2 GLU A 554 11.084 -22.537 -24.841 1.00 44.14 H new ATOM 0 HB3 GLU A 554 10.718 -21.396 -23.562 1.00 44.14 H new ATOM 0 HG2 GLU A 554 13.002 -23.378 -23.477 1.00 14.00 H new ATOM 0 HG3 GLU A 554 13.147 -21.721 -24.030 1.00 14.00 H new ATOM 807 N ASP A 555 9.668 -23.774 -20.793 1.00 3.15 N ATOM 808 CA ASP A 555 9.122 -23.448 -19.501 1.00 11.04 C ATOM 809 C ASP A 555 10.022 -22.455 -18.803 1.00 74.22 C ATOM 810 O ASP A 555 11.023 -22.795 -18.161 1.00 42.42 O ATOM 811 CB ASP A 555 8.810 -24.714 -18.655 1.00 24.21 C ATOM 812 CG ASP A 555 9.991 -25.596 -18.381 1.00 34.31 C ATOM 813 OD1 ASP A 555 10.679 -26.000 -19.343 1.00 51.11 O ATOM 814 OD2 ASP A 555 10.246 -25.929 -17.198 1.00 43.44 O ATOM 0 H ASP A 555 10.060 -24.713 -20.856 1.00 3.15 H new ATOM 0 HA ASP A 555 8.153 -22.968 -19.637 1.00 11.04 H new ATOM 0 HB2 ASP A 555 8.380 -24.401 -17.704 1.00 24.21 H new ATOM 0 HB3 ASP A 555 8.049 -25.300 -19.171 1.00 24.21 H new ATOM 819 N THR A 556 9.701 -21.224 -19.032 1.00 43.52 N ATOM 820 CA THR A 556 10.461 -20.131 -18.580 1.00 63.03 C ATOM 821 C THR A 556 10.136 -19.759 -17.140 1.00 10.31 C ATOM 822 O THR A 556 8.971 -19.699 -16.715 1.00 74.45 O ATOM 823 CB THR A 556 10.324 -18.909 -19.561 1.00 30.33 C ATOM 824 OG1 THR A 556 11.076 -17.770 -19.116 1.00 24.20 O ATOM 825 CG2 THR A 556 8.871 -18.507 -19.774 1.00 62.13 C ATOM 0 H THR A 556 8.870 -20.954 -19.559 1.00 43.52 H new ATOM 0 HA THR A 556 11.508 -20.434 -18.581 1.00 63.03 H new ATOM 0 HB THR A 556 10.736 -19.245 -20.513 1.00 30.33 H new ATOM 0 HG1 THR A 556 11.069 -17.081 -19.813 1.00 24.20 H new ATOM 0 HG21 THR A 556 8.824 -17.660 -20.458 1.00 62.13 H new ATOM 0 HG22 THR A 556 8.320 -19.346 -20.198 1.00 62.13 H new ATOM 0 HG23 THR A 556 8.427 -18.227 -18.819 1.00 62.13 H new ATOM 833 N CYS A 557 11.181 -19.582 -16.402 1.00 11.05 N ATOM 834 CA CYS A 557 11.153 -19.120 -15.065 1.00 25.40 C ATOM 835 C CYS A 557 12.316 -18.160 -14.946 1.00 42.01 C ATOM 836 O CYS A 557 13.460 -18.535 -15.216 1.00 33.24 O ATOM 837 CB CYS A 557 11.262 -20.305 -14.084 1.00 74.43 C ATOM 838 SG CYS A 557 12.608 -21.466 -14.443 1.00 41.24 S ATOM 0 H CYS A 557 12.126 -19.767 -16.739 1.00 11.05 H new ATOM 0 HA CYS A 557 10.218 -18.619 -14.814 1.00 25.40 H new ATOM 0 HB2 CYS A 557 11.398 -19.913 -13.076 1.00 74.43 H new ATOM 0 HB3 CYS A 557 10.319 -20.851 -14.089 1.00 74.43 H new ATOM 0 HG CYS A 557 13.619 -20.818 -14.941 1.00 41.24 H new ATOM 844 N GLY A 558 12.046 -16.930 -14.623 1.00 61.14 N ATOM 845 CA GLY A 558 13.093 -15.956 -14.625 1.00 65.41 C ATOM 846 C GLY A 558 12.858 -14.846 -13.662 1.00 72.03 C ATOM 847 O GLY A 558 11.822 -14.812 -12.976 1.00 1.31 O ATOM 0 H GLY A 558 11.124 -16.582 -14.359 1.00 61.14 H new ATOM 0 HA2 GLY A 558 14.037 -16.445 -14.384 1.00 65.41 H new ATOM 0 HA3 GLY A 558 13.195 -15.543 -15.629 1.00 65.41 H new ATOM 851 N GLU A 559 13.797 -13.931 -13.641 1.00 32.43 N ATOM 852 CA GLU A 559 13.805 -12.806 -12.741 1.00 41.11 C ATOM 853 C GLU A 559 13.421 -11.553 -13.521 1.00 63.43 C ATOM 854 O GLU A 559 14.176 -11.127 -14.404 1.00 50.04 O ATOM 855 CB GLU A 559 15.238 -12.589 -12.226 1.00 24.41 C ATOM 856 CG GLU A 559 15.934 -13.816 -11.650 1.00 33.15 C ATOM 857 CD GLU A 559 15.299 -14.329 -10.397 1.00 23.31 C ATOM 858 OE1 GLU A 559 15.496 -13.714 -9.328 1.00 65.44 O ATOM 859 OE2 GLU A 559 14.635 -15.375 -10.442 1.00 54.32 O ATOM 0 H GLU A 559 14.600 -13.951 -14.269 1.00 32.43 H new ATOM 0 HA GLU A 559 13.114 -12.992 -11.919 1.00 41.11 H new ATOM 0 HB2 GLU A 559 15.843 -12.204 -13.047 1.00 24.41 H new ATOM 0 HB3 GLU A 559 15.214 -11.816 -11.458 1.00 24.41 H new ATOM 0 HG2 GLU A 559 15.934 -14.608 -12.398 1.00 33.15 H new ATOM 0 HG3 GLU A 559 16.976 -13.570 -11.445 1.00 33.15 H new ATOM 866 N LEU A 560 12.274 -10.986 -13.264 1.00 1.33 N ATOM 867 CA LEU A 560 11.935 -9.736 -13.909 1.00 71.40 C ATOM 868 C LEU A 560 12.230 -8.604 -12.983 1.00 33.15 C ATOM 869 O LEU A 560 11.750 -8.575 -11.859 1.00 12.53 O ATOM 870 CB LEU A 560 10.490 -9.663 -14.326 1.00 1.43 C ATOM 871 CG LEU A 560 10.008 -10.718 -15.305 1.00 61.51 C ATOM 872 CD1 LEU A 560 8.529 -10.546 -15.556 1.00 32.12 C ATOM 873 CD2 LEU A 560 10.792 -10.648 -16.614 1.00 63.00 C ATOM 0 H LEU A 560 11.568 -11.355 -12.627 1.00 1.33 H new ATOM 0 HA LEU A 560 12.540 -9.671 -14.814 1.00 71.40 H new ATOM 0 HB2 LEU A 560 9.874 -9.724 -13.429 1.00 1.43 H new ATOM 0 HB3 LEU A 560 10.313 -8.683 -14.768 1.00 1.43 H new ATOM 0 HG LEU A 560 10.179 -11.702 -14.869 1.00 61.51 H new ATOM 0 HD11 LEU A 560 8.189 -11.306 -16.259 1.00 32.12 H new ATOM 0 HD12 LEU A 560 7.986 -10.651 -14.617 1.00 32.12 H new ATOM 0 HD13 LEU A 560 8.343 -9.556 -15.973 1.00 32.12 H new ATOM 0 HD21 LEU A 560 10.427 -11.414 -17.298 1.00 63.00 H new ATOM 0 HD22 LEU A 560 10.659 -9.665 -17.066 1.00 63.00 H new ATOM 0 HD23 LEU A 560 11.850 -10.815 -16.414 1.00 63.00 H new ATOM 885 N GLU A 561 12.975 -7.673 -13.450 1.00 44.01 N ATOM 886 CA GLU A 561 13.399 -6.580 -12.621 1.00 34.30 C ATOM 887 C GLU A 561 12.619 -5.307 -12.924 1.00 54.02 C ATOM 888 O GLU A 561 12.910 -4.584 -13.887 1.00 2.02 O ATOM 889 CB GLU A 561 14.893 -6.349 -12.767 1.00 72.00 C ATOM 890 CG GLU A 561 15.441 -5.240 -11.898 1.00 71.12 C ATOM 891 CD GLU A 561 16.895 -5.012 -12.142 1.00 25.21 C ATOM 892 OE1 GLU A 561 17.247 -4.543 -13.241 1.00 15.44 O ATOM 893 OE2 GLU A 561 17.716 -5.294 -11.249 1.00 41.24 O ATOM 0 H GLU A 561 13.313 -7.636 -14.411 1.00 44.01 H new ATOM 0 HA GLU A 561 13.190 -6.849 -11.586 1.00 34.30 H new ATOM 0 HB2 GLU A 561 15.417 -7.274 -12.527 1.00 72.00 H new ATOM 0 HB3 GLU A 561 15.113 -6.119 -13.810 1.00 72.00 H new ATOM 0 HG2 GLU A 561 14.891 -4.320 -12.094 1.00 71.12 H new ATOM 0 HG3 GLU A 561 15.283 -5.489 -10.849 1.00 71.12 H new ATOM 900 N PHE A 562 11.639 -5.050 -12.125 1.00 2.21 N ATOM 901 CA PHE A 562 10.859 -3.855 -12.236 1.00 31.21 C ATOM 902 C PHE A 562 11.429 -2.825 -11.310 1.00 73.52 C ATOM 903 O PHE A 562 11.242 -2.898 -10.088 1.00 63.34 O ATOM 904 CB PHE A 562 9.394 -4.097 -11.900 1.00 12.03 C ATOM 905 CG PHE A 562 8.593 -4.777 -12.968 1.00 30.23 C ATOM 906 CD1 PHE A 562 8.624 -6.151 -13.132 1.00 52.22 C ATOM 907 CD2 PHE A 562 7.770 -4.030 -13.789 1.00 12.22 C ATOM 908 CE1 PHE A 562 7.849 -6.757 -14.092 1.00 21.14 C ATOM 909 CE2 PHE A 562 6.992 -4.631 -14.741 1.00 20.34 C ATOM 910 CZ PHE A 562 7.029 -5.994 -14.892 1.00 31.54 C ATOM 0 H PHE A 562 11.350 -5.668 -11.367 1.00 2.21 H new ATOM 0 HA PHE A 562 10.900 -3.510 -13.269 1.00 31.21 H new ATOM 0 HB2 PHE A 562 9.342 -4.698 -10.992 1.00 12.03 H new ATOM 0 HB3 PHE A 562 8.927 -3.138 -11.675 1.00 12.03 H new ATOM 0 HD1 PHE A 562 9.262 -6.752 -12.501 1.00 52.22 H new ATOM 0 HD2 PHE A 562 7.740 -2.956 -13.678 1.00 12.22 H new ATOM 0 HE1 PHE A 562 7.883 -7.829 -14.218 1.00 21.14 H new ATOM 0 HE2 PHE A 562 6.350 -4.034 -15.372 1.00 20.34 H new ATOM 0 HZ PHE A 562 6.413 -6.470 -15.641 1.00 31.54 H new ATOM 920 N GLN A 563 12.162 -1.913 -11.866 1.00 13.45 N ATOM 921 CA GLN A 563 12.776 -0.882 -11.086 1.00 1.04 C ATOM 922 C GLN A 563 11.801 0.282 -10.910 1.00 1.13 C ATOM 923 O GLN A 563 11.114 0.395 -9.891 1.00 2.33 O ATOM 924 CB GLN A 563 14.077 -0.390 -11.744 1.00 51.42 C ATOM 925 CG GLN A 563 15.065 -1.490 -12.109 1.00 31.44 C ATOM 926 CD GLN A 563 16.341 -0.938 -12.717 1.00 44.10 C ATOM 927 OE1 GLN A 563 16.340 0.122 -13.331 1.00 51.24 O ATOM 928 NE2 GLN A 563 17.415 -1.659 -12.591 1.00 12.45 N ATOM 0 H GLN A 563 12.352 -1.860 -12.867 1.00 13.45 H new ATOM 0 HA GLN A 563 13.028 -1.293 -10.109 1.00 1.04 H new ATOM 0 HB2 GLN A 563 13.823 0.165 -12.647 1.00 51.42 H new ATOM 0 HB3 GLN A 563 14.568 0.310 -11.067 1.00 51.42 H new ATOM 0 HG2 GLN A 563 15.310 -2.066 -11.217 1.00 31.44 H new ATOM 0 HG3 GLN A 563 14.597 -2.177 -12.814 1.00 31.44 H new ATOM 0 HE21 GLN A 563 17.382 -2.537 -12.073 1.00 12.45 H new ATOM 0 HE22 GLN A 563 18.291 -1.347 -13.010 1.00 12.45 H new ATOM 937 N ASN A 564 11.702 1.099 -11.928 1.00 53.13 N ATOM 938 CA ASN A 564 10.865 2.272 -11.885 1.00 21.44 C ATOM 939 C ASN A 564 9.596 2.030 -12.703 1.00 15.41 C ATOM 940 O ASN A 564 9.555 1.120 -13.528 1.00 41.52 O ATOM 941 CB ASN A 564 11.648 3.472 -12.430 1.00 52.52 C ATOM 942 CG ASN A 564 10.946 4.806 -12.232 1.00 34.31 C ATOM 943 OD1 ASN A 564 10.145 5.237 -13.063 1.00 13.32 O ATOM 944 ND2 ASN A 564 11.247 5.462 -11.148 1.00 10.50 N ATOM 0 H ASN A 564 12.199 0.970 -12.809 1.00 53.13 H new ATOM 0 HA ASN A 564 10.573 2.483 -10.856 1.00 21.44 H new ATOM 0 HB2 ASN A 564 12.622 3.509 -11.943 1.00 52.52 H new ATOM 0 HB3 ASN A 564 11.829 3.322 -13.494 1.00 52.52 H new ATOM 0 HD21 ASN A 564 10.814 6.367 -10.963 1.00 10.50 H new ATOM 0 HD22 ASN A 564 11.915 5.071 -10.484 1.00 10.50 H new ATOM 951 N ASP A 565 8.599 2.859 -12.489 1.00 74.30 N ATOM 952 CA ASP A 565 7.280 2.768 -13.138 1.00 31.51 C ATOM 953 C ASP A 565 7.359 3.006 -14.650 1.00 53.35 C ATOM 954 O ASP A 565 6.488 2.573 -15.413 1.00 22.32 O ATOM 955 CB ASP A 565 6.350 3.805 -12.495 1.00 55.14 C ATOM 956 CG ASP A 565 4.937 3.737 -13.004 1.00 73.44 C ATOM 957 OD1 ASP A 565 4.612 4.412 -14.005 1.00 64.52 O ATOM 958 OD2 ASP A 565 4.120 3.014 -12.411 1.00 74.03 O ATOM 0 H ASP A 565 8.671 3.644 -11.842 1.00 74.30 H new ATOM 0 HA ASP A 565 6.895 1.759 -12.995 1.00 31.51 H new ATOM 0 HB2 ASP A 565 6.347 3.659 -11.415 1.00 55.14 H new ATOM 0 HB3 ASP A 565 6.747 4.803 -12.680 1.00 55.14 H new ATOM 963 N GLU A 566 8.418 3.659 -15.082 1.00 73.24 N ATOM 964 CA GLU A 566 8.586 3.998 -16.483 1.00 73.01 C ATOM 965 C GLU A 566 8.852 2.776 -17.362 1.00 1.42 C ATOM 966 O GLU A 566 8.711 2.850 -18.586 1.00 72.02 O ATOM 967 CB GLU A 566 9.685 5.036 -16.666 1.00 23.04 C ATOM 968 CG GLU A 566 11.045 4.601 -16.160 1.00 42.22 C ATOM 969 CD GLU A 566 12.098 5.634 -16.407 1.00 22.42 C ATOM 970 OE1 GLU A 566 12.648 5.674 -17.523 1.00 44.23 O ATOM 971 OE2 GLU A 566 12.393 6.432 -15.494 1.00 62.01 O ATOM 0 H GLU A 566 9.181 3.968 -14.480 1.00 73.24 H new ATOM 0 HA GLU A 566 7.638 4.425 -16.811 1.00 73.01 H new ATOM 0 HB2 GLU A 566 9.766 5.280 -17.725 1.00 23.04 H new ATOM 0 HB3 GLU A 566 9.394 5.951 -16.150 1.00 23.04 H new ATOM 0 HG2 GLU A 566 10.984 4.395 -15.091 1.00 42.22 H new ATOM 0 HG3 GLU A 566 11.331 3.669 -16.648 1.00 42.22 H new ATOM 978 N ILE A 567 9.228 1.667 -16.763 1.00 1.14 N ATOM 979 CA ILE A 567 9.513 0.481 -17.530 1.00 71.41 C ATOM 980 C ILE A 567 8.484 -0.600 -17.252 1.00 72.12 C ATOM 981 O ILE A 567 7.773 -0.553 -16.243 1.00 34.24 O ATOM 982 CB ILE A 567 10.946 -0.084 -17.275 1.00 43.21 C ATOM 983 CG1 ILE A 567 11.126 -0.509 -15.808 1.00 15.14 C ATOM 984 CG2 ILE A 567 12.003 0.937 -17.676 1.00 42.30 C ATOM 985 CD1 ILE A 567 12.471 -1.136 -15.501 1.00 33.54 C ATOM 0 H ILE A 567 9.342 1.565 -15.755 1.00 1.14 H new ATOM 0 HA ILE A 567 9.463 0.780 -18.577 1.00 71.41 H new ATOM 0 HB ILE A 567 11.072 -0.972 -17.895 1.00 43.21 H new ATOM 0 HG12 ILE A 567 10.991 0.364 -15.170 1.00 15.14 H new ATOM 0 HG13 ILE A 567 10.340 -1.218 -15.548 1.00 15.14 H new ATOM 0 HG21 ILE A 567 12.995 0.525 -17.491 1.00 42.30 H new ATOM 0 HG22 ILE A 567 11.899 1.171 -18.735 1.00 42.30 H new ATOM 0 HG23 ILE A 567 11.872 1.846 -17.089 1.00 42.30 H new ATOM 0 HD11 ILE A 567 12.514 -1.406 -14.446 1.00 33.54 H new ATOM 0 HD12 ILE A 567 12.603 -2.030 -16.110 1.00 33.54 H new ATOM 0 HD13 ILE A 567 13.264 -0.423 -15.726 1.00 33.54 H new ATOM 997 N VAL A 568 8.403 -1.543 -18.143 1.00 0.21 N ATOM 998 CA VAL A 568 7.525 -2.673 -18.013 1.00 34.14 C ATOM 999 C VAL A 568 8.274 -3.895 -18.546 1.00 11.44 C ATOM 1000 O VAL A 568 9.093 -3.772 -19.477 