USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 799 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 Single : A 506 THR OG1 : rot 103:sc= 1.1 USER MOD Single : A 512 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 513 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.0089) USER MOD Single : A 515 SER OG : rot 180:sc= 0.154 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl -117:sc= -0.762 (180deg=-4.44!) USER MOD Single : A 524 LYS NZ :NH3+ -165:sc= -0.534 (180deg=-0.949!) USER MOD Single : A 528 THR OG1 : rot 111:sc= 0.559 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.42) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ -118:sc= 0.973 (180deg=0.394) USER MOD Single : A 541 THR OG1 : rot 27:sc= -1.06 USER MOD Single : A 545 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot 180:sc= 0 USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 564 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 569 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.825) USER MOD Single : A 570 THR OG1 : rot -176:sc= 1.28 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ -171:sc= -0.0161 (180deg=-0.122) USER MOD Single : A 585 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.05) USER MOD Single : A 586 THR OG1 : rot 35:sc= 0.724 USER MOD Single : A 639 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 640 THR OG1 : rot 51:sc= -0.106 USER MOD Single : A 641 LYS NZ :NH3+ -136:sc= -0.818 (180deg=-3.03!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 502 2.279 -2.404 0.106 1.00 61.04 N ATOM 19 CA ALA A 502 2.164 -3.680 -0.578 1.00 42.13 C ATOM 20 C ALA A 502 0.702 -4.069 -0.809 1.00 64.52 C ATOM 21 O ALA A 502 0.370 -4.748 -1.776 1.00 42.31 O ATOM 22 CB ALA A 502 2.887 -4.746 0.216 1.00 60.11 C ATOM 0 HA ALA A 502 2.627 -3.587 -1.560 1.00 42.13 H new ATOM 0 HB1 ALA A 502 2.801 -5.704 -0.298 1.00 60.11 H new ATOM 0 HB2 ALA A 502 3.939 -4.478 0.310 1.00 60.11 H new ATOM 0 HB3 ALA A 502 2.443 -4.825 1.208 1.00 60.11 H new ATOM 28 N GLY A 503 -0.162 -3.654 0.068 1.00 5.42 N ATOM 29 CA GLY A 503 -1.549 -3.972 -0.087 1.00 54.43 C ATOM 30 C GLY A 503 -2.133 -4.464 1.193 1.00 71.41 C ATOM 31 O GLY A 503 -1.700 -4.063 2.252 1.00 75.01 O ATOM 0 H GLY A 503 0.067 -3.099 0.892 1.00 5.42 H new ATOM 0 HA2 GLY A 503 -2.092 -3.089 -0.422 1.00 54.43 H new ATOM 0 HA3 GLY A 503 -1.667 -4.732 -0.860 1.00 54.43 H new ATOM 35 N ILE A 504 -3.076 -5.371 1.104 1.00 54.42 N ATOM 36 CA ILE A 504 -3.772 -5.841 2.270 1.00 5.41 C ATOM 37 C ILE A 504 -3.602 -7.357 2.440 1.00 72.34 C ATOM 38 O ILE A 504 -4.090 -8.138 1.626 1.00 25.40 O ATOM 39 CB ILE A 504 -5.323 -5.520 2.190 1.00 21.42 C ATOM 40 CG1 ILE A 504 -5.631 -4.015 2.045 1.00 21.20 C ATOM 41 CG2 ILE A 504 -6.079 -6.087 3.362 1.00 52.21 C ATOM 42 CD1 ILE A 504 -5.448 -3.461 0.642 1.00 75.42 C ATOM 0 H ILE A 504 -3.378 -5.799 0.229 1.00 54.42 H new ATOM 0 HA ILE A 504 -3.337 -5.321 3.123 1.00 5.41 H new ATOM 0 HB ILE A 504 -5.665 -6.011 1.279 1.00 21.42 H new ATOM 0 HG12 ILE A 504 -6.659 -3.837 2.360 1.00 21.20 H new ATOM 0 HG13 ILE A 504 -4.988 -3.459 2.727 1.00 21.20 H new ATOM 0 HG21 ILE A 504 -7.137 -5.843 3.265 1.00 52.21 H new ATOM 0 HG22 ILE A 504 -5.957 -7.170 3.384 1.00 52.21 H new ATOM 0 HG23 ILE A 504 -5.691 -5.659 4.287 1.00 52.21 H new ATOM 0 HD11 ILE A 504 -5.687 -2.398 0.637 1.00 75.42 H new ATOM 0 HD12 ILE A 504 -4.414 -3.602 0.327 1.00 75.42 H new ATOM 0 HD13 ILE A 504 -6.112 -3.985 -0.046 1.00 75.42 H new ATOM 54 N PHE A 505 -2.867 -7.757 3.450 1.00 64.55 N ATOM 55 CA PHE A 505 -2.848 -9.161 3.851 1.00 0.33 C ATOM 56 C PHE A 505 -3.934 -9.345 4.861 1.00 3.23 C ATOM 57 O PHE A 505 -4.047 -8.538 5.790 1.00 11.11 O ATOM 58 CB PHE A 505 -1.516 -9.598 4.484 1.00 33.54 C ATOM 59 CG PHE A 505 -0.490 -10.129 3.529 1.00 4.12 C ATOM 60 CD1 PHE A 505 -0.679 -11.355 2.920 1.00 13.31 C ATOM 61 CD2 PHE A 505 0.664 -9.427 3.260 1.00 43.13 C ATOM 62 CE1 PHE A 505 0.259 -11.866 2.057 1.00 42.32 C ATOM 63 CE2 PHE A 505 1.614 -9.937 2.398 1.00 41.22 C ATOM 64 CZ PHE A 505 1.409 -11.158 1.796 1.00 75.20 C ATOM 0 H PHE A 505 -2.276 -7.144 4.011 1.00 64.55 H new ATOM 0 HA PHE A 505 -2.987 -9.770 2.958 1.00 0.33 H new ATOM 0 HB2 PHE A 505 -1.088 -8.746 5.012 1.00 33.54 H new ATOM 0 HB3 PHE A 505 -1.723 -10.365 5.231 1.00 33.54 H new ATOM 0 HD1 PHE A 505 -1.577 -11.919 3.126 1.00 13.31 H new ATOM 0 HD2 PHE A 505 0.827 -8.468 3.728 1.00 43.13 H new ATOM 0 HE1 PHE A 505 0.094 -12.823 1.584 1.00 42.32 H new ATOM 0 HE2 PHE A 505 2.516 -9.379 2.196 1.00 41.22 H new ATOM 0 HZ PHE A 505 2.150 -11.559 1.120 1.00 75.20 H new ATOM 74 N THR A 506 -4.746 -10.346 4.689 1.00 62.34 N ATOM 75 CA THR A 506 -5.809 -10.598 5.613 1.00 2.02 C ATOM 76 C THR A 506 -6.412 -11.962 5.329 1.00 61.13 C ATOM 77 O THR A 506 -6.065 -12.607 4.341 1.00 53.34 O ATOM 78 CB THR A 506 -6.907 -9.473 5.550 1.00 55.20 C ATOM 79 OG1 THR A 506 -7.886 -9.656 6.593 1.00 25.14 O ATOM 80 CG2 THR A 506 -7.612 -9.460 4.191 1.00 61.30 C ATOM 0 H THR A 506 -4.691 -11.004 3.912 1.00 62.34 H new ATOM 0 HA THR A 506 -5.401 -10.590 6.624 1.00 2.02 H new ATOM 0 HB THR A 506 -6.401 -8.518 5.692 1.00 55.20 H new ATOM 0 HG1 THR A 506 -7.716 -9.018 7.317 1.00 25.14 H new ATOM 0 HG21 THR A 506 -8.365 -8.672 4.179 1.00 61.30 H new ATOM 0 HG22 THR A 506 -6.881 -9.276 3.404 1.00 61.30 H new ATOM 0 HG23 THR A 506 -8.093 -10.423 4.021 1.00 61.30 H new ATOM 88 N PHE A 507 -7.272 -12.398 6.199 1.00 50.52 N ATOM 89 CA PHE A 507 -7.965 -13.637 6.033 1.00 63.04 C ATOM 90 C PHE A 507 -9.085 -13.479 5.026 1.00 55.55 C ATOM 91 O PHE A 507 -9.659 -12.394 4.896 1.00 30.41 O ATOM 92 CB PHE A 507 -8.516 -14.111 7.366 1.00 30.22 C ATOM 93 CG PHE A 507 -7.486 -14.686 8.275 1.00 33.44 C ATOM 94 CD1 PHE A 507 -7.123 -16.002 8.143 1.00 3.32 C ATOM 95 CD2 PHE A 507 -6.908 -13.930 9.275 1.00 44.54 C ATOM 96 CE1 PHE A 507 -6.207 -16.573 8.982 1.00 11.41 C ATOM 97 CE2 PHE A 507 -5.977 -14.489 10.124 1.00 62.45 C ATOM 98 CZ PHE A 507 -5.628 -15.815 9.980 1.00 72.41 C ATOM 0 H PHE A 507 -7.514 -11.897 7.054 1.00 50.52 H new ATOM 0 HA PHE A 507 -7.265 -14.384 5.660 1.00 63.04 H new ATOM 0 HB2 PHE A 507 -9.001 -13.273 7.866 1.00 30.22 H new ATOM 0 HB3 PHE A 507 -9.285 -14.861 7.184 1.00 30.22 H new ATOM 0 HD1 