1.00 23.11 O ATOM 1001 CB VAL A 568 6.169 -2.466 -18.787 1.00 44.24 C ATOM 1002 CG1 VAL A 568 6.365 -2.404 -20.293 1.00 15.53 C ATOM 1003 CG2 VAL A 568 5.142 -3.528 -18.410 1.00 62.44 C ATOM 0 H VAL A 568 8.956 -1.550 -19.000 1.00 0.21 H new ATOM 0 HA VAL A 568 7.255 -2.807 -16.965 1.00 34.14 H new ATOM 0 HB VAL A 568 5.779 -1.497 -18.476 1.00 44.24 H new ATOM 0 HG11 VAL A 568 5.400 -2.260 -20.780 1.00 15.53 H new ATOM 0 HG12 VAL A 568 7.024 -1.572 -20.540 1.00 15.53 H new ATOM 0 HG13 VAL A 568 6.812 -3.336 -20.640 1.00 15.53 H new ATOM 0 HG21 VAL A 568 4.219 -3.354 -18.963 1.00 62.44 H new ATOM 0 HG22 VAL A 568 5.532 -4.515 -18.657 1.00 62.44 H new ATOM 0 HG23 VAL A 568 4.940 -3.475 -17.340 1.00 62.44 H new ATOM 1013 N LYS A 569 8.057 -5.031 -17.953 1.00 65.22 N ATOM 1014 CA LYS A 569 8.732 -6.232 -18.376 1.00 75.20 C ATOM 1015 C LYS A 569 7.825 -7.089 -19.187 1.00 4.10 C ATOM 1016 O LYS A 569 6.604 -7.093 -18.988 1.00 11.22 O ATOM 1017 CB LYS A 569 9.298 -7.021 -17.200 1.00 62.34 C ATOM 1018 CG LYS A 569 10.453 -6.359 -16.495 1.00 45.05 C ATOM 1019 CD LYS A 569 11.662 -6.331 -17.368 1.00 15.30 C ATOM 1020 CE LYS A 569 12.826 -5.641 -16.705 1.00 42.43 C ATOM 1021 NZ LYS A 569 14.045 -5.645 -17.544 1.00 4.12 N ATOM 0 H LYS A 569 7.415 -5.156 -17.170 1.00 65.22 H new ATOM 0 HA LYS A 569 9.574 -5.922 -18.995 1.00 75.20 H new ATOM 0 HB2 LYS A 569 8.500 -7.193 -16.478 1.00 62.34 H new ATOM 0 HB3 LYS A 569 9.621 -7.999 -17.558 1.00 62.34 H new ATOM 0 HG2 LYS A 569 10.179 -5.342 -16.214 1.00 45.05 H new ATOM 0 HG3 LYS A 569 10.677 -6.895 -15.573 1.00 45.05 H new ATOM 0 HD2 LYS A 569 11.946 -7.351 -17.626 1.00 15.30 H new ATOM 0 HD3 LYS A 569 11.423 -5.821 -18.301 1.00 15.30 H new ATOM 0 HE2 LYS A 569 12.551 -4.611 -16.476 1.00 42.43 H new ATOM 0 HE3 LYS A 569 13.041 -6.132 -15.756 1.00 42.43 H new ATOM 0 HZ1 LYS A 569 14.814 -5.158 -17.041 1.00 4.12 H new ATOM 0 HZ2 LYS A 569 14.327 -6.626 -17.742 1.00 4.12 H new ATOM 0 HZ3 LYS A 569 13.852 -5.153 -18.440 1.00 4.12 H new ATOM 1035 N ILE A 570 8.422 -7.804 -20.076 1.00 0.41 N ATOM 1036 CA ILE A 570 7.718 -8.674 -20.982 1.00 13.23 C ATOM 1037 C ILE A 570 8.250 -10.069 -20.825 1.00 63.22 C ATOM 1038 O ILE A 570 9.471 -10.294 -20.871 1.00 1.32 O ATOM 1039 CB ILE A 570 7.897 -8.257 -22.473 1.00 4.40 C ATOM 1040 CG1 ILE A 570 7.397 -6.829 -22.720 1.00 63.20 C ATOM 1041 CG2 ILE A 570 7.174 -9.244 -23.404 1.00 24.21 C ATOM 1042 CD1 ILE A 570 7.579 -6.355 -24.147 1.00 51.10 C ATOM 0 H ILE A 570 9.434 -7.808 -20.204 1.00 0.41 H new ATOM 0 HA ILE A 570 6.658 -8.610 -20.735 1.00 13.23 H new ATOM 0 HB ILE A 570 8.964 -8.283 -22.695 1.00 4.40 H new ATOM 0 HG12 ILE A 570 6.340 -6.775 -22.461 1.00 63.20 H new ATOM 0 HG13 ILE A 570 7.924 -6.149 -22.051 1.00 63.20 H new ATOM 0 HG21 ILE A 570 7.312 -8.934 -24.440 1.00 24.21 H new ATOM 0 HG22 ILE A 570 7.587 -10.243 -23.266 1.00 24.21 H new ATOM 0 HG23 ILE A 570 6.110 -9.255 -23.167 1.00 24.21 H new ATOM 0 HD11 ILE A 570 7.202 -5.337 -24.243 1.00 51.10 H new ATOM 0 HD12 ILE A 570 8.638 -6.376 -24.405 1.00 51.10 H new ATOM 0 HD13 ILE A 570 7.029 -7.011 -24.821 1.00 51.10 H new ATOM 1054 N ILE A 571 7.365 -10.983 -20.634 1.00 2.10 N ATOM 1055 CA ILE A 571 7.713 -12.364 -20.531 1.00 42.20 C ATOM 1056 C ILE A 571 7.649 -12.950 -21.910 1.00 45.43 C ATOM 1057 O ILE A 571 6.615 -12.858 -22.582 1.00 64.33 O ATOM 1058 CB ILE A 571 6.745 -13.126 -19.614 1.00 4.20 C ATOM 1059 CG1 ILE A 571 6.679 -12.434 -18.258 1.00 52.41 C ATOM 1060 CG2 ILE A 571 7.213 -14.578 -19.456 1.00 72.50 C ATOM 1061 CD1 ILE A 571 5.642 -13.003 -17.340 1.00 53.30 C ATOM 0 H ILE A 571 6.367 -10.795 -20.543 1.00 2.10 H new ATOM 0 HA ILE A 571 8.711 -12.451 -20.101 1.00 42.20 H new ATOM 0 HB ILE A 571 5.749 -13.130 -20.056 1.00 4.20 H new ATOM 0 HG12 ILE A 571 7.655 -12.504 -17.777 1.00 52.41 H new ATOM 0 HG13 ILE A 571 6.474 -11.374 -18.411 1.00 52.41 H new ATOM 0 HG21 ILE A 571 6.523 -15.114 -18.805 1.00 72.50 H new ATOM 0 HG22 ILE A 571 7.238 -15.060 -20.433 1.00 72.50 H new ATOM 0 HG23 ILE A 571 8.211 -14.593 -19.018 1.00 72.50 H new ATOM 0 HD11 ILE A 571 5.655 -12.459 -16.395 1.00 53.30 H new ATOM 0 HD12 ILE A 571 4.658 -12.909 -17.800 1.00 53.30 H new ATOM 0 HD13 ILE A 571 5.857 -14.056 -17.156 1.00 53.30 H new ATOM 1073 N THR A 572 8.737 -13.483 -22.343 1.00 30.31 N ATOM 1074 CA THR A 572 8.828 -14.075 -23.624 1.00 2.41 C ATOM 1075 C THR A 572 8.962 -15.569 -23.477 1.00 51.24 C ATOM 1076 O THR A 572 9.961 -16.069 -22.934 1.00 5.04 O ATOM 1077 CB THR A 572 10.019 -13.483 -24.397 1.00 33.14 C ATOM 1078 OG1 THR A 572 11.232 -13.594 -23.619 1.00 52.12 O ATOM 1079 CG2 THR A 572 9.752 -12.025 -24.719 1.00 40.32 C ATOM 0 H THR A 572 9.602 -13.519 -21.804 1.00 30.31 H new ATOM 0 HA THR A 572 7.922 -13.862 -24.192 1.00 2.41 H new ATOM 0 HB THR A 572 10.143 -14.042 -25.324 1.00 33.14 H new ATOM 0 HG1 THR A 572 11.201 -14.411 -23.079 1.00 52.12 H new ATOM 0 HG21 THR A 572 10.599 -11.612 -25.266 1.00 40.32 H new ATOM 0 HG22 THR A 572 8.852 -11.946 -25.329 1.00 40.32 H new ATOM 0 HG23 THR A 572 9.612 -11.468 -23.793 1.00 40.32 H new ATOM 1087 N ILE A 573 7.966 -16.273 -23.909 1.00 2.33 N ATOM 1088 CA ILE A 573 7.978 -17.702 -23.812 1.00 25.54 C ATOM 1089 C ILE A 573 8.269 -18.260 -25.179 1.00 51.54 C ATOM 1090 O ILE A 573 7.576 -17.926 -26.156 1.00 23.11 O ATOM 1091 CB ILE A 573 6.617 -18.262 -23.320 1.00 30.43 C ATOM 1092 CG1 ILE A 573 6.202 -17.595 -21.998 1.00 14.24 C ATOM 1093 CG2 ILE A 573 6.699 -19.782 -23.146 1.00 11.11 C ATOM 1094 CD1 ILE A 573 4.808 -17.964 -21.541 1.00 71.30 C ATOM 0 H ILE A 573 7.127 -15.881 -24.336 1.00 2.33 H new ATOM 0 HA ILE A 573 8.738 -17.994 -23.088 1.00 25.54 H new ATOM 0 HB ILE A 573 5.860 -18.036 -24.071 1.00 30.43 H new ATOM 0 HG12 ILE A 573 