PHE A 507 -7.569 -16.599 7.361 1.00 3.32 H new ATOM 0 HD2 PHE A 507 -7.187 -12.893 9.393 1.00 44.54 H new ATOM 0 HE1 PHE A 507 -5.938 -17.612 8.865 1.00 11.41 H new ATOM 0 HE2 PHE A 507 -5.522 -13.890 10.899 1.00 62.45 H new ATOM 0 HZ PHE A 507 -4.904 -16.260 10.646 1.00 72.41 H new ATOM 108 N GLU A 508 -9.378 -14.549 4.308 1.00 4.11 N ATOM 109 CA GLU A 508 -10.424 -14.549 3.305 1.00 61.45 C ATOM 110 C GLU A 508 -11.793 -14.349 3.970 1.00 1.31 C ATOM 111 O GLU A 508 -12.695 -13.717 3.409 1.00 42.33 O ATOM 112 CB GLU A 508 -10.378 -15.865 2.541 1.00 11.41 C ATOM 113 CG GLU A 508 -11.237 -15.902 1.310 1.00 24.52 C ATOM 114 CD GLU A 508 -11.180 -17.236 0.607 1.00 42.44 C ATOM 115 OE1 GLU A 508 -11.862 -18.187 1.055 1.00 23.01 O ATOM 116 OE2 GLU A 508 -10.439 -17.366 -0.393 1.00 75.44 O ATOM 0 H GLU A 508 -8.896 -15.443 4.405 1.00 4.11 H new ATOM 0 HA GLU A 508 -10.267 -13.727 2.607 1.00 61.45 H new ATOM 0 HB2 GLU A 508 -9.346 -16.068 2.255 1.00 11.41 H new ATOM 0 HB3 GLU A 508 -10.688 -16.669 3.209 1.00 11.41 H new ATOM 0 HG2 GLU A 508 -12.269 -15.683 1.584 1.00 24.52 H new ATOM 0 HG3 GLU A 508 -10.916 -15.119 0.623 1.00 24.52 H new ATOM 123 N GLU A 509 -11.911 -14.849 5.170 1.00 12.50 N ATOM 124 CA GLU A 509 -13.102 -14.729 5.959 1.00 64.21 C ATOM 125 C GLU A 509 -12.679 -14.362 7.370 1.00 63.34 C ATOM 126 O GLU A 509 -11.636 -14.808 7.819 1.00 42.32 O ATOM 127 CB GLU A 509 -13.913 -16.045 5.910 1.00 11.41 C ATOM 128 CG GLU A 509 -13.128 -17.287 6.316 1.00 51.12 C ATOM 129 CD GLU A 509 -13.780 -18.584 5.872 1.00 61.22 C ATOM 130 OE1 GLU A 509 -14.650 -19.129 6.588 1.00 23.02 O ATOM 131 OE2 GLU A 509 -13.414 -19.100 4.799 1.00 21.33 O ATOM 0 H GLU A 509 -11.163 -15.363 5.635 1.00 12.50 H new ATOM 0 HA GLU A 509 -13.759 -13.951 5.569 1.00 64.21 H new ATOM 0 HB2 GLU A 509 -14.779 -15.948 6.565 1.00 11.41 H new ATOM 0 HB3 GLU A 509 -14.293 -16.185 4.898 1.00 11.41 H new ATOM 0 HG2 GLU A 509 -12.126 -17.229 5.892 1.00 51.12 H new ATOM 0 HG3 GLU A 509 -13.015 -17.298 7.400 1.00 51.12 H new ATOM 138 N PRO A 510 -13.423 -13.488 8.050 1.00 11.31 N ATOM 139 CA PRO A 510 -13.088 -13.063 9.413 1.00 1.41 C ATOM 140 C PRO A 510 -13.397 -14.143 10.452 1.00 33.44 C ATOM 141 O PRO A 510 -12.744 -14.224 11.509 1.00 64.40 O ATOM 142 CB PRO A 510 -13.982 -11.838 9.632 1.00 42.11 C ATOM 143 CG PRO A 510 -15.147 -12.051 8.723 1.00 14.32 C ATOM 144 CD PRO A 510 -14.618 -12.806 7.533 1.00 71.01 C ATOM 0 HA PRO A 510 -12.024 -12.857 9.526 1.00 1.41 H new ATOM 0 HB2 PRO A 510 -14.300 -11.761 10.672 1.00 42.11 H new ATOM 0 HB3 PRO A 510 -13.455 -10.915 9.390 1.00 42.11 H new ATOM 0 HG2 PRO A 510 -15.934 -12.615 9.224 1.00 14.32 H new ATOM 0 HG3 PRO A 510 -15.582 -11.099 8.418 1.00 14.32 H new ATOM 0 HD2 PRO A 510 -15.351 -13.518 7.153 1.00 71.01 H new ATOM 0 HD3 PRO A 510 -14.370 -12.134 6.711 1.00 71.01 H new ATOM 152 N VAL A 511 -14.374 -14.975 10.152 1.00 73.41 N ATOM 153 CA VAL A 511 -14.803 -16.029 11.045 1.00 64.50 C ATOM 154 C VAL A 511 -15.012 -17.260 10.205 1.00 21.15 C ATOM 155 O VAL A 511 -15.498 -17.158 9.082 1.00 5.43 O ATOM 156 CB VAL A 511 -16.152 -15.678 11.776 1.00 10.53 C ATOM 157 CG1 VAL A 511 -16.554 -16.771 12.754 1.00 1.24 C ATOM 158 CG2 VAL A 511 -16.065 -14.350 12.502 1.00 55.43 C ATOM 0 H VAL A 511 -14.895 -14.937 9.276 1.00 73.41 H new ATOM 0 HA VAL A 511 -14.045 -16.174 11.815 1.00 64.50 H new ATOM 0 HB VAL A 511 -16.916 -15.601 11.003 1.00 10.53 H new ATOM 0 HG11 VAL A 511 -17.490 -16.497 13.242 1.00 1.24 H new ATOM 0 HG12 VAL A 511 -16.687 -17.710 12.216 1.00 1.24 H new ATOM 0 HG13 VAL A 511 -15.774 -16.891 13.506 1.00 1.24 H new ATOM 0 HG21 VAL A 511 -17.015 -14.142 12.994 1.00 55.43 H new ATOM 0 HG22 VAL A 511 -15.272 -14.394 13.248 1.00 55.43 H new ATOM 0 HG23 VAL A 511 -15.846 -13.558 11.786 1.00 55.43 H new ATOM 168 N THR A 512 -14.621 -18.390 10.697 1.00 63.43 N ATOM 169 CA THR A 512 -14.813 -19.588 9.971 1.00 61.22 C ATOM 170 C THR A 512 -15.395 -20.660 10.902 1.00 52.42 C ATOM 171 O THR A 512 -15.059 -20.718 12.096 1.00 73.23 O ATOM 172 CB THR A 512 -13.478 -20.053 9.298 1.00 60.30 C ATOM 173 OG1 THR A 512 -13.746 -20.999 8.271 1.00 4.42 O ATOM 174 CG2 THR A 512 -12.501 -20.650 10.299 1.00 42.43 C ATOM 0 H THR A 512 -14.166 -18.502 11.603 1.00 63.43 H new ATOM 0 HA THR A 512 -15.525 -19.415 9.164 1.00 61.22 H new ATOM 0 HB THR A 512 -13.012 -19.165 8.871 1.00 60.30 H new ATOM 0 HG1 THR A 512 -14.186 -20.550 7.519 1.00 4.42 H new ATOM 0 HG21 THR A 512 -11.592 -20.957 9.782 1.00 42.43 H new ATOM 0 HG22 THR A 512 -12.254 -19.905 11.055 1.00 42.43 H new ATOM 0 HG23 THR A 512 -12.956 -21.517 10.778 1.00 42.43 H new ATOM 182 N HIS A 513 -16.315 -21.439 10.395 1.00 21.04 N ATOM 183 CA HIS A 513 -16.876 -22.523 11.161 1.00 74.00 C ATOM 184 C HIS A 513 -16.325 -23.819 10.614 1.00 61.10 C ATOM 185 O HIS A 513 -16.313 -24.034 9.395 1.00 5.22 O ATOM 186 CB HIS A 513 -18.437 -22.517 11.160 1.00 13.23 C ATOM 187 CG HIS A 513 -19.114 -22.781 9.834 1.00 71.43 C ATOM 188 ND1 HIS A 513 -19.913 -23.882 9.583 1.00 21.41 N ATOM 189 CD2 HIS A 513 -19.125 -22.047 8.697 1.00 11.25 C ATOM 190 CE1 HIS A 513 -20.367 -23.787 8.337 1.00 61.43 C ATOM 191 NE2 HIS A 513 -19.919 -22.685 7.747 1.00 33.03 N ATOM 0 H HIS A 513 -16.693 -21.343 9.452 1.00 21.04 H new ATOM 0 HA HIS A 513 -16.589 -22.404 12.206 1.00 74.00 H new ATOM 0 HB2 HIS A 513 -18.781 -23.266 11.873 1.00 13.23 H new ATOM 0 HB3 HIS A 513 -18.774 -21.548 11.528 1.00 13.23 H new ATOM 0 HD2 HIS A 513 -18.601 -21.114 8.550 1.00 11.25 H new ATOM 0 HE1 HIS A 513 -21.015 -24.511 7.866 1.00 61.43 H new ATOM 0 HE2 HIS A 513 -20.115 -22.371 6.797 1.00 33.03 H new ATOM 199 N VAL A 514 -15.827 -24.645 11.472 1.00 31.21 N ATOM 200 CA VAL A 514 -15.250 -25.890 11.057 1.00 53.13 C ATOM 201 C VAL A 514 -16.009 -27.024 11.703 1.00 13.14 C ATOM 202 O VAL A 514 -16.591 -26.844 12.777 1.00 31.10 O ATOM 203 CB VAL A 514 -13.723 -25.975 11.386 1.00 33.54 C ATOM 204 CG1 VAL A 514 -12.975 -24.816 10.730 1.00 73.12 C ATOM 205 CG2 VAL A 514 -13.467 -25.987 12.889 1.00 13.35 C ATOM 0 H VAL A 514 -15.806 -24.482 12.479 1.00 31.21 H new ATOM 0 HA VAL A 514 -15.333 -25.964 9.973 1.00 53.13 H new ATOM 0 HB VAL A 514 -13.351 -26.916 10.982 1.00 33.54 H new ATOM 0 HG11 VAL A 514 -11.913 -24.887 10.967 1.00 73.12 H new ATOM 0 HG12 VAL A 514 -13.109 -24.862 9.649 1.00 73.12 H new ATOM 0 HG13 VAL A 514 -13.368 -23.871 11.105 1.00 73.12 H new ATOM 0 HG21 VAL A 514 -12.395 -26.047 13.075 1.00 13.35 H new ATOM 0 HG22 VAL A 514 -13.862 -25.073 13.333 1.00 13.35 H new ATOM 0 HG23 VAL A 514 -13.961 -26.850 13.335 1.00 13.35 H new ATOM 215 N SER A 515 -16.049 -28.153 11.042 1.00 24.11 N ATOM 216 CA SER A 515 -16.759 -29.293 11.540 1.00 13.14 C ATOM 217 C SER A 515 -15.912 -30.062 12.541 1.00 35.12 C ATOM 218 O SER A 515 -14.705 -29.872 12.646 1.00 61.45 O ATOM 219 CB SER A 515 -17.133 -30.227 10.384 1.00 54.41 C ATOM 220 OG SER A 515 -18.087 -31.222 10.791 1.00 71.13 O ATOM 0 H SER A 515 -15.589 -28.303 10.144 1.00 24.11 H new ATOM 0 HA SER A 515 -17.662 -28.936 12.035 1.00 13.14 H new ATOM 0 HB2 SER A 515 -17.546 -29.642 9.562 1.00 54.41 H new ATOM 0 HB3 SER A 515 -16.235 -30.717 10.007 1.00 54.41 H new ATOM 0 HG SER A 515 -18.304 -31.799 10.029 1.00 71.13 H new ATOM 226 N GLU A 516 -16.567 -30.956 13.226 1.00 62.11 N ATOM 227 CA GLU A 516 -15.956 -31.851 14.165 1.00 62.22 C ATOM 228 C GLU A 516 -15.562 -33.130 13.363 1.00 22.21 C ATOM 229 O GLU A 516 -14.848 -33.997 13.818 1.00 70.25 O ATOM 230 CB GLU A 516 -17.019 -32.129 15.270 1.00 3.24 C ATOM 231 CG GLU A 516 -16.544 -32.778 16.580 1.00 63.34 C ATOM 232 CD GLU A 516 -16.144 -34.226 16.458 1.00 2.31 C ATOM 233 OE1 GLU A 516 -17.013 -35.065 16.109 1.00 73.43 O ATOM 234 OE2 GLU A 516 -14.966 -34.562 16.726 1.00 64.13 O ATOM 0 H GLU A 516 -17.575 -31.085 13.143 1.00 62.11 H new ATOM 0 HA GLU A 516 -15.060 -31.459 14.646 1.00 62.22 H new ATOM 0 HB2 GLU A 516 -17.496 -31.182 15.520 1.00 3.24 H new ATOM 0 HB3 GLU A 516 -17.789 -32.770 14.840 1.00 3.24 H new ATOM 0 HG2 GLU A 516 -15.695 -32.212 16.963 1.00 63.34 H new ATOM 0 HG3 GLU A 516 -17.341 -32.697 17.319 1.00 63.34 H new ATOM 241 N SER A 517 -16.016 -33.200 12.137 1.00 63.35 N ATOM 242 CA SER A 517 -15.741 -34.338 11.302 1.00 5.43 C ATOM 243 C SER A 517 -15.014 -33.908 10.008 1.00 4.23 C ATOM 244 O SER A 517 -15.037 -34.618 9.003 1.00 63.50 O ATOM 245 CB SER A 517 -17.072 -35.031 11.002 1.00 11.13 C ATOM 246 OG SER A 517 -17.746 -35.340 12.228 1.00 31.33 O ATOM 0 H SER A 517 -16.582 -32.476 11.694 1.00 63.35 H new ATOM 0 HA SER A 517 -15.075 -35.034 11.813 1.00 5.43 H new ATOM 0 HB2 SER A 517 -17.697 -34.386 10.385 1.00 11.13 H new ATOM 0 HB3 SER A 517 -16.897 -35.944 10.433 1.00 11.13 H new ATOM 0 HG SER A 517 -18.598 -35.782 12.030 1.00 31.33 H new ATOM 252 N ILE A 518 -14.320 -32.770 10.063 1.00 43.31 N ATOM 253 CA ILE A 518 -13.638 -32.244 8.881 1.00 42.34 C ATOM 254 C ILE A 518 -12.207 -32.803 8.758 1.00 70.32 C ATOM 255 O ILE A 518 -11.697 -33.005 7.654 1.00 25.50 O ATOM 256 CB ILE A 518 -13.594 -30.680 8.878 1.00 64.20 C ATOM 257 CG1 ILE A 518 -12.934 -30.149 7.596 1.00 34.43 C ATOM 258 CG2 ILE A 518 -12.886 -30.139 10.113 1.00 54.14 C ATOM 259 CD1 ILE A 518 -12.795 -28.649 7.550 1.00 51.43 C ATOM 0 H ILE A 518 -14.216 -32.201 10.903 1.00 43.31 H new ATOM 0 HA ILE A 518 -14.219 -32.573 8.020 1.00 42.34 H new ATOM 0 HB ILE A 518 -14.624 -30.325 8.903 1.00 64.20 H new ATOM 0 HG12 ILE A 518 -11.946 -30.598 7.497 1.00 34.43 H new ATOM 0 HG13 ILE A 518 -13.520 -30.475 6.737 1.00 34.43 H new ATOM 0 HG21 ILE A 518 -12.874 -29.050 10.078 1.00 54.14 H new ATOM 0 HG22 ILE A 518 -13.414 -30.467 11.008 1.00 54.14 H new ATOM 0 HG23 ILE A 518 -11.862 -30.512 10.138 1.00 54.14 H new ATOM 0 HD11 ILE A 518 -12.320 -28.356 6.614 1.00 51.43 H new ATOM 0 HD12 ILE A 518 -13.781 -28.190 7.616 1.00 51.43 H new ATOM 0 HD13 ILE A 518 -12.183 -28.314 8.387 1.00 51.43 H new ATOM 271 N GLY A 519 -11.573 -33.050 9.877 1.00 63.05 N ATOM 272 CA GLY A 519 -10.215 -33.504 9.854 1.00 63.41 C ATOM 273 C GLY A 519 -9.268 -32.341 9.869 1.00 43.54 C ATOM 274 O GLY A 519 -8.781 -31.934 10.928 1.00 1.33 O ATOM 0 H GLY A 519 -11.977 -32.944 10.808 1.00 63.05 H new ATOM 0 HA2 GLY A 519 -10.026 -34.145 10.715 1.00 63.41 H new ATOM 0 HA3 GLY A 519 -10.043 -34.108 8.963 1.00 63.41 H new ATOM 278 N ILE A 520 -9.080 -31.752 8.724 1.00 72.13 N ATOM 279 CA ILE A 520 -8.138 -30.670 8.559 1.00 10.03 C ATOM 280 C ILE A 520 -8.867 -29.484 7.979 1.00 11.45 C ATOM 281 O ILE A 520 -9.501 -29.579 6.917 1.00 5.31 O ATOM 282 CB ILE A 520 -6.980 -31.053 7.591 1.00 20.04 C ATOM 283 CG1 ILE A 520 -6.186 -32.284 8.074 1.00 34.34 C ATOM 284 CG2 ILE A 520 -6.041 -29.868 7.343 1.00 11.14 C ATOM 285 CD1 ILE A 520 -5.424 -32.082 9.367 1.00 11.45 C ATOM 0 H ILE A 520 -9.576 -32.006 7.870 1.00 72.13 H new ATOM 0 HA ILE A 520 -7.709 -30.442 9.535 1.00 10.03 H new ATOM 0 HB ILE A 520 -7.450 -31.324 6.645 1.00 20.04 H new ATOM 0 HG12 ILE A 520 -6.877 -33.117 8.203 1.00 34.34 H new ATOM 0 HG13 ILE A 520 -5.481 -32.572 7.295 1.00 34.34 H new ATOM 0 HG21 ILE A 520 -5.245 -30.171 6.663 1.00 11.14 H new ATOM 0 HG22 ILE A 520 -6.603 -29.045 6.900 1.00 11.14 H new ATOM 0 HG23 ILE A 520 -5.607 -29.544 8.289 1.00 11.14 H new ATOM 0 HD11 ILE A 520 -4.897 -33.000 9.626 1.00 11.45 H new ATOM 0 HD12 ILE A 520 -4.704 -31.274 9.242 1.00 11.45 H new ATOM 0 HD13 ILE A 520 -6.122 -31.826 10.164 1.00 11.45 H new ATOM 297 N MET A 521 -8.801 -28.388 8.647 1.00 11.43 N ATOM 298 CA MET A 521 -9.425 -27.212 8.141 1.00 32.24 C ATOM 299 C MET A 521 -8.364 -26.325 7.529 1.00 42.41 C ATOM 300 O MET A 521 -7.205 -26.374 7.948 1.00 12.41 O ATOM 301 CB MET A 521 -10.248 -26.506 9.236 1.00 63.54 C ATOM 302 CG MET A 521 -9.476 -25.756 10.312 1.00 10.32 C ATOM 303 SD MET A 521 -8.958 -24.123 9.761 1.00 20.34 S ATOM 304 CE MET A 521 -8.439 -23.397 11.296 1.00 12.20 C ATOM 0 H MET A 521 -8.324 -28.278 9.542 1.00 11.43 H new ATOM 0 HA MET A 521 -10.140 -27.471 7.360 1.00 32.24 H new ATOM 0 HB2 MET A 521 -10.922 -25.800 8.750 1.00 63.54 H new ATOM 0 HB3 MET A 521 -10.870 -27.255 9.726 1.00 63.54 H new ATOM 0 HG2 MET A 521 -10.098 -25.657 11.202 1.00 10.32 H new ATOM 0 HG3 MET A 521 -8.599 -26.336 10.599 1.00 10.32 H new ATOM 0 HE1 MET A 521 -9.071 -22.539 11.524 1.00 12.20 H new ATOM 0 HE2 MET A 521 -8.525 -24.134 12.095 1.00 12.20 H new ATOM 0 HE3 MET A 521 -7.402 -23.072 11.213 1.00 12.20 H new ATOM 314 N GLU A 522 -8.745 -25.576 6.527 1.00 72.20 N ATOM 315 CA GLU