6.915 -17.873 -21.222 1.00 14.24 H new ATOM 0 HG13 ILE A 573 6.262 -16.513 -22.113 1.00 14.24 H new ATOM 0 HG21 ILE A 573 5.737 -20.161 -22.800 1.00 11.11 H new ATOM 0 HG22 ILE A 573 6.950 -20.245 -24.101 1.00 11.11 H new ATOM 0 HG23 ILE A 573 7.469 -20.023 -22.413 1.00 11.11 H new ATOM 0 HD11 ILE A 573 4.586 -17.456 -20.603 1.00 71.30 H new ATOM 0 HD12 ILE A 573 4.085 -17.660 -22.298 1.00 71.30 H new ATOM 0 HD13 ILE A 573 4.747 -19.042 -21.393 1.00 71.30 H new ATOM 1106 N ARG A 574 9.318 -19.036 -25.261 1.00 54.05 N ATOM 1107 CA ARG A 574 9.696 -19.677 -26.489 1.00 21.32 C ATOM 1108 C ARG A 574 8.776 -20.843 -26.753 1.00 13.32 C ATOM 1109 O ARG A 574 8.717 -21.799 -25.974 1.00 41.53 O ATOM 1110 CB ARG A 574 11.148 -20.128 -26.423 1.00 25.34 C ATOM 1111 CG ARG A 574 12.123 -18.984 -26.333 1.00 61.25 C ATOM 1112 CD ARG A 574 13.519 -19.453 -26.014 1.00 24.23 C ATOM 1113 NE ARG A 574 14.452 -18.323 -25.955 1.00 53.01 N ATOM 1114 CZ ARG A 574 14.783 -17.642 -24.844 1.00 45.22 C ATOM 1115 NH1 ARG A 574 14.214 -17.929 -23.677 1.00 22.34 N ATOM 1116 NH2 ARG A 574 15.660 -16.654 -24.913 1.00 22.31 N ATOM 0 H ARG A 574 9.935 -19.241 -24.475 1.00 54.05 H new ATOM 0 HA ARG A 574 9.604 -18.968 -27.312 1.00 21.32 H new ATOM 0 HB2 ARG A 574 11.280 -20.778 -25.558 1.00 25.34 H new ATOM 0 HB3 ARG A 574 11.377 -20.723 -27.307 1.00 25.34 H new ATOM 0 HG2 ARG A 574 12.131 -18.440 -27.277 1.00 61.25 H new ATOM 0 HG3 ARG A 574 11.791 -18.285 -25.565 1.00 61.25 H new ATOM 0 HD2 ARG A 574 13.520 -19.981 -25.060 1.00 24.23 H new ATOM 0 HD3 ARG A 574 13.850 -20.163 -26.772 1.00 24.23 H new ATOM 0 HE ARG A 574 14.886 -18.029 -26.830 1.00 53.01 H new ATOM 0 HH11 ARG A 574 13.518 -18.673 -23.618 1.00 22.34 H new ATOM 0 HH12 ARG A 574 14.473 -17.406 -22.841 1.00 22.34 H new ATOM 0 HH21 ARG A 574 16.084 -16.410 -25.808 1.00 22.31 H new ATOM 0 HH22 ARG A 574 15.912 -16.136 -24.071 1.00 22.31 H new ATOM 1130 N ILE A 575 8.043 -20.740 -27.810 1.00 72.53 N ATOM 1131 CA ILE A 575 7.104 -21.751 -28.198 1.00 24.11 C ATOM 1132 C ILE A 575 7.775 -22.605 -29.248 1.00 11.34 C ATOM 1133 O ILE A 575 8.502 -22.074 -30.106 1.00 54.51 O ATOM 1134 CB ILE A 575 5.813 -21.104 -28.788 1.00 43.23 C ATOM 1135 CG1 ILE A 575 5.194 -20.090 -27.794 1.00 25.35 C ATOM 1136 CG2 ILE A 575 4.792 -22.163 -29.192 1.00 21.55 C ATOM 1137 CD1 ILE A 575 4.825 -20.666 -26.435 1.00 73.02 C ATOM 0 H ILE A 575 8.076 -19.940 -28.442 1.00 72.53 H new ATOM 0 HA ILE A 575 6.812 -22.348 -27.334 1.00 24.11 H new ATOM 0 HB ILE A 575 6.101 -20.562 -29.689 1.00 43.23 H new ATOM 0 HG12 ILE A 575 5.899 -19.272 -27.646 1.00 25.35 H new ATOM 0 HG13 ILE A 575 4.299 -19.661 -28.245 1.00 25.35 H new ATOM 0 HG21 ILE A 575 3.905 -21.677 -29.599 1.00 21.55 H new ATOM 0 HG22 ILE A 575 5.226 -22.817 -29.948 1.00 21.55 H new ATOM 0 HG23 ILE A 575 4.514 -22.752 -28.318 1.00 21.55 H new ATOM 0 HD11 ILE A 575 4.400 -19.881 -25.810 1.00 73.02 H new ATOM 0 HD12 ILE A 575 4.093 -21.463 -26.564 1.00 73.02 H new ATOM 0 HD13 ILE A 575 5.718 -21.068 -25.956 1.00 73.02 H new ATOM 1149 N PHE A 576 7.583 -23.886 -29.189 1.00 21.31 N ATOM 1150 CA PHE A 576 8.209 -24.778 -30.119 1.00 3.23 C ATOM 1151 C PHE A 576 7.169 -25.689 -30.753 1.00 3.20 C ATOM 1152 O PHE A 576 6.045 -25.799 -30.275 1.00 42.24 O ATOM 1153 CB PHE A 576 9.281 -25.634 -29.435 1.00 3.33 C ATOM 1154 CG PHE A 576 10.341 -24.868 -28.675 1.00 14.24 C ATOM 1155 CD1 PHE A 576 11.236 -24.029 -29.325 1.00 74.54 C ATOM 1156 CD2 PHE A 576 10.450 -25.014 -27.305 1.00 5.21 C ATOM 1157 CE1 PHE A 576 12.212 -23.351 -28.612 1.00 12.44 C ATOM 1158 CE2 PHE A 576 11.416 -24.346 -26.594 1.00 22.21 C ATOM 1159 CZ PHE A 576 12.299 -23.513 -27.242 1.00 61.34 C ATOM 0 H PHE A 576 6.990 -24.344 -28.497 1.00 21.31 H new ATOM 0 HA PHE A 576 8.687 -24.172 -30.888 1.00 3.23 H new ATOM 0 HB2 PHE A 576 8.788 -26.319 -28.745 1.00 3.33 H new ATOM 0 HB3 PHE A 576 9.772 -26.244 -30.193 1.00 3.33 H new ATOM 0 HD1 PHE A 576 11.171 -23.904 -30.396 1.00 74.54 H new ATOM 0 HD2 PHE A 576 9.763 -25.665 -26.785 1.00 5.21 H new ATOM 0 HE1 PHE A 576 12.902 -22.698 -29.125 1.00 12.44 H new ATOM 0 HE2 PHE A 576 11.483 -24.475 -25.524 1.00 22.21 H new ATOM 0 HZ PHE A 576 13.058 -22.987 -26.682 1.00 61.34 H new ATOM 1308 N CYS A 585 -2.556 -27.753 -26.900 1.00 62.21 N ATOM 1309 CA CYS A 585 -1.905 -27.769 -25.632 1.00 23.40 C ATOM 1310 C CYS A 585 -2.185 -26.475 -24.923 1.00 35.41 C ATOM 1311 O CYS A 585 -2.232 -25.414 -25.558 1.00 64.32 O ATOM 1312 CB CYS A 585 -0.402 -27.958 -25.790 1.00 65.42 C ATOM 1313 SG CYS A 585 0.092 -29.407 -26.726 1.00 64.44 S ATOM 0 HA CYS A 585 -2.289 -28.606 -25.049 1.00 23.40 H new ATOM 0 HB2 CYS A 585 0.010 -27.074 -26.276 1.00 65.42 H new ATOM 0 HB3 CYS A 585 0.047 -28.015 -24.798 1.00 65.42 H new ATOM 0 HG CYS A 585 1.389 -29.458 -26.794 1.00 64.44 H new ATOM 1319 N SER A 586 -2.411 -26.534 -23.644 1.00 42.11 N ATOM 1320 CA SER A 586 -2.618 -25.345 -22.901 1.00 30.32 C ATOM 1321 C SER A 586 -1.921 -25.409 -21.559 1.00 51.11 C ATOM 1322 O SER A 586 -2.270 -26.215 -20.687 1.00 0.11 O ATOM 1323 CB SER A 586 -4.106 -25.047 -22.770 1.00 65.42 C ATOM 1324 OG SER A 586 -4.835 -26.173 -22.278 1.00 71.25 O ATOM 0 H SER A 586 -2.455 -27.397 -23.101 1.00 42.11 H new ATOM 0 HA SER A 586 -2.169 -24.514 -23.445 1.00 30.32 H new ATOM 0 HB2 SER A 586 -4.249 -24.201 -22.098 1.00 65.42 H new ATOM 0 HB3 SER A 586 -4.504 -24.753 -23.741 1.00 65.42 H new ATOM 0 HG SER A 586 -4.323 -26.607 -21.564 1.00 71.25 H new ATOM 1330 N PHE A 587 -0.937 -24.576 -21.399 1.00 62.14 N ATOM 1331 CA PHE A 587 -0.198 -24.513 -20.169 1.00 4.22 C ATOM 1332 C PHE A 587 -0.539 -23.210 -19.480 1.00 11.13 C ATOM 1333 O PHE A 587 -1.369 -22.446 -19.972 1.00 50.03 O ATOM 1334 CB PHE A 587 1.334 -24.655 -20.402 1.00 31.11 C ATOM 1335 CG PHE A 587 2.003 -23.550 -21.190 1.00 70.15 C ATOM 1336 CD1 PHE A 587 2.506 -22.423 -20.552 1.00 14.03 C ATOM 1337 CD2 PHE A 587 2.150 -23.651 -22.553 1.00 33.01 C ATOM 1338 CE1 PHE A 587 3.133 -21.428 -21.270 1.00 54.21 C ATOM 1339 CE2 PHE A 587 2.776 -22.654 -23.274 1.00 2.32 C ATOM 1340 CZ PHE A 587 3.267 -21.549 -22.635 1.00 44.11 C ATOM 0 H PHE A 587 -0.622 -23.921 -22.115 1.00 62.14 H new ATOM 0 HA PHE A 587 -0.481 -25.352 -19.533 1.00 4.22 H new ATOM 0 HB2 PHE A 587 1.822 -24.724 -19.430 1.00 31.11 H new ATOM 0 HB3 PHE A 587 1.515 -25.599 -20.917 1.00 31.11 H new ATOM 0 HD1 PHE A 587 2.404 -22.326 -19.481 1.00 14.03 H new ATOM 0 HD2 PHE A 587 1.771 -24.522 -23.067 1.00 33.01 H new ATOM 0 HE1 PHE A 587 3.518 -20.555 -20.763 1.00 54.21 H new ATOM 0 HE2 PHE A 587 2.878 -22.747 -24.345 1.00 2.32 H new ATOM 0 HZ PHE A 587 3.759 -20.772 -23.201 1.00 44.11 H new ATOM 1350 N SER A 588 0.049 -22.945 -18.364 1.00 13.21 N ATOM 1351 CA SER A 588 -0.212 -21.710 -17.695 1.00 4.54 C ATOM 1352 C SER A 588 1.080 -21.085 -17.216 1.00 23.20 C ATOM 1353 O SER A 588 2.130 -21.707 -17.260 1.00 31.35 O ATOM 1354 CB SER A 588 -1.195 -21.921 -16.538 1.00 61.22 C ATOM 1355 OG SER A 588 -2.371 -22.566 -17.000 1.00 44.22 O ATOM 0 H SER A 588 0.712 -23.562 -17.894 1.00 13.21 H new ATOM 0 HA SER A 588 -0.675 -21.020 -18.401 1.00 4.54 H new ATOM 0 HB2 SER A 588 -0.726 -22.521 -15.758 1.00 61.22 H new ATOM 0 HB3 SER A 588 -1.451 -20.961 -16.090 1.00 61.22 H new ATOM 0 HG SER A 588 -2.989 -22.696 -16.251 1.00 44.22 H new ATOM 1361 N LEU A 589 0.999 -19.867 -16.826 1.00 13.44 N ATOM 1362 CA LEU A 589 2.090 -19.131 -16.281 1.00 74.24 C ATOM 1363 C LEU A 589 1.561 -18.346 -15.110 1.00 54.03 C ATOM 1364 O LEU A 589 0.483 -17.747 -15.201 1.00 35.14 O ATOM 1365 CB LEU A 589 2.684 -18.198 -17.352 1.00 14.02 C ATOM 1366 CG LEU A 589 3.768 -17.208 -16.895 1.00 13.45 C ATOM 1367 CD1 LEU A 589 4.962 -17.914 -16.322 1.00 53.13 C ATOM 1368 CD2 LEU A 589 4.207 -16.347 -18.034 1.00 53.25 C ATOM 0 H LEU A 589 0.135 -19.328 -16.878 1.00 13.44 H new ATOM 0 HA LEU A 589 2.888 -19.797 -15.953 1.00 74.24 H new ATOM 0 HB2 LEU A 589 3.104 -18.817 -18.145 1.00 14.02 H new ATOM 0 HB3 LEU A 589 1.868 -17.626 -17.793 1.00 14.02 H new ATOM 0 HG LEU A 589 3.325 -16.589 -16.115 1.00 13.45 H new ATOM 0 HD11 LEU A 589 5.705 -17.179 -16.011 1.00 53.13 H new ATOM 0 HD12 LEU A 589 4.655 -18.507 -15.460 1.00 53.13 H new ATOM 0 HD13 LEU A 589 5.395 -18.569 -17.078 1.00 53.13 H new ATOM 0 HD21 LEU A 589 4.974 -15.653 -17.691 1.00 53.25 H new ATOM 0 HD22 LEU A 589 4.613 -16.973 -18.828 1.00 53.25 H new ATOM 0 HD23 LEU A 589 3.354 -15.785 -18.415 1.00 53.25 H new ATOM 1380 N VAL A 590 2.256 -18.402 -14.012 1.00 24.53 N ATOM 1381 CA VAL A 590 1.862 -17.689 -12.823 1.00 33.15 C ATOM 1382 C VAL A 590 3.051 -16.931 -12.265 1.00 53.34 C ATOM 1383 O VAL A 590 4.212 -17.255 -12.575 1.00 71.22 O ATOM 1384 CB VAL A 590 1.251 -18.617 -11.720 1.00 1.24 C ATOM 1385 CG1 VAL A 590 -0.063 -19.238 -12.182 1.00 51.04 C ATOM 1386 CG2 VAL A 590 2.234 -19.709 -11.313 1.00 30.42 C ATOM 0 H VAL A 590 3.115 -18.943 -13.911 1.00 24.53 H new ATOM 0 HA VAL A 590 1.074 -16.995 -13.115 1.00 33.15 H new ATOM 0 HB VAL A 590 1.047 -17.993 -10.850 1.00 1.24 H new ATOM 0 HG11 VAL A 590 -0.461 -19.877 -11.393 1.00 51.04 H new ATOM 0 HG12 VAL A 590 -0.780 -18.448 -12.406 1.00 51.04 H new ATOM 0 HG13 VAL A 590 0.111 -19.834 -13.078 1.00 51.04 H new ATOM 0 HG21 VAL A 590 1.782 -20.338 -10.546 1.00 30.42 H new ATOM 0 HG22 VAL A 590 2.481 -20.318 -12.182 1.00 30.42 H new ATOM 0 HG23 VAL A 590 3.142 -19.253 -10.920 1.00 30.42 H new ATOM 1396 N LEU A 591 2.766 -15.935 -11.476 1.00 34.24 N ATOM 1397 CA LEU A 591 3.781 -15.103 -10.883 1.00 34.45 C ATOM 1398 C LEU A 591 3.975 -15.505 -9.433 1.00 21.32 C ATOM 1399 O LEU A 591 3.012 -15.897 -8.757 1.00 32.54 O ATOM 1400 CB LEU A 591 3.354 -13.636 -10.959 1.00 25.43 C ATOM 1401 CG LEU A 591 3.129 -13.062 -12.365 1.00 3.41 C ATOM 1402 CD1 LEU A 591 2.483 -11.692 -12.288 1.00 55.50 C ATOM 1403 CD2 LEU A 591 4.442 -12.974 -13.122 1.00 73.30 C ATOM 0 H LEU A 591 1.814 -15.673 -11.222 1.00 34.24 H new ATOM 0 HA LEU A 591 4.718 -15.230 -11.424 1.00 34.45 H new ATOM 0 HB2 LEU A 591 2.431 -13.519 -10.391 1.00 25.43 H new ATOM 0 HB3 LEU A 591 4.114 -13.033 -10.461 1.00 25.43 H new ATOM 0 HG LEU A 591 2.459 -13.734 -12.901 1.00 3.41 H new ATOM 0 HD11 LEU A 591 2.333 -11.304 -13.295 1.00 55.50 H new ATOM 0 HD12 LEU A 591 1.521 -11.771 -11.782 1.00 55.50 H new ATOM 0 HD13 LEU A 591 3.131 -11.015 -11.731 1.00 55.50 H new ATOM 0 HD21 LEU A 591 4.262 -12.565 -14.116 1.00 73.30 H new ATOM 0 HD22 LEU A 591 5.131 -12.325 -12.582 1.00 73.30 H new ATOM 0 HD23 LEU A 591 4.877 -13.969 -13.212 1.00 73.30 H new ATOM 1415 N GLU A 592 5.187 -15.417 -8.973 1.00 1.55 N ATOM 1416 CA GLU A 592 5.539 -15.737 -7.605 1.00 51.12 C ATOM 1417 C GLU A 592 5.696 -14.449 -6.832 1.00 23.32 C ATOM 1418 O GLU A 592 5.625 -13.372 -7.433 1.00 0.15 O ATOM 1419 CB GLU A 592 6.842 -16.537 -7.568 1.00 3.34 C ATOM 1420 CG GLU A 592 6.739 -17.911 -8.197 1.00 34.43 C ATOM 1421 CD GLU A 592 5.847 -18.843 -7.411 1.00 61.32 C ATOM 1422 OE1 GLU A 592 4.627 -18.663 -7.400 1.00 24.14 O ATOM 1423 OE2 GLU A 592 6.365 -19.796 -6.792 1.00 2.42 O ATOM 0 H GLU A 592 5.979 -15.116 -9.541 1.00 1.55 H new ATOM 0 HA GLU A 592 4.753 -16.344 -7.155 1.00 51.12 H new ATOM 0 HB2 GLU A 592 7.619 -15.971 -8.082 1.00 3.34 H new ATOM 0 HB3 GLU A 592 7.160 -16.646 -6.531 1.00 3.34 H new ATOM 0 HG2 GLU A 592 6.353 -17.814 -9.212 1.00 34.43 H new ATOM 0 HG3 GLU A 592 7.735 -18.347 -8.275 1.00 34.43 H new ATOM 1430 N GLU A 593 5.903 -14.544 -5.527 1.00 2.13 N ATOM 1431 CA GLU A 593 6.063 -13.364 -4.704 1.00 32.41 