A 522 -7.873 -24.668 5.837 1.00 34.54 C ATOM 316 C GLU A 522 -8.540 -23.345 5.661 1.00 54.51 C ATOM 317 O GLU A 522 -9.697 -23.266 5.224 1.00 44.12 O ATOM 318 CB GLU A 522 -7.446 -25.196 4.477 1.00 75.34 C ATOM 319 CG GLU A 522 -6.318 -26.189 4.514 1.00 61.45 C ATOM 320 CD GLU A 522 -5.982 -26.717 3.153 1.00 2.31 C ATOM 321 OE1 GLU A 522 -5.142 -26.117 2.456 1.00 31.14 O ATOM 322 OE2 GLU A 522 -6.541 -27.739 2.761 1.00 60.43 O ATOM 0 H GLU A 522 -9.697 -25.583 6.160 1.00 72.20 H new ATOM 0 HA GLU A 522 -6.979 -24.560 6.452 1.00 34.54 H new ATOM 0 HB2 GLU A 522 -8.306 -25.662 3.997 1.00 75.34 H new ATOM 0 HB3 GLU A 522 -7.150 -24.353 3.852 1.00 75.34 H new ATOM 0 HG2 GLU A 522 -5.436 -25.717 4.947 1.00 61.45 H new ATOM 0 HG3 GLU A 522 -6.588 -27.019 5.167 1.00 61.45 H new ATOM 329 N VAL A 523 -7.840 -22.330 6.025 1.00 14.20 N ATOM 330 CA VAL A 523 -8.312 -20.987 5.887 1.00 75.53 C ATOM 331 C VAL A 523 -7.443 -20.282 4.875 1.00 2.11 C ATOM 332 O VAL A 523 -6.213 -20.299 4.994 1.00 31.04 O ATOM 333 CB VAL A 523 -8.239 -20.241 7.224 1.00 51.21 C ATOM 334 CG1 VAL A 523 -8.859 -18.861 7.109 1.00 31.13 C ATOM 335 CG2 VAL A 523 -8.927 -21.047 8.300 1.00 53.45 C ATOM 0 H VAL A 523 -6.908 -22.404 6.434 1.00 14.20 H new ATOM 0 HA VAL A 523 -9.352 -21.003 5.562 1.00 75.53 H new ATOM 0 HB VAL A 523 -7.191 -20.114 7.495 1.00 51.21 H new ATOM 0 HG11 VAL A 523 -8.795 -18.352 8.071 1.00 31.13 H new ATOM 0 HG12 VAL A 523 -8.323 -18.283 6.356 1.00 31.13 H new ATOM 0 HG13 VAL A 523 -9.905 -18.955 6.818 1.00 31.13 H new ATOM 0 HG21 VAL A 523 -8.871 -20.511 9.248 1.00 53.45 H new ATOM 0 HG22 VAL A 523 -9.972 -21.198 8.029 1.00 53.45 H new ATOM 0 HG23 VAL A 523 -8.435 -22.014 8.401 1.00 53.45 H new ATOM 345 N LYS A 524 -8.073 -19.712 3.886 1.00 45.12 N ATOM 346 CA LYS A 524 -7.409 -19.022 2.807 1.00 42.41 C ATOM 347 C LYS A 524 -6.962 -17.643 3.266 1.00 5.12 C ATOM 348 O LYS A 524 -7.732 -16.900 3.889 1.00 3.12 O ATOM 349 CB LYS A 524 -8.394 -18.900 1.654 1.00 10.33 C ATOM 350 CG LYS A 524 -8.870 -20.236 1.145 1.00 10.11 C ATOM 351 CD LYS A 524 -7.916 -20.784 0.136 1.00 0.43 C ATOM 352 CE LYS A 524 -8.381 -20.470 -1.269 1.00 2.33 C ATOM 353 NZ LYS A 524 -8.665 -19.027 -1.545 1.00 23.21 N ATOM 0 H LYS A 524 -9.090 -19.713 3.803 1.00 45.12 H new ATOM 0 HA LYS A 524 -6.525 -19.575 2.490 1.00 42.41 H new ATOM 0 HB2 LYS A 524 -9.254 -18.313 1.978 1.00 10.33 H new ATOM 0 HB3 LYS A 524 -7.924 -18.352 0.837 1.00 10.33 H new ATOM 0 HG2 LYS A 524 -8.969 -20.934 1.977 1.00 10.11 H new ATOM 0 HG3 LYS A 524 -9.859 -20.130 0.699 1.00 10.11 H new ATOM 0 HD2 LYS A 524 -6.925 -20.361 0.299 1.00 0.43 H new ATOM 0 HD3 LYS A 524 -7.827 -21.863 0.262 1.00 0.43 H new ATOM 0 HE2 LYS A 524 -7.620 -20.813 -1.970 1.00 2.33 H new ATOM 0 HE3 LYS A 524 -9.284 -21.045 -1.471 1.00 2.33 H new ATOM 0 HZ1 LYS A 524 -9.209 -18.943 -2.428 1.00 23.21 H new ATOM 0 HZ2 LYS A 524 -9.216 -18.625 -0.760 1.00 23.21 H new ATOM 0 HZ3 LYS A 524 -7.768 -18.509 -1.640 1.00 23.21 H new ATOM 367 N VAL A 525 -5.732 -17.318 3.004 1.00 63.14 N ATOM 368 CA VAL A 525 -5.198 -16.018 3.367 1.00 75.33 C ATOM 369 C VAL A 525 -4.954 -15.210 2.111 1.00 11.04 C ATOM 370 O VAL A 525 -4.253 -15.654 1.198 1.00 3.13 O ATOM 371 CB VAL A 525 -3.895 -16.123 4.198 1.00 24.41 C ATOM 372 CG1 VAL A 525 -3.409 -14.741 4.636 1.00 62.25 C ATOM 373 CG2 VAL A 525 -4.113 -16.997 5.409 1.00 72.32 C ATOM 0 H VAL A 525 -5.066 -17.933 2.537 1.00 63.14 H new ATOM 0 HA VAL A 525 -5.934 -15.520 3.998 1.00 75.33 H new ATOM 0 HB VAL A 525 -3.130 -16.573 3.565 1.00 24.41 H new ATOM 0 HG11 VAL A 525 -2.493 -14.845 5.218 1.00 62.25 H new ATOM 0 HG12 VAL A 525 -3.213 -14.129 3.756 1.00 62.25 H new ATOM 0 HG13 VAL A 525 -4.174 -14.263 5.247 1.00 62.25 H new ATOM 0 HG21 VAL A 525 -3.188 -17.061 5.983 1.00 72.32 H new ATOM 0 HG22 VAL A 525 -4.897 -16.567 6.032 1.00 72.32 H new ATOM 0 HG23 VAL A 525 -4.411 -17.995 5.088 1.00 72.32 H new ATOM 383 N LEU A 526 -5.526 -14.044 2.080 1.00 13.45 N ATOM 384 CA LEU A 526 -5.496 -13.179 0.934 1.00 61.42 C ATOM 385 C LEU A 526 -4.162 -12.447 0.809 1.00 12.10 C ATOM 386 O LEU A 526 -3.664 -11.844 1.774 1.00 73.14 O ATOM 387 CB LEU A 526 -6.661 -12.186 1.015 1.00 30.12 C ATOM 388 CG LEU A 526 -8.076 -12.794 0.974 1.00 75.24 C ATOM 389 CD1 LEU A 526 -9.112 -11.726 1.233 1.00 34.35 C ATOM 390 CD2 LEU A 526 -8.336 -13.450 -0.374 1.00 54.33 C ATOM 0 H LEU A 526 -6.040 -13.656 2.871 1.00 13.45 H new ATOM 0 HA LEU A 526 -5.604 -13.791 0.038 1.00 61.42 H new ATOM 0 HB2 LEU A 526 -6.560 -11.614 1.937 1.00 30.12 H new ATOM 0 HB3 LEU A 526 -6.567 -11.480 0.190 1.00 30.12 H new ATOM 0 HG LEU A 526 -8.146 -13.553 1.753 1.00 75.24 H new ATOM 0 HD11 LEU A 526 -10.107 -12.169 1.201 1.00 34.35 H new ATOM 0 HD12 LEU A 526 -8.942 -11.285 2.215 1.00 34.35 H new ATOM 0 HD13 LEU A 526 -9.035 -10.952 0.470 1.00 34.35 H new ATOM 0 HD21 LEU A 526 -9.340 -13.874 -0.385 1.00 54.33 H new ATOM 0 HD22 LEU A 526 -8.248 -12.704 -1.164 1.00 54.33 H new ATOM 0 HD23 LEU A 526 -7.606 -14.242 -0.540 1.00 54.33 H new ATOM 402 N ARG A 527 -3.595 -12.531 -0.382 1.00 22.34 N ATOM 403 CA ARG A 527 -2.345 -11.879 -0.747 1.00 41.11 C ATOM 404 C ARG A 527 -2.612 -10.401 -0.981 1.00 52.23 C ATOM 405 O ARG A 527 -3.736 -10.018 -1.325 1.00 22.33 O ATOM 406 CB ARG A 527 -1.800 -12.537 -2.049 1.00 2.11 C ATOM 407 CG ARG A 527 -0.477 -11.989 -2.648 1.00 35.24 C ATOM 408 CD ARG A 527 0.710 -12.110 -1.691 1.00 12.05 C ATOM 409 NE ARG A 527 2.024 -11.868 -2.367 1.00 11.14 N ATOM 410 CZ ARG A 527 3.051 -11.092 -1.904 1.00 12.13 C ATOM 411 NH1 ARG A 527 2.860 -10.217 -0.933 1.00 44.15 N ATOM 412 NH2 ARG A 527 4.237 -11.142 -2.507 1.00 41.32 N ATOM 0 H ARG A 527 -4.002 -13.070 -1.146 1.00 22.34 H new ATOM 0 HA ARG A 527 -1.609 -11.989 0.049 1.00 41.11 H new ATOM 0 HB2 ARG A 527 -1.661 -13.600 -1.852 1.00 2.11 H new ATOM 0 HB3 ARG A 527 -2.572 -12.452 -2.814 1.00 2.11 H new ATOM 0 HG2 ARG A 527 -0.251 -12.528 -3.568 1.00 35.24 H new ATOM 0 HG3 ARG A 527 -0.613 -10.942 -2.918 1.00 35.24 H new ATOM 0 HD2 ARG A 527 0.589 -11.397 -0.876 1.00 12.05 H new ATOM 0 HD3 ARG A 527 0.713 -13.105 -1.246 1.00 12.05 H new ATOM 0 HE ARG A 527 2.168 -12.329 -3.265 1.00 11.14 H new ATOM 0 HH11 ARG A 527 1.935 -10.112 -0.516 1.00 44.15 H