C ATOM 1432 C GLU A 593 7.337 -12.600 -5.052 1.00 1.12 C ATOM 1433 O GLU A 593 8.459 -13.125 -4.919 1.00 44.21 O ATOM 1434 CB GLU A 593 5.979 -13.645 -3.181 1.00 1.43 C ATOM 1435 CG GLU A 593 6.837 -14.797 -2.659 1.00 11.42 C ATOM 1436 CD GLU A 593 6.173 -16.134 -2.838 1.00 24.03 C ATOM 1437 OE1 GLU A 593 6.261 -16.728 -3.935 1.00 25.42 O ATOM 1438 OE2 GLU A 593 5.505 -16.601 -1.879 1.00 44.43 O ATOM 0 H GLU A 593 5.963 -15.427 -5.020 1.00 2.13 H new ATOM 0 HA GLU A 593 5.207 -12.731 -4.941 1.00 32.41 H new ATOM 0 HB2 GLU A 593 6.264 -12.737 -2.649 1.00 1.43 H new ATOM 0 HB3 GLU A 593 4.939 -13.850 -2.927 1.00 1.43 H new ATOM 0 HG2 GLU A 593 7.795 -14.798 -3.179 1.00 11.42 H new ATOM 0 HG3 GLU A 593 7.049 -14.638 -1.602 1.00 11.42 H new ATOM 1445 N PRO A 594 7.183 -11.366 -5.526 1.00 71.13 N ATOM 1446 CA PRO A 594 8.299 -10.537 -5.896 1.00 11.22 C ATOM 1447 C PRO A 594 9.069 -10.063 -4.679 1.00 1.11 C ATOM 1448 O PRO A 594 8.505 -9.871 -3.598 1.00 64.01 O ATOM 1449 CB PRO A 594 7.660 -9.363 -6.639 1.00 45.22 C ATOM 1450 CG PRO A 594 6.271 -9.294 -6.128 1.00 23.54 C ATOM 1451 CD PRO A 594 5.893 -10.682 -5.724 1.00 12.25 C ATOM 0 HA PRO A 594 9.027 -11.072 -6.506 1.00 11.22 H new ATOM 0 HB2 PRO A 594 8.198 -8.435 -6.446 1.00 45.22 H new ATOM 0 HB3 PRO A 594 7.676 -9.523 -7.717 1.00 45.22 H new ATOM 0 HG2 PRO A 594 6.204 -8.612 -5.280 1.00 23.54 H new ATOM 0 HG3 PRO A 594 5.595 -8.916 -6.895 1.00 23.54 H new ATOM 0 HD2 PRO A 594 5.298 -10.683 -4.811 1.00 12.25 H new ATOM 0 HD3 PRO A 594 5.297 -11.172 -6.494 1.00 12.25 H new ATOM 1459 N LYS A 595 10.339 -9.903 -4.834 1.00 14.35 N ATOM 1460 CA LYS A 595 11.161 -9.454 -3.754 1.00 42.40 C ATOM 1461 C LYS A 595 11.692 -8.094 -4.067 1.00 64.24 C ATOM 1462 O LYS A 595 12.045 -7.801 -5.214 1.00 3.55 O ATOM 1463 CB LYS A 595 12.305 -10.433 -3.437 1.00 13.10 C ATOM 1464 CG LYS A 595 13.249 -10.735 -4.595 1.00 12.45 C ATOM 1465 CD LYS A 595 14.396 -11.607 -4.125 1.00 33.02 C ATOM 1466 CE LYS A 595 15.308 -12.023 -5.267 1.00 53.40 C ATOM 1467 NZ LYS A 595 16.427 -12.858 -4.788 1.00 54.02 N ATOM 0 H LYS A 595 10.838 -10.078 -5.706 1.00 14.35 H new ATOM 0 HA LYS A 595 10.542 -9.407 -2.858 1.00 42.40 H new ATOM 0 HB2 LYS A 595 12.889 -10.027 -2.611 1.00 13.10 H new ATOM 0 HB3 LYS A 595 11.872 -11.371 -3.090 1.00 13.10 H new ATOM 0 HG2 LYS A 595 12.705 -11.238 -5.395 1.00 12.45 H new ATOM 0 HG3 LYS A 595 13.637 -9.804 -5.009 1.00 12.45 H new ATOM 0 HD2 LYS A 595 14.977 -11.068 -3.377 1.00 33.02 H new ATOM 0 HD3 LYS A 595 13.997 -12.497 -3.638 1.00 33.02 H new ATOM 0 HE2 LYS A 595 14.733 -12.575 -6.011 1.00 53.40 H new ATOM 0 HE3 LYS A 595 15.701 -11.135 -5.762 1.00 53.40 H new ATOM 0 HZ1 LYS A 595 17.030 -13.125 -5.592 1.00 54.02 H new ATOM 0 HZ2 LYS A 595 16.989 -12.322 -4.096 1.00 54.02 H new ATOM 0 HZ3 LYS A 595 16.051 -13.717 -4.337 1.00 54.02 H new ATOM 1481 N TRP A 596 11.732 -7.266 -3.084 1.00 75.43 N ATOM 1482 CA TRP A 596 12.212 -5.943 -3.259 1.00 65.24 C ATOM 1483 C TRP A 596 13.680 -5.984 -2.933 1.00 13.13 C ATOM 1484 O TRP A 596 14.069 -6.496 -1.879 1.00 52.14 O ATOM 1485 CB TRP A 596 11.480 -4.997 -2.306 1.00 44.03 C ATOM 1486 CG TRP A 596 11.559 -3.546 -2.676 1.00 64.24 C ATOM 1487 CD1 TRP A 596 12.680 -2.819 -2.907 1.00 24.21 C ATOM 1488 CD2 TRP A 596 10.457 -2.645 -2.834 1.00 34.15 C ATOM 1489 NE1 TRP A 596 12.352 -1.525 -3.203 1.00 74.22 N ATOM 1490 CE2 TRP A 596 10.992 -1.389 -3.162 1.00 11.34 C ATOM 1491 CE3 TRP A 596 9.067 -2.779 -2.732 1.00 53.42 C ATOM 1492 CZ2 TRP A 596 10.192 -0.278 -3.389 1.00 52.25 C ATOM 1493 CZ3 TRP A 596 8.274 -1.673 -2.957 1.00 23.51 C ATOM 1494 CH2 TRP A 596 8.837 -0.439 -3.282 1.00 71.22 C ATOM 0 H TRP A 596 11.432 -7.488 -2.135 1.00 75.43 H new ATOM 0 HA TRP A 596 12.045 -5.583 -4.274 1.00 65.24 H new ATOM 0 HB2 TRP A 596 10.431 -5.289 -2.261 1.00 44.03 H new ATOM 0 HB3 TRP A 596 11.890 -5.125 -1.304 1.00 44.03 H new ATOM 0 HD1 TRP A 596 13.687 -3.206 -2.863 1.00 24.21 H new ATOM 0 HE1 TRP A 596 13.015 -0.781 -3.420 1.00 74.22 H new ATOM 0 HE3 TRP A 596 8.624 -3.731 -2.482 1.00 53.42 H new ATOM 0 HZ2 TRP A 596 10.623 0.680 -3.641 1.00 52.25 H new ATOM 0 HZ3 TRP A 596 7.201 -1.764 -2.880 1.00 23.51 H new ATOM 0 HH2 TRP A 596 8.189 0.408 -3.453 1.00 71.22 H new ATOM 1505 N ILE A 597 14.484 -5.498 -3.812 1.00 72.23 N ATOM 1506 CA ILE A 597 15.895 -5.516 -3.602 1.00 13.31 C ATOM 1507 C ILE A 597 16.269 -4.339 -2.761 1.00 75.15 C ATOM 1508 O ILE A 597 16.178 -3.183 -3.191 1.00 32.53 O ATOM 1509 CB ILE A 597 16.682 -5.558 -4.929 1.00 3.32 C ATOM 1510 CG1 ILE A 597 16.309 -6.829 -5.712 1.00 34.43 C ATOM 1511 CG2 ILE A 597 18.191 -5.464 -4.709 1.00 14.43 C ATOM 1512 CD1 ILE A 597 16.442 -8.118 -4.921 1.00 22.40 C ATOM 0 H ILE A 597 14.188 -5.078 -4.693 1.00 72.23 H new ATOM 0 HA ILE A 597 16.166 -6.431 -3.076 1.00 13.31 H new ATOM 0 HB ILE A 597 16.403 -4.683 -5.516 1.00 3.32 H new ATOM 0 HG12 ILE A 597 15.281 -6.736 -6.061 1.00 34.43 H new ATOM 0 HG13 ILE A 597 16.942 -6.894 -6.597 1.00 34.43 H new ATOM 0 HG21 ILE A 597 18.702 -5.498 -5.671 1.00 14.43 H new ATOM 0 HG22 ILE A 597 18.428 -4.527 -4.205 1.00 14.43 H new ATOM 0 HG23 ILE A 597 18.522 -6.300 -4.093 1.00 14.43 H new ATOM 0 HD11 ILE A 597 16.159 -8.962 -5.550 1.00 22.40 H new ATOM 0 HD12 ILE A 597 17.475 -8.239 -4.594 1.00 22.40 H new ATOM 0 HD13 ILE A 597 15.788 -8.080 -4.050 1.00 22.40 H new ATOM 2107 N ILE A 634 3.832 -7.350 -3.801 1.00 3.52 N ATOM 2108 CA ILE A 634 3.091 -8.568 -3.994 1.00 25.41 C ATOM 2109 C ILE A 634 2.316 -8.532 -5.297 1.00 30.53 C ATOM 2110 O ILE A 634 2.425 -7.583 -6.074 1.00 12.32 O ATOM 2111 CB ILE A 634 2.146 -8.950 -2.796 1.00 35.54 C ATOM 2112 CG1 ILE A 634 1.053 -7.883 -2.487 1.00 63.21 C ATOM 2113 CG2 ILE A 634 2.964 -9.252 -1.548 1.00 52.12 