new ATOM 0 HH12 ARG A 527 3.637 -9.647 -0.600 1.00 44.15 H new ATOM 0 HH21 ARG A 527 4.376 -11.756 -3.309 1.00 41.32 H new ATOM 0 HH22 ARG A 527 5.007 -10.566 -2.167 1.00 41.32 H new ATOM 426 N THR A 528 -1.598 -9.595 -0.776 1.00 65.23 N ATOM 427 CA THR A 528 -1.661 -8.190 -1.010 1.00 55.04 C ATOM 428 C THR A 528 -2.004 -7.872 -2.462 1.00 62.12 C ATOM 429 O THR A 528 -1.627 -8.618 -3.382 1.00 43.20 O ATOM 430 CB THR A 528 -0.320 -7.550 -0.651 1.00 40.12 C ATOM 431 OG1 THR A 528 0.753 -8.381 -1.126 1.00 23.42 O ATOM 432 CG2 THR A 528 -0.188 -7.346 0.836 1.00 33.31 C ATOM 0 H THR A 528 -0.691 -9.914 -0.435 1.00 65.23 H new ATOM 0 HA THR A 528 -2.453 -7.783 -0.381 1.00 55.04 H new ATOM 0 HB THR A 528 -0.271 -6.572 -1.130 1.00 40.12 H new ATOM 0 HG1 THR A 528 1.216 -7.929 -1.862 1.00 23.42 H new ATOM 0 HG21 THR A 528 0.777 -6.889 1.056 1.00 33.31 H new ATOM 0 HG22 THR A 528 -0.987 -6.693 1.186 1.00 33.31 H new ATOM 0 HG23 THR A 528 -0.258 -8.308 1.343 1.00 33.31 H new ATOM 440 N SER A 529 -2.736 -6.787 -2.645 1.00 24.34 N ATOM 441 CA SER A 529 -3.123 -6.277 -3.938 1.00 73.34 C ATOM 442 C SER A 529 -1.871 -6.039 -4.818 1.00 73.22 C ATOM 443 O SER A 529 -1.930 -6.099 -6.045 1.00 74.35 O ATOM 444 CB SER A 529 -3.943 -4.984 -3.734 1.00 64.53 C ATOM 445 OG SER A 529 -4.464 -4.485 -4.955 1.00 33.55 O ATOM 0 H SER A 529 -3.086 -6.223 -1.870 1.00 24.34 H new ATOM 0 HA SER A 529 -3.745 -7.003 -4.462 1.00 73.34 H new ATOM 0 HB2 SER A 529 -4.763 -5.180 -3.044 1.00 64.53 H new ATOM 0 HB3 SER A 529 -3.312 -4.224 -3.272 1.00 64.53 H new ATOM 0 HG SER A 529 -4.977 -3.668 -4.782 1.00 33.55 H new ATOM 451 N GLY A 530 -0.758 -5.753 -4.180 1.00 10.42 N ATOM 452 CA GLY A 530 0.485 -5.674 -4.864 1.00 42.45 C ATOM 453 C GLY A 530 1.370 -6.806 -4.408 1.00 50.41 C ATOM 454 O GLY A 530 1.938 -6.761 -3.304 1.00 20.12 O ATOM 0 H GLY A 530 -0.703 -5.572 -3.178 1.00 10.42 H new ATOM 0 HA2 GLY A 530 0.326 -5.731 -5.941 1.00 42.45 H new ATOM 0 HA3 GLY A 530 0.965 -4.716 -4.663 1.00 42.45 H new ATOM 458 N ALA A 531 1.432 -7.855 -5.179 1.00 60.13 N ATOM 459 CA ALA A 531 2.280 -8.956 -4.824 1.00 4.23 C ATOM 460 C ALA A 531 3.662 -8.686 -5.341 1.00 61.04 C ATOM 461 O ALA A 531 3.932 -8.824 -6.535 1.00 61.01 O ATOM 462 CB ALA A 531 1.745 -10.274 -5.364 1.00 44.20 C ATOM 0 H ALA A 531 0.911 -7.970 -6.048 1.00 60.13 H new ATOM 0 HA ALA A 531 2.305 -9.049 -3.738 1.00 4.23 H new ATOM 0 HB1 ALA A 531 2.414 -11.084 -5.075 1.00 44.20 H new ATOM 0 HB2 ALA A 531 0.752 -10.459 -4.954 1.00 44.20 H new ATOM 0 HB3 ALA A 531 1.685 -10.224 -6.451 1.00 44.20 H new ATOM 468 N ARG A 532 4.520 -8.254 -4.462 1.00 3.24 N ATOM 469 CA ARG A 532 5.870 -7.930 -4.825 1.00 65.12 C ATOM 470 C ARG A 532 6.831 -8.782 -4.047 1.00 14.42 C ATOM 471 O ARG A 532 6.825 -8.756 -2.811 1.00 1.22 O ATOM 472 CB ARG A 532 6.155 -6.435 -4.573 1.00 53.21 C ATOM 473 CG ARG A 532 5.211 -5.496 -5.311 1.00 51.25 C ATOM 474 CD ARG A 532 5.326 -5.665 -6.815 1.00 4.01 C ATOM 475 NE ARG A 532 4.246 -4.982 -7.524 1.00 15.32 N ATOM 476 CZ ARG A 532 3.672 -5.425 -8.649 1.00 2.30 C ATOM 477 NH1 ARG A 532 4.144 -6.504 -9.262 1.00 73.43 N ATOM 478 NH2 ARG A 532 2.642 -4.776 -9.159 1.00 62.22 N ATOM 0 H ARG A 532 4.304 -8.116 -3.475 1.00 3.24 H new ATOM 0 HA ARG A 532 6.002 -8.130 -5.888 1.00 65.12 H new ATOM 0 HB2 ARG A 532 6.086 -6.237 -3.503 1.00 53.21 H new ATOM 0 HB3 ARG A 532 7.179 -6.215 -4.873 1.00 53.21 H new ATOM 0 HG2 ARG A 532 4.185 -5.690 -4.999 1.00 51.25 H new ATOM 0 HG3 ARG A 532 5.437 -4.464 -5.041 1.00 51.25 H new ATOM 0 HD2 ARG A 532 6.286 -5.274 -7.152 1.00 4.01 H new ATOM 0 HD3 ARG A 532 5.309 -6.726 -7.063 1.00 4.01 H new ATOM 0 HE ARG A 532 3.905 -4.104 -7.133 1.00 15.32 H new ATOM 0 HH11 ARG A 532 4.948 -6.999 -8.876 1.00 73.43 H new ATOM 0 HH12 ARG A 532 3.703 -6.838 -10.119 1.00 73.43 H new ATOM 0 HH21 ARG A 532 2.286 -3.940 -8.696 1.00 62.22 H new ATOM 0 HH22 ARG A 532 2.202 -5.111 -10.016 1.00 62.22 H new ATOM 492 N GLY A 533 7.573 -9.607 -4.764 1.00 5.31 N ATOM 493 CA GLY A 533 8.642 -10.381 -4.176 1.00 73.00 C ATOM 494 C GLY A 533 8.180 -11.469 -3.234 1.00 31.24 C ATOM 495 O GLY A 533 6.981 -11.787 -3.155 1.00 70.21 O ATOM 0 H GLY A 533 7.449 -9.756 -5.765 1.00 5.31 H new ATOM 0 HA2 GLY A 533 9.228 -10.834 -4.975 1.00 73.00 H new ATOM 0 HA3 GLY A 533 9.307 -9.707 -3.635 1.00 73.00 H new ATOM 499 N ASN A 534 9.125 -12.033 -2.535 1.00 64.32 N ATOM 500 CA ASN A 534 8.882 -13.086 -1.584 1.00 21.43 C ATOM 501 C ASN A 534 8.675 -12.492 -0.203 1.00 14.41 C ATOM 502 O ASN A 534 9.509 -11.726 0.299 1.00 54.02 O ATOM 503 CB ASN A 534 10.047 -14.079 -1.591 1.00 15.42 C ATOM 504 CG ASN A 534 9.884 -15.241 -0.619 1.00 72.55 C ATOM 505 OD1 ASN A 534 10.861 -15.769 -0.122 1.00 51.21 O ATOM 506 ND2 ASN A 534 8.675 -15.683 -0.386 1.00 51.34 N ATOM 0 H ASN A 534 10.107 -11.769 -2.611 1.00 64.32 H new ATOM 0 HA ASN A 534 7.978 -13.627 -1.863 1.00 21.43 H new ATOM 0 HB2 ASN A 534 10.164 -14.477 -2.599 1.00 15.42 H new ATOM 0 HB3 ASN A 534 10.966 -13.545 -1.350 1.00 15.42 H new ATOM 0 HD21 ASN A 534 8.535 -16.488 0.225 1.00 51.34 H new ATOM 0 HD22 ASN A 534 7.872 -15.223 -0.815 1.00 51.34 H new ATOM 513 N VAL A 535 7.554 -12.816 0.383 1.00 2.23 N ATOM 514 CA VAL A 535 7.142 -12.291 1.654 1.00 12.24 C ATOM 515 C VAL A 535 6.674 -13.442 2.529 1.00 23.41 C ATOM 516 O VAL A 535 5.927 -14.306 2.073 1.00 33.21 O ATOM 517 CB VAL A 535 5.969 -11.283 1.460 1.00 64.12 C ATOM 518 CG1 VAL A 535 5.504 -10.691 2.774 1.00 61.23 C ATOM 519 CG2 VAL A 535 6.363 -10.186 0.494 1.00 61.33 C ATOM 0 H VAL A 535 6.885 -13.470 -0.023 1.00 2.23 H new ATOM 0 HA VAL A 535 7.979 -11.775 2.124 1.00 12.24 H new ATOM 0 HB VAL A 535 5.131 -11.840 1.040 1.00 64.12 H new ATOM 0 HG11 VAL A 535 4.686 -9.995 2.590 1.00 61.23 H new ATOM 0 HG12 VAL A 535 5.160 -11.490 3.431 1.00 61.23 H new ATOM 0 HG13 VAL A 535 6.331 -10.162 3.248 1.00 61.23 H new ATOM 0 HG21 VAL A 535 5.531 -9.493 0.372 1.00 61.33 H new ATOM 0 HG22 VAL A 535 7.228 -9.650 0.885 1.00 61.33 H new ATOM 0 HG23 VAL A 535 6.614 -10.625 -0.472 1.00 61.33 H new ATOM 529 N ILE A 536 7.114 -13.466 3.749 1.00 4.30 N ATOM 530 CA ILE A 536 6.721 -14.505 4.660 1.00 52.13 C ATOM 531 C ILE A 536 5.751 -13.954 5.688 1.00 41.54 C ATOM 532 O ILE A 536 5.981 -12.871 6.257 1.00 65.23 O ATOM 533 CB ILE A 536 7.936 -15.150 5.379 1.00 71.42 C ATOM 534 CG1 ILE A 536 8.872 -15.853 4.378 1.00 43.14 C ATOM 535 CG2 ILE A 536 7.468 -16.121 6.448 1.00 42.41 C ATOM 536 CD1 ILE A 536 8.203 -16.935 3.556 1.00 2.42 C ATOM 0 H ILE A 536 7.751 -12.773 4.143 1.00 4.30 H new ATOM 0 HA ILE A 536 6.237 -15.284 4.071 1.00 52.13 H new ATOM 0 HB ILE A 536 8.503 -14.352 5.859 1.00 71.42 H new ATOM 0 HG12 ILE A 536 9.290 -15.106 3.703 1.00 43.14 H new ATOM 0 HG13 ILE A 536 9.707 -16.292 4.925 1.00 43.14 H new ATOM 0 HG21 ILE A 536 8.333 -16.564 6.941 1.00 42.41 H new ATOM 0 HG22 ILE A 536 6.864 -15.589 7.183 1.00 42.41 H new ATOM 0 HG23 ILE A 536 6.871 -16.908 5.988 1.00 42.41 H new ATOM 0 HD11 ILE A 536 8.931 -17.379 2.877 1.00 2.42 H new ATOM 0 HD12 ILE A 536 7.809 -17.705 4.220 1.00 2.42 H new ATOM 0 HD13 ILE A 536 7.387 -16.501 2.979 1.00 2.42 H new ATOM 548 N VAL A 537 4.665 -14.664 5.902 1.00 24.22 N ATOM 549 CA VAL A 537 3.685 -14.270 6.879 1.00 23.30 C ATOM 550 C VAL A 537 3.520 -15.381 7.922 1.00 1.42 C ATOM 551 O VAL A 537 3.040 -16.471 7.602 1.00 32.52 O ATOM 552 CB VAL A 537 2.314 -13.954 6.231 1.00 31.14 C ATOM 553 CG1 VAL A 537 1.325 -13.432 7.266 1.00 53.32 C ATOM 554 CG2 VAL A 537 2.484 -12.955 5.110 1.00 0.51 C ATOM 0 H VAL A 537 4.441 -15.526 5.404 1.00 24.22 H new ATOM 0 HA VAL A 537 4.043 -13.358 7.357 1.00 23.30 H new ATOM 0 HB VAL A 537 1.911 -14.879 5.819 1.00 31.14 H new ATOM 0 HG11 VAL A 537 0.372 -13.219 6.783 1.00 53.32 H new ATOM 0 HG12 VAL A 537 1.179 -14.184 8.041 1.00 53.32 H new ATOM 0 HG13 VAL A 537 1.716 -12.519 7.715 1.00 53.32 H new ATOM 0 HG21 VAL A 537 1.513 -12.741 4.663 1.00 0.51 H new ATOM 0 HG22 VAL A 537 2.912 -12.034 5.505 1.00 0.51 H new ATOM 0 HG23 VAL A 537 3.150 -13.368 4.352 1.00 0.51 H new ATOM 564 N PRO A 538 3.973 -15.145 9.154 1.00 44.43 N ATOM 565 CA PRO A 538 3.833 -16.115 10.244 1.00 74.44 C ATOM 566 C PRO A 538 2.407 -16.180 10.787 1.00 21.44 C ATOM 567 O PRO A 538 1.623 -15.249 10.612 1.00 33.14 O ATOM 568 CB PRO A 538 4.765 -15.575 11.315 1.00 40.44 C ATOM 569 CG PRO A 538 4.843 -14.110 11.063 1.00 64.01 C ATOM 570 CD PRO A 538 4.682 -13.922 9.585 1.00 4.35 C ATOM 0 HA PRO A 538 4.066 -17.128 9.915 1.00 74.44 H new ATOM 0 HB2 PRO A 538 4.380 -15.783 12.313 1.00 40.44 H new ATOM 0 HB3 PRO A 538 5.749 -16.039 11.250 1.00 40.44 H new ATOM 0 HG2 PRO A 538 4.062 -13.581 11.609 1.00 64.01 H new ATOM 0 HG3 PRO A 538 5.797 -13.708 11.403 1.00 64.01 H new ATOM 0 HD2 PRO A 538 4.108 -13.024 9.355 1.00 4.35 H new ATOM 0 HD3 PRO A 538 5.646 -13.821 9.086 1.00 4.35 H new ATOM 578 N TYR A 539 2.070 -17.271 11.429 1.00 31.04 N ATOM 579 CA TYR A 539 0.766 -17.425 12.031 1.00 70.53 C ATOM 580 C TYR A 539 0.843 -18.326 13.238 1.00 73.51 C ATOM 581 O TYR A 539 1.823 -19.079 13.408 1.00 0.10 O ATOM 582 CB TYR A 539 -0.263 -17.981 11.029 1.00 52.10 C ATOM 583 CG TYR A 539 0.012 -19.381 10.511 1.00 53.52 C ATOM 584 CD1 TYR A 539 -0.442 -20.510 11.190 1.00 33.20 C ATOM 585 CD2 TYR A 539 0.701 -19.568 9.334 1.00 42.11 C ATOM 586 CE1 TYR A 539 -0.206 -21.776 10.702 1.00 42.42 C ATOM 587 CE2 TYR A 539 0.933 -20.829 8.839 1.00 11.33 C ATOM 588 CZ TYR A 539 0.482 -21.926 9.522 1.00 33.42 C ATOM 589 OH TYR A 539 0.716 -23.185 9.015 1.00 61.01 O ATOM 0 H TYR A 539 2.687 -18.074 11.550 1.00 31.04 H new ATOM 0 HA TYR A 539 0.434 -16.434 12.342 1.00 70.53 H new ATOM 0 HB2 TYR A 539 -1.244 -17.975 11.503 1.00 52.10 H new ATOM 0 HB3 TYR A 539 -0.317 -17.303 10.178 1.00 52.10 H new ATOM 0 HD1 TYR A 539 -0.988 -20.390 12.114 1.00 33.20 H new ATOM 0 HD2 TYR A 539 1.066 -18.709 8.790 1.00 42.11 H new ATOM 0 HE1 TYR A 539 -0.558 -22.643 11.242 1.00 42.42 H new ATOM 0 HE2 TYR A 539 1.471 -20.954 7.911 1.00 11.33 H new ATOM 0 HH TYR A 539 1.214 -23.112 8.174 1.00 61.01 H new ATOM 599 N LYS A 540 -0.178 -18.264 14.057 1.00 42.24 N ATOM 600 CA LYS A 540 -0.286 -19.108 15.230 1.00 75.10 C ATOM 601 C LYS A 540 -1.741 -19.271 15.622 1.00 1.25 C ATOM 602 O LYS A 540 -2.572 -18.383 15.343 1.00 31.35 O ATOM 603 CB LYS A 540 0.501 -18.531 16.419 1.00 43.55 C ATOM 604 CG LYS A 540 -0.016 -17.199 16.902 1.00 71.12 C ATOM 605 CD LYS A 540 0.684 -16.747 18.160 1.00 24.42 C ATOM 606 CE LYS A 540 0.078 -15.456 18.650 1.00 55.32 C ATOM 607 NZ LYS A 540 0.320 -14.341 17.715 1.00 74.33 N ATOM 0 H LYS A 540 -0.963 -17.625 13.931 1.00 42.24 H new ATOM 0 HA LYS A 540 0.141 -20.078 14.976 1.00 75.10 H new ATOM 0 HB2 LYS A 540 0.469 -19.243 17.244 1.00 43.55 H new ATOM 0 HB3 LYS A 540 1.547 -18.422 16.132 1.00 43.55 H new ATOM 0 HG2 LYS A 540 0.122 -16.451 16.121 1.00 71.12 H new ATOM 0 HG3 LYS A 540 -1.087 -17.271 17.089 1.00 71.12 H new ATOM 0 HD2 LYS A 540 0.598 -17.514 18.930 1.00 24.42 H new ATOM 0 HD3 LYS A 540 1.747 -16.609 17.965 1.00 24.42 H new ATOM 0 HE2 LYS A 540 -0.995 -15.588 18.786 1.00 55.32 H new ATOM 0 HE3 LYS A 540 0.495 -15.207 19.626 1.00 55.32 H new ATOM 0 HZ1 LYS A 540 0.883 -13.606 18.189 1.00 74.33 H new ATOM 0 HZ2 LYS A 540 0.838 -14.691 16.884 1.00 74.33 H new ATOM 0 HZ3 LYS A 540 -0.590 -13.938 17.412 1.00 74.33 H new ATOM 621 N THR A 541 -2.059 -20.392 16.212 1.00 43.13 N ATOM 622 CA THR A 541 -3.369 -20.623 16.750 1.00 75.13 C ATOM 623 C THR A 541 -3.452 -20.016 18.136 1.00 32.42 C ATOM 624 O THR A 541 -2.533 -20.172 18.935 1.00 70.43 O ATOM 625 CB THR A 541 -3.646 -22.124 16.860 1.00 54.41 C ATOM 626 OG1 THR A 541 -2.504 -22.762 17.446 1.00 63.43 O ATOM 627 CG2 THR A 541 -3.944 -22.742 15.511 1.00 35.41 C ATOM 0 H THR A 541 -1.413 -21.172 16.333 1.00 43.13 H new ATOM 0 HA THR A 541 -4.104 -20.168 16.086 1.00 75.13 H new ATOM 0 HB THR A 541 -4.527 -22.268 17.486 1.00 54.41 H new ATOM 0 HG1 THR A 541 -2.026 -22.121 18.013 1.00 63.43 H new ATOM 0 HG21 THR A 541 -4.135 -23.808 15.633 1.00 35.41 H new ATOM 0 HG22 THR A 541 -4.822 -22.264 15.078 1.00 35.41 H new ATOM 0 HG23 THR A 541 -3.090 -22.600 14.849 1.00 35.41 H new ATOM 635 N ILE A 542 -4.505 -19.330 18.405 1.00 23.41 N ATOM 636 CA ILE A 542 -4.728 -18.726 19.690 1.00 44.24 C ATOM 637 C ILE A 542 -5.769 -19.543 20.420 1.00 43.13 C ATOM 638 O ILE A 542 -6.891 -19.676 19.933 1.00 23.22 O ATOM 639 CB ILE A 542 -5.253 -17.285 19.515 1.00 30.14 C ATOM 640 CG1 ILE A 542 -4.240 -16.440 18.741 1.00 40.01 