C ATOM 2114 CD1 ILE A 634 1.546 -6.608 -1.815 1.00 14.25 C ATOM 0 HA ILE A 634 3.842 -9.357 -4.040 1.00 25.41 H new ATOM 0 HB ILE A 634 1.610 -9.845 -3.111 1.00 35.54 H new ATOM 0 HG12 ILE A 634 0.561 -7.613 -3.421 1.00 63.21 H new ATOM 0 HG13 ILE A 634 0.296 -8.339 -1.849 1.00 63.21 H new ATOM 0 HG21 ILE A 634 2.295 -9.514 -0.729 1.00 52.12 H new ATOM 0 HG22 ILE A 634 3.638 -10.085 -1.747 1.00 52.12 H new ATOM 0 HG23 ILE A 634 3.546 -8.373 -1.273 1.00 52.12 H new ATOM 0 HD11 ILE A 634 0.704 -5.937 -1.647 1.00 14.25 H new ATOM 0 HD12 ILE A 634 2.009 -6.856 -0.860 1.00 14.25 H new ATOM 0 HD13 ILE A 634 2.278 -6.118 -2.457 1.00 14.25 H new ATOM 2126 N LEU A 635 1.567 -9.566 -5.547 1.00 12.21 N ATOM 2127 CA LEU A 635 0.808 -9.677 -6.761 1.00 71.10 C ATOM 2128 C LEU A 635 -0.569 -9.068 -6.539 1.00 41.51 C ATOM 2129 O LEU A 635 -0.825 -8.460 -5.494 1.00 30.34 O ATOM 2130 CB LEU A 635 0.682 -11.156 -7.214 1.00 32.14 C ATOM 2131 CG LEU A 635 1.987 -11.937 -7.529 1.00 32.24 C ATOM 2132 CD1 LEU A 635 2.888 -11.166 -8.463 1.00 14.00 C ATOM 2133 CD2 LEU A 635 2.735 -12.349 -6.274 1.00 73.03 C ATOM 0 H LEU A 635 1.464 -10.359 -4.914 1.00 12.21 H new ATOM 0 HA LEU A 635 1.327 -9.138 -7.554 1.00 71.10 H new ATOM 0 HB2 LEU A 635 0.148 -11.699 -6.435 1.00 32.14 H new ATOM 0 HB3 LEU A 635 0.055 -11.180 -8.106 1.00 32.14 H new ATOM 0 HG LEU A 635 1.680 -12.852 -8.035 1.00 32.24 H new ATOM 0 HD11 LEU A 635 3.790 -11.745 -8.659 1.00 14.00 H new ATOM 0 HD12 LEU A 635 2.365 -10.980 -9.401 1.00 14.00 H new ATOM 0 HD13 LEU A 635 3.160 -10.215 -8.004 1.00 14.00 H new ATOM 0 HD21 LEU A 635 3.639 -12.891 -6.551 1.00 73.03 H new ATOM 0 HD22 LEU A 635 3.005 -11.461 -5.703 1.00 73.03 H new ATOM 0 HD23 LEU A 635 2.098 -12.991 -5.665 1.00 73.03 H new ATOM 2145 N GLY A 636 -1.431 -9.187 -7.513 1.00 71.42 N ATOM 2146 CA GLY A 636 -2.774 -8.686 -7.365 1.00 21.01 C ATOM 2147 C GLY A 636 -3.669 -9.653 -6.611 1.00 53.32 C ATOM 2148 O GLY A 636 -3.193 -10.462 -5.791 1.00 32.33 O ATOM 0 H GLY A 636 -1.231 -9.623 -8.413 1.00 71.42 H new ATOM 0 HA2 GLY A 636 -2.748 -7.732 -6.838 1.00 21.01 H new ATOM 0 HA3 GLY A 636 -3.199 -8.494 -8.350 1.00 21.01 H new ATOM 2152 N GLU A 637 -4.952 -9.588 -6.886 1.00 61.13 N ATOM 2153 CA GLU A 637 -5.929 -10.452 -6.255 1.00 42.11 C ATOM 2154 C GLU A 637 -5.664 -11.888 -6.664 1.00 71.24 C ATOM 2155 O GLU A 637 -5.691 -12.814 -5.847 1.00 53.42 O ATOM 2156 CB GLU A 637 -7.332 -10.022 -6.666 1.00 55.14 C ATOM 2157 CG GLU A 637 -8.429 -10.729 -5.903 1.00 15.31 C ATOM 2158 CD GLU A 637 -8.310 -10.531 -4.411 1.00 74.41 C ATOM 2159 OE1 GLU A 637 -8.547 -9.417 -3.933 1.00 44.22 O ATOM 2160 OE2 GLU A 637 -7.985 -11.493 -3.685 1.00 51.41 O ATOM 0 H GLU A 637 -5.351 -8.932 -7.557 1.00 61.13 H new ATOM 0 HA GLU A 637 -5.849 -10.376 -5.171 1.00 42.11 H new ATOM 0 HB2 GLU A 637 -7.432 -8.947 -6.517 1.00 55.14 H new ATOM 0 HB3 GLU A 637 -7.463 -10.210 -7.732 1.00 55.14 H new ATOM 0 HG2 GLU A 637 -9.398 -10.361 -6.240 1.00 15.31 H new ATOM 0 HG3 GLU A 637 -8.397 -11.795 -6.129 1.00 15.31 H new ATOM 2167 N HIS A 638 -5.370 -12.044 -7.916 1.00 51.42 N ATOM 2168 CA HIS A 638 -5.056 -13.287 -8.548 1.00 71.40 C ATOM 2169 C HIS A 638 -4.491 -12.966 -9.886 1.00 73.04 C ATOM 2170 O HIS A 638 -4.874 -11.958 -10.487 1.00 24.53 O ATOM 2171 CB HIS A 638 -6.299 -14.195 -8.661 1.00 51.45 C ATOM 2172 CG HIS A 638 -7.568 -13.480 -9.048 1.00 3.04 C ATOM 2173 ND1 HIS A 638 -8.550 -13.187 -8.143 1.00 71.43 N ATOM 2174 CD2 HIS A 638 -7.961 -12.927 -10.218 1.00 50.32 C ATOM 2175 CE1 HIS A 638 -9.477 -12.466 -8.748 1.00 43.15 C ATOM 2176 NE2 HIS A 638 -9.176 -12.280 -10.025 1.00 53.34 N ATOM 0 H HIS A 638 -5.341 -11.258 -8.565 1.00 51.42 H new ATOM 0 HA HIS A 638 -4.333 -13.844 -7.953 1.00 71.40 H new ATOM 0 HB2 HIS A 638 -6.098 -14.973 -9.397 1.00 51.45 H new ATOM 0 HB3 HIS A 638 -6.456 -14.694 -7.705 1.00 51.45 H new ATOM 0 HD2 HIS A 638 -7.419 -12.980 -11.151 1.00 50.32 H new ATOM 0 HE1 HIS A 638 -10.363 -12.079 -8.266 1.00 43.15 H new ATOM 0 HE2 HIS A 638 -9.721 -11.770 -10.720 1.00 53.34 H new ATOM 2184 N THR A 639 -3.567 -13.735 -10.331 1.00 61.34 N ATOM 2185 CA THR A 639 -2.975 -13.485 -11.590 1.00 42.30 C ATOM 2186 C THR A 639 -2.439 -14.787 -12.198 1.00 34.11 C ATOM 2187 O THR A 639 -1.568 -15.468 -11.627 1.00 50.33 O ATOM 2188 CB THR A 639 -1.901 -12.343 -11.499 1.00 52.52 C ATOM 2189 OG1 THR A 639 -1.452 -11.972 -12.797 1.00 63.42 O ATOM 2190 CG2 THR A 639 -0.712 -12.723 -10.611 1.00 45.45 C ATOM 0 H THR A 639 -3.202 -14.549 -9.837 1.00 61.34 H new ATOM 0 HA THR A 639 -3.738 -13.115 -12.275 1.00 42.30 H new ATOM 0 HB THR A 639 -2.389 -11.488 -11.031 1.00 52.52 H new ATOM 0 HG1 THR A 639 -0.893 -12.687 -13.167 1.00 63.42 H new ATOM 0 HG21 THR A 639 -0.000 -11.898 -10.583 1.00 45.45 H new ATOM 0 HG22 THR A 639 -1.064 -12.932 -9.601 1.00 45.45 H new ATOM 0 HG23 THR A 639 -0.224 -13.610 -11.016 1.00 45.45 H new ATOM 2198 N LYS A 640 -3.007 -15.159 -13.312 1.00 0.02 N ATOM 2199 CA LYS A 640 -2.642 -16.358 -13.999 1.00 73.31 C ATOM 2200 C LYS A 640 -2.786 -16.103 -15.470 1.00 71.42 C ATOM 2201 O LYS A 640 -3.681 -15.371 -15.885 1.00 71.03 O ATOM 2202 CB LYS A 640 -3.554 -17.532 -13.599 1.00 20.24 C ATOM 2203 CG LYS A 640 -3.145 -18.863 -14.235 1.00 14.23 C ATOM 2204 CD LYS A 640 -4.187 -19.957 -14.055 1.00 14.45 C ATOM 2205 CE LYS A 640 -4.464 -20.292 -12.598 1.00 53.42 C ATOM 2206 NZ LYS A 640 -5.488 -21.354 -12.476 1.00 54.33 N ATOM 0 H LYS A 640 -3.746 -14.627 -13.771 1.00 0.02 H new ATOM 0 HA LYS A 640 -1.618 -16.625 -13.738 1.00 73.31 H new ATOM 0 HB2 LYS A 640 -3.543 -17.638 -12.514 1.00 20.24 H new ATOM 0 HB3 LYS A 640 -4.580 -17.300 -13.887 1.00 20.24 H new ATOM 0 HG2 LYS A 640 -2.968 -18.711 -15.300 1.00 14.23 H new ATOM 0 HG3 LYS A 640 -2.202 -19.193 -13.799 1.00 14.23 H new ATOM 0 HD2 LYS A 640 -5.116 -19.645 -14.532 1.00 14.45 H new ATOM 0 HD3 LYS A 640 -3.851 -20.857 -14.570 1.00 14.45 H new ATOM 0 HE2 LYS A 640 -3.542 -20.616 -12.115 1.00 53.42 H new ATOM 0 HE3 LYS A 640 -4.801 -19.397 -12.074 1.00 53.42 H new ATOM 0 HZ1 LYS A 640 -5.656 -21.561 -11.471 1.00 54.33 H new ATOM 0 HZ2 LYS A 640 -6.374 -21.034 -12.916 1.00 54.33 H new ATOM 0 HZ3 LYS A 640 -5.155 -22.215 -12.956 1.00 54.33 H new ATOM 2220 N LEU A 641 -1.902 -16.653 -16.228 1.00 23.14 N ATOM 2221 CA LEU A 641 -1.941 -16.556 -17.649 1.00 22.33 C ATOM 2222 C LEU A 641 -1.995 -17.944 -18.227 1.00 74.32 C ATOM 2223 O LEU A 641 -1.067 -18.718 -18.073 1.00 31.44 O ATOM 2224 CB LEU A 641 -0.697 -15.847 -18.148 1.00 13.44 C ATOM 2225 CG LEU A 641 -0.543 -15.745 -19.654 1.00 1.14 C ATOM 2226 CD1 LEU A 641 -1.573 -14.802 -20.256 1.00 24.23 C ATOM 2227 CD2 LEU A 641 0.860 -15.333 -20.007 1.00 12.43 C ATOM 0 H LEU A 641 -1.115 -17.195 -15.872 1.00 23.14 H new ATOM 0 HA LEU A 641 -2.820 -15.990 -17.957 1.00 22.33 H new ATOM 0 HB2 LEU A 641 -0.688 -14.839 -17.734 1.00 13.44 H new ATOM 0 HB3 LEU A 641 0.176 -16.364 -17.749 1.00 13.44 H new ATOM 0 HG LEU A 641 -0.726 -16.729 -20.085 1.00 1.14 H new ATOM 0 HD11 LEU A 641 -1.434 -14.753 -21.336 1.00 24.23 H new ATOM 0 HD12 LEU A 641 -2.575 -15.169 -20.036 1.00 24.23 H new ATOM 0 HD13 LEU A 641 -1.449 -13.807 -19.828 1.00 24.23 H new ATOM 0 HD21 LEU A 641 0.957 -15.264 -21.090 1.00 12.43 H new ATOM 0 HD22 LEU A 641 1.078 -14.363 -19.560 1.00 12.43 H new ATOM 0 HD23 LEU A 641 1.563 -16.074 -19.626 1.00 12.43 H new ATOM 2239 N GLU A 642 -3.077 -18.268 -18.828 1.00 24.23 N ATOM 2240 CA GLU A 642 -3.220 -19.525 -19.488 1.00 3.20 C ATOM 2241 C GLU A 642 -2.821 -19.337 -20.930 1.00 32.22 C ATOM 2242 O GLU A 642 -3.363 -18.471 -21.629 1.00 73.01 O ATOM 2243 CB GLU A 642 -4.648 -20.015 -19.373 1.00 50.23 C ATOM 2244 CG GLU A 642 -5.100 -20.191 -17.935 1.00 42.13 C ATOM 2245 CD GLU A 642 -6.543 -20.576 -17.819 1.00 51.32 C ATOM 2246 OE1 GLU A 642 -6.853 -21.783 -17.858 1.00 72.32 O ATOM 2247 OE2 GLU A 642 -7.401 -19.691 -17.661 1.00 61.04 O ATOM 0 H GLU A 642 -3.900 -17.668 -18.881 1.00 24.23 H new ATOM 0 HA GLU A 642 -2.581 -20.278 -19.027 1.00 3.20 H new ATOM 0 HB2 GLU A 642 -5.310 -19.308 -19.872 1.00 50.23 H new ATOM 0 HB3 GLU A 642 -4.743 -20.966 -19.897 1.00 50.23 H new ATOM 0 HG2 GLU A 642 -4.486 -20.955 -17.458 1.00 42.13 H new ATOM 0 HG3 GLU A 642 -4.933 -19.262 -17.391 1.00 42.13 H new ATOM 2254 N VAL A 643 -1.868 -20.098 -21.361 1.00 44.41 N ATOM 2255 CA VAL A 643 -1.340 -19.969 -22.693 1.00 3.14 C ATOM 2256 C VAL A 643 -1.681 -21.190 -23.477 1.00 62.42 C ATOM 2257 O VAL A 643 -1.266 -22.308 -23.142 1.00 63.44 O ATOM 2258 CB VAL A 643 0.197 -19.748 -22.721 1.00 61.21 C ATOM 2259 CG1 VAL A 643 0.696 -19.524 -24.147 1.00 13.25 C ATOM 2260 CG2 VAL A 643 0.609 -18.596 -21.826 1.00 1.11 C ATOM 0 H VAL A 643 -1.428 -20.830 -20.803 1.00 44.41 H new ATOM 0 HA VAL A 643 -1.795 -19.083 -23.135 1.00 3.14 H new ATOM 0 HB VAL A 643 0.661 -20.655 -22.335 1.00 61.21 H new ATOM 0 HG11 VAL A 643 1.775 -19.372 -24.135 1.00 13.25 H new ATOM 0 HG12 VAL A 643 0.459 -20.396 -24.757 1.00 13.25 H new ATOM 0 HG13 VAL A 643 0.210 -18.644 -24.568 1.00 13.25 H new ATOM 0 HG21 VAL A 643 1.691 -18.470 -21.870 1.00 1.11 H new ATOM 0 HG22 VAL A 643 0.123 -17.681 -22.164 1.00 1.11 H new ATOM 0 HG23 VAL A 643 0.310 -18.808 -20.799 1.00 1.11 H new ATOM 2270 N ILE A 644 -2.431 -20.985 -24.493 1.00 73.52 N ATOM 2271 CA ILE A 644 -2.863 -22.035 -25.320 1.00 60.54 C ATOM 2272 C ILE A 644 -2.073 -21.977 -26.598 1.00 43.22 C ATOM 2273 O ILE A 644 -2.035 -20.939 -27.258 1.00 21.31 O ATOM 2274 CB ILE A 644 -4.386 -21.953 -25.636 1.00 3.04 C ATOM 2275 CG1 ILE A 644 -5.242 -21.989 -24.345 1.00 24.04 C ATOM 2276 CG2 ILE A 644 -4.802 -23.094 -26.565 1.00 43.11 C ATOM 2277 CD1 ILE A 644 -5.308 -20.697 -23.546 1.00 33.31 C ATOM 0 H ILE A 644 -2.766 -20.064 -24.775 1.00 73.52 H new ATOM 0 HA ILE A 644 -2.700 -22.978 -24.798 1.00 60.54 H new ATOM 0 HB ILE A 644 -4.564 -20.999 -26.133 1.00 3.04 H new ATOM 0 HG12 ILE A 644 -6.258 -22.276 -24.616 1.00 24.04 H new ATOM 0 HG13 ILE A 644 -4.851 -22.773 -23.697 1.00 24.04 H new ATOM 0 HG21 ILE A 644 -5.869 -23.021 -26.775 1.00 43.11 H new ATOM 0 HG22 ILE A 644 -4.243 -23.026 -27.498 1.00 43.11 H new ATOM 0 HG23 ILE A 644 -4.591 -24.049 -26.085 1.00 43.11 H new ATOM 0 HD11 ILE A 644 -5.935 -20.845 -22.666 1.00 33.31 H new ATOM 0 HD12 ILE A 644 -4.304 -20.411 -23.232 1.00 33.31 H new ATOM 0 HD13 ILE A 644 -5.733 -19.907 -24.166 1.00 33.31 H new ATOM 2289 N ILE A 645 -1.418 -23.046 -26.916 1.00 55.25 N ATOM 2290 CA ILE A 645 -0.645 -23.119 -28.114 1.00 63.12 C ATOM 2291 C ILE A 645 -1.337 -23.976 -29.131 1.00 52.21 C ATOM 2292 O ILE A 645 -1.584 -25.171 -28.911 1.00 10.20 O ATOM 2293 CB ILE A 645 0.838 -23.576 -27.928 1.00 15.43 C ATOM 2294 CG1 ILE A 645 0.987 -24.850 -27.062 1.00 3.52 C ATOM 2295 CG2 ILE A 645 1.691 -22.445 -27.397 1.00 13.12 C ATOM 2296 CD1 ILE A 645 0.905 -24.635 -25.561 1.00 44.42 C ATOM 0 H ILE A 645 -1.404 -23.895 -26.351 1.00 55.25 H new ATOM 0 HA ILE A 645 -0.576 -22.090 -28.468 1.00 63.12 H new ATOM 0 HB ILE A 645 1.200 -23.848 -28.920 1.00 15.43 H new ATOM 0 HG12 ILE A 645 0.211 -25.558 -27.353 1.00 3.52 H new ATOM 0 HG13 ILE A 645 1.946 -25.315 -27.293 1.00 3.52 H new ATOM 0 HG21 ILE A 645 2.718 -22.789 -27.277 1.00 13.12 H new ATOM 0 HG22 ILE A 645 1.668 -21.611 -28.099 1.00 13.12 H new ATOM 0 HG23 ILE A 645 1.303 -22.118 -26.432 1.00 13.12 H new ATOM 0 HD11 ILE A 645 1.021 -25.591 -25.050 1.00 44.42 H new ATOM 0 HD12 ILE A 645 1.698 -23.956 -25.247 1.00 44.42 H new ATOM 0 HD13 ILE A 645 -0.063 -24.204 -25.308 1.00 44.42 H new