C ATOM 641 CG2 ILE A 542 -5.584 -16.643 20.869 1.00 25.30 C ATOM 642 CD1 ILE A 542 -4.757 -15.080 18.360 1.00 0.44 C ATOM 0 H ILE A 542 -5.255 -19.164 17.734 1.00 23.41 H new ATOM 0 HA ILE A 542 -3.794 -18.697 20.251 1.00 44.24 H new ATOM 0 HB ILE A 542 -6.178 -17.329 18.940 1.00 30.14 H new ATOM 0 HG12 ILE A 542 -3.341 -16.321 19.346 1.00 40.01 H new ATOM 0 HG13 ILE A 542 -3.948 -16.975 17.837 1.00 40.01 H new ATOM 0 HG21 ILE A 542 -5.951 -15.629 20.711 1.00 25.30 H new ATOM 0 HG22 ILE A 542 -6.350 -17.232 21.373 1.00 25.30 H new ATOM 0 HG23 ILE A 542 -4.686 -16.612 21.486 1.00 25.30 H new ATOM 0 HD11 ILE A 542 -3.985 -14.537 17.814 1.00 0.44 H new ATOM 0 HD12 ILE A 542 -5.639 -15.190 17.729 1.00 0.44 H new ATOM 0 HD13 ILE A 542 -5.022 -14.526 19.261 1.00 0.44 H new ATOM 654 N GLU A 543 -5.403 -20.096 21.549 1.00 40.24 N ATOM 655 CA GLU A 543 -6.319 -20.904 22.326 1.00 3.24 C ATOM 656 C GLU A 543 -7.321 -20.009 23.049 1.00 1.44 C ATOM 657 O GLU A 543 -6.956 -18.952 23.565 1.00 75.24 O ATOM 658 CB GLU A 543 -5.556 -21.810 23.304 1.00 61.14 C ATOM 659 CG GLU A 543 -4.696 -22.864 22.610 1.00 61.00 C ATOM 660 CD GLU A 543 -3.951 -23.759 23.571 1.00 12.32 C ATOM 661 OE1 GLU A 543 -4.596 -24.409 24.416 1.00 13.13 O ATOM 662 OE2 GLU A 543 -2.713 -23.876 23.466 1.00 42.11 O ATOM 0 H GLU A 543 -4.472 -20.003 21.955 1.00 40.24 H new ATOM 0 HA GLU A 543 -6.874 -21.556 21.652 1.00 3.24 H new ATOM 0 HB2 GLU A 543 -4.920 -21.193 23.938 1.00 61.14 H new ATOM 0 HB3 GLU A 543 -6.271 -22.309 23.959 1.00 61.14 H new ATOM 0 HG2 GLU A 543 -5.332 -23.478 21.972 1.00 61.00 H new ATOM 0 HG3 GLU A 543 -3.978 -22.365 21.959 1.00 61.00 H new ATOM 669 N GLY A 544 -8.569 -20.419 23.056 1.00 54.31 N ATOM 670 CA GLY A 544 -9.615 -19.628 23.663 1.00 0.11 C ATOM 671 C GLY A 544 -10.563 -20.503 24.432 1.00 0.31 C ATOM 672 O GLY A 544 -10.233 -20.971 25.516 1.00 0.52 O ATOM 0 H GLY A 544 -8.885 -21.298 22.647 1.00 54.31 H new ATOM 0 HA2 GLY A 544 -9.176 -18.885 24.329 1.00 0.11 H new ATOM 0 HA3 GLY A 544 -10.159 -19.083 22.892 1.00 0.11 H new ATOM 676 N THR A 545 -11.728 -20.759 23.875 1.00 1.03 N ATOM 677 CA THR A 545 -12.669 -21.655 24.508 1.00 22.55 C ATOM 678 C THR A 545 -12.418 -23.069 24.017 1.00 62.54 C ATOM 679 O THR A 545 -12.991 -24.038 24.509 1.00 24.14 O ATOM 680 CB THR A 545 -14.123 -21.221 24.261 1.00 62.03 C ATOM 681 OG1 THR A 545 -14.337 -20.988 22.859 1.00 41.12 O ATOM 682 CG2 THR A 545 -14.429 -19.954 25.033 1.00 73.12 C ATOM 0 H THR A 545 -12.044 -20.361 22.990 1.00 1.03 H new ATOM 0 HA THR A 545 -12.518 -21.621 25.587 1.00 22.55 H new ATOM 0 HB THR A 545 -14.785 -22.018 24.601 1.00 62.03 H new ATOM 0 HG1 THR A 545 -15.266 -20.714 22.711 1.00 41.12 H new ATOM 0 HG21 THR A 545 -15.462 -19.657 24.850 1.00 73.12 H new ATOM 0 HG22 THR A 545 -14.287 -20.134 26.099 1.00 73.12 H new ATOM 0 HG23 THR A 545 -13.759 -19.158 24.707 1.00 73.12 H new ATOM 690 N ALA A 546 -11.568 -23.155 23.020 1.00 70.25 N ATOM 691 CA ALA A 546 -11.085 -24.394 22.504 1.00 34.04 C ATOM 692 C ALA A 546 -9.609 -24.464 22.845 1.00 33.23 C ATOM 693 O ALA A 546 -8.898 -23.445 22.719 1.00 12.12 O ATOM 694 CB ALA A 546 -11.290 -24.460 21.000 1.00 73.02 C ATOM 0 H ALA A 546 -11.190 -22.338 22.540 1.00 70.25 H new ATOM 0 HA ALA A 546 -11.625 -25.235 22.939 1.00 34.04 H new ATOM 0 HB1 ALA A 546 -10.916 -25.412 20.623 1.00 73.02 H new ATOM 0 HB2 ALA A 546 -12.353 -24.372 20.773 1.00 73.02 H new ATOM 0 HB3 ALA A 546 -10.749 -23.643 20.523 1.00 73.02 H new ATOM 700 N ARG A 547 -9.154 -25.600 23.295 1.00 34.23 N ATOM 701 CA ARG A 547 -7.771 -25.763 23.697 1.00 75.02 C ATOM 702 C ARG A 547 -6.965 -26.600 22.734 1.00 62.22 C ATOM 703 O ARG A 547 -7.494 -27.507 22.057 1.00 24.12 O ATOM 704 CB ARG A 547 -7.701 -26.325 25.090 1.00 73.34 C ATOM 705 CG ARG A 547 -8.041 -25.293 26.140 1.00 22.03 C ATOM 706 CD ARG A 547 -8.770 -25.917 27.286 1.00 25.52 C ATOM 707 NE ARG A 547 -10.024 -26.485 26.817 1.00 31.44 N ATOM 708 CZ ARG A 547 -11.180 -25.826 26.718 1.00 22.21 C ATOM 709 NH1 ARG A 547 -11.342 -24.643 27.322 1.00 40.05 N ATOM 710 NH2 ARG A 547 -12.180 -26.360 26.036 1.00 33.51 N ATOM 0 H ARG A 547 -9.723 -26.440 23.396 1.00 34.23 H new ATOM 0 HA ARG A 547 -7.317 -24.772 23.684 1.00 75.02 H new ATOM 0 HB2 ARG A 547 -8.388 -27.167 25.175 1.00 73.34 H new ATOM 0 HB3 ARG A 547 -6.699 -26.711 25.274 1.00 73.34 H new ATOM 0 HG2 ARG A 547 -7.127 -24.820 26.500 1.00 22.03 H new ATOM 0 HG3 ARG A 547 -8.654 -24.508 25.698 1.00 22.03 H new ATOM 0 HD2 ARG A 547 -8.155 -26.694 27.741 1.00 25.52 H new ATOM 0 HD3 ARG A 547 -8.963 -25.171 28.057 1.00 25.52 H new ATOM 0 HE ARG A 547 -10.019 -27.467 26.541 1.00 31.44 H new ATOM 0 HH11 ARG A 547 -10.578 -24.238 27.863 1.00 40.05 H new ATOM 0 HH12 ARG A 547 -12.229 -24.146 27.241 1.00 40.05 H new ATOM 0 HH21 ARG A 547 -12.065 -27.270 25.590 1.00 33.51 H new ATOM 0 HH22 ARG A 547 -13.066 -25.862 25.956 1.00 33.51 H new ATOM 724 N GLY A 548 -5.691 -26.292 22.673 1.00 73.14 N ATOM 725 CA GLY A 548 -4.783 -26.971 21.800 1.00 62.31 C ATOM 726 C GLY A 548 -4.156 -28.148 22.485 1.00 4.15 C ATOM 727 O GLY A 548 -4.786 -28.778 23.329 1.00 70.03 O ATOM 0 H GLY A 548 -5.260 -25.558 23.234 1.00 73.14 H new ATOM 0 HA2 GLY A 548 -5.312 -27.305 20.908 1.00 62.31 H new ATOM 0 HA3 GLY A 548 -4.006 -26.281 21.470 1.00 62.31 H new ATOM 731 N GLY A 549 -2.921 -28.447 22.141 1.00 40.41 N ATOM 732 CA GLY A 549 -2.228 -29.581 22.721 1.00 73.03 C ATOM 733 C GLY A 549 -2.897 -30.887 22.371 1.00 15.43 C ATOM 734 O GLY A 549 -2.830 -31.846 23.127 1.00 2.25 O ATOM 0 H GLY A 549 -2.374 -27.920 21.461 1.00 40.41 H new ATOM 0 HA2 GLY A 549 -1.197 -29.595 22.369 1.00 73.03 H new ATOM 0 HA3 GLY A 549 -2.193 -29.470 23.805 1.00 73.03 H new ATOM 738 N GLY A 550 -3.557 -30.909 21.227 1.00 13.44 N ATOM 739 CA GLY A 550 -4.280 -32.072 20.798 1.00 74.15 C ATOM 740 C GLY A 550 -5.556 -32.302 21.616 1.00 50.30 C ATOM 741 O GLY A 550 -6.023 -33.439 21.731 1.00 70.32 O ATOM 0 H GLY A 550 -3.601 -30.122 20.580 1.00 13.44 H new ATOM 0 HA2 GLY A 550 -4.541 -31.966 19.745 1.00 74.15 H new ATOM 0 HA3 GLY A 550 -3.636 -32.948 20.880 1.00 74.15 H new ATOM 745 N GLU A 551 -6.109 -31.244 22.202 1.00 53.22 N ATOM 746 CA GLU A 551 -7.325 -31.384 22.994 1.00 22.15 C ATOM 747 C GLU A 551 -8.561 -31.204 22.126 1.00 64.25 C ATOM 748 O GLU A 551 -9.196 -32.171 21.746 1.00 31.43 O ATOM 749 CB GLU A 551 -7.348 -30.415 24.171 1.00 1.22 C ATOM 750 CG GLU A 551 -8.493 -30.664 25.129 1.00 1.43 C ATOM 751 CD GLU A 551 -8.478 -29.744 26.303 1.00 5.10 C ATOM 752 OE1 GLU A 551 -7.457 -29.723 27.041 1.00 41.13 O ATOM 753 OE2 GLU A 551 -9.492 -29.074 26.558 1.00 64.34 O ATOM 0 H GLU A 551 -5.741 -30.294 22.145 1.00 53.22 H new ATOM 0 HA GLU A 551 -7.333 -32.395 23.401 1.00 22.15 H new ATOM 0 HB2 GLU A 551 -6.406 -30.491 24.714 1.00 1.22 H new ATOM 0 HB3 GLU A 551 -7.416 -29.395 23.792 1.00 1.22 H new ATOM 0 HG2 GLU A 551 -9.437 -30.550 24.596 1.00 1.43 H new ATOM 0 HG3 GLU A 551 -8.448 -31.695 25.481 1.00 1.43 H new ATOM 760 N ASP A 552 -8.886 -29.969 21.800 1.00 53.35 N ATOM 761 CA ASP A 552 -10.034 -29.699 20.944 1.00 45.10 C ATOM 762 C ASP A 552 -9.545 -29.546 19.542 1.00 44.15 C ATOM 763 O ASP A 552 -10.204 -29.928 18.583 1.00 50.43 O ATOM 764 CB ASP A 552 -10.798 -28.430 21.359 1.00 43.44 C ATOM 765 CG ASP A 552 -11.376 -28.479 22.755 1.00 21.00 C ATOM 766 OD1 ASP A 552 -12.321 -29.272 23.007 1.00 4.22 O ATOM 767 OD2 ASP A 552 -10.923 -27.705 23.613 1.00 65.50 O ATOM 0 H ASP A 552 -8.379 -29.140 22.109 1.00 53.35 H new ATOM 0 HA ASP A 552 -10.729 -30.533 21.036 1.00 45.10 H new ATOM 0 HB2 ASP A 552 -10.125 -27.575 21.287 1.00 43.44 H new ATOM 0 HB3 ASP A 552 -11.607 -28.259 20.649 1.00 43.44 H new ATOM 772 N PHE A 553 -8.380 -28.990 19.421 1.00 1.42 N ATOM 773 CA PHE A 553 -7.746 -28.840 18.159 1.00 74.32 C ATOM 774 C PHE A 553 -6.269 -29.025 18.350 1.00 53.20 C ATOM 775 O PHE A 553 -5.757 -28.933 19.477 1.00 45.23 O ATOM 776 CB PHE A 553 -8.054 -27.466 17.509 1.00 2.45 C ATOM 777 CG PHE A 553 -7.482 -26.268 18.226 1.00 60.05 C ATOM 778 CD1 PHE A 553 -8.120 -25.721 19.319 1.00 13.35 C ATOM 779 CD2 PHE A 553 -6.305 -25.688 17.790 1.00 21.25 C ATOM 780 CE1 PHE A 553 -7.593 -24.623 19.965 1.00 71.53 C ATOM 781 CE2 PHE A 553 -5.778 -24.594 18.433 1.00 23.42 C ATOM 782 CZ PHE A 553 -6.419 -24.061 19.520 1.00 34.33 C ATOM 0 H PHE A 553 -7.841 -28.625 20.207 1.00 1.42 H new ATOM 0 HA PHE A 553 -8.135 -29.594 17.474 1.00 74.32 H new ATOM 0 HB2 PHE A 553 -7.673 -27.473 16.488 1.00 2.45 H new ATOM 0 HB3 PHE A 553 -9.136 -27.348 17.445 1.00 2.45 H new ATOM 0 HD1 PHE A 553 -9.042 -26.157 19.673 1.00 13.35 H new ATOM 0 HD2 PHE A 553 -5.793 -26.100 16.933 1.00 21.25 H new ATOM 0 HE1 PHE A 553 -8.102 -24.204 20.820 1.00 71.53 H new ATOM 0 HE2 PHE A 553 -4.857 -24.154 18.081 1.00 23.42 H new ATOM 0 HZ PHE A 553 -6.004 -23.202 20.026 1.00 34.33 H new ATOM 792 N GLU A 554 -5.611 -29.332 17.301 1.00 25.25 N ATOM 793 CA GLU A 554 -4.203 -29.468 17.301 1.00 13.22 C ATOM 794 C GLU A 554 -3.672 -28.072 16.992 1.00 50.24 C ATOM 795 O GLU A 554 -3.913 -27.534 15.910 1.00 32.41 O ATOM 796 CB GLU A 554 -3.849 -30.486 16.213 1.00 11.45 C ATOM 797 CG GLU A 554 -2.538 -31.222 16.375 1.00 71.23 C ATOM 798 CD GLU A 554 -1.321 -30.380 16.160 1.00 54.42 C ATOM 799 OE1 GLU A 554 -0.995 -30.072 14.993 1.00 60.13 O ATOM 800 OE2 GLU A 554 -0.646 -30.046 17.147 1.00 13.45 O ATOM 0 H GLU A 554 -6.044 -29.501 16.393 1.00 25.25 H new ATOM 0 HA GLU A 554 -3.776 -29.824 18.238 1.00 13.22 H new ATOM 0 HB2 GLU A 554 -4.650 -31.224 16.163 1.00 11.45 H new ATOM 0 HB3 GLU A 554 -3.833 -29.968 15.254 1.00 11.45 H new ATOM 0 HG2 GLU A 554 -2.497 -31.648 17.378 1.00 71.23 H new ATOM 0 HG3 GLU A 554 -2.515 -32.056 15.673 1.00 71.23 H new ATOM 807 N ASP A 555 -3.031 -27.465 17.960 1.00 25.33 N ATOM 808 CA ASP A 555 -2.582 -26.095 17.822 1.00 42.21 C ATOM 809 C ASP A 555 -1.335 -26.034 16.988 1.00 64.40 C ATOM 810 O ASP A 555 -0.364 -26.740 17.234 1.00 74.33 O ATOM 811 CB ASP A 555 -2.410 -25.377 19.184 1.00 42.23 C ATOM 812 CG ASP A 555 -1.245 -25.840 20.018 1.00 55.34 C ATOM 813 OD1 ASP A 555 -1.303 -26.940 20.585 1.00 34.31 O ATOM 814 OD2 ASP A 555 -0.257 -25.080 20.149 1.00 13.33 O ATOM 0 H ASP A 555 -2.806 -27.897 18.856 1.00 25.33 H new ATOM 0 HA ASP A 555 -3.367 -25.546 17.301 1.00 42.21 H new ATOM 0 HB2 ASP A 555 -2.301 -24.308 19.000 1.00 42.23 H new ATOM 0 HB3 ASP A 555 -3.324 -25.509 19.763 1.00 42.23 H new ATOM 819 N THR A 556 -1.357 -25.187 16.016 1.00 52.34 N ATOM 820 CA THR A 556 -0.322 -25.154 15.049 1.00 33.12 C ATOM 821 C THR A 556 0.209 -23.728 14.878 1.00 24.51 C ATOM 822 O THR A 556 -0.447 -22.743 15.275 1.00 23.40 O ATOM 823 CB THR A 556 -0.856 -25.726 13.692 1.00 62.01 C ATOM 824 OG1 THR A 556 0.206 -25.887 12.755 1.00 53.44 O ATOM 825 CG2 THR A 556 -1.928 -24.825 13.085 1.00 13.34 C ATOM 0 H THR A 556 -2.096 -24.498 15.872 1.00 52.34 H new ATOM 0 HA THR A 556 0.507 -25.775 15.387 1.00 33.12 H new ATOM 0 HB THR A 556 -1.299 -26.698 13.910 1.00 62.01 H new ATOM 0 HG1 THR A 556 -0.150 -26.247 11.916 1.00 53.44 H new ATOM 0 HG21 THR A 556 -2.274 -25.254 12.145 1.00 13.34 H new ATOM 0 HG22 THR A 556 -2.767 -24.741 13.776 1.00 13.34 H new ATOM 0 HG23 THR A 556 -1.510 -23.836 12.900 1.00 13.34 H new ATOM 833 N CYS A 557 1.378 -23.632 14.325 1.00 14.01 N ATOM 834 CA CYS A 557 2.024 -22.387 14.057 1.00 1.33 C ATOM 835 C CYS A 557 2.931 -22.596 12.870 1.00 31.33 C ATOM 836 O CYS A 557 3.234 -23.745 12.520 1.00 42.34 O ATOM 837 CB CYS A 557 2.820 -21.924 15.284 1.00 71.22 C ATOM 838 SG CYS A 557 4.025 -23.135 15.898 1.00 5.44 S ATOM 0 H CYS A 557 1.925 -24.444 14.039 1.00 14.01 H new ATOM 0 HA CYS A 557 1.292 -21.610 13.837 1.00 1.33 H new ATOM 0 HB2 CYS A 557 3.345 -21.002 15.034 1.00 71.22 H new ATOM 0 HB3 CYS A 557 2.122 -21.686 16.086 1.00 71.22 H new ATOM 0 HG CYS A 557 4.644 -22.646 16.932 1.00 5.44 H new ATOM 844 N GLY A 558 3.337 -21.540 12.234 1.00 32.04 N ATOM 845 CA GLY A 558 4.199 -21.671 11.114 1.00 54.30 C ATOM 846 C GLY A 558 4.243 -20.408 10.340 1.00 42.34 C ATOM 847 O GLY A 558 3.759 -19.374 10.812 1.00 14.24 O ATOM 0 H GLY A 558 3.083 -20.582 12.475 1.00 32.04 H new ATOM 0 HA2 GLY A 558 5.202 -21.934 11.449 1.00 54.30 H new ATOM 0 HA3 GLY A 558 3.853 -22.484 10.475 1.00 54.30 H new ATOM 851 N GLU A 559 4.787 -20.478 9.174 1.00 5.44 N ATOM 852 CA GLU A 559 4.934 -19.344 8.308 1.00 12.12 C ATOM 853 C GLU A 559 4.432 -19.692 6.928 1.00 10.41 C ATOM 854 O GLU A 559 4.668 -20.798 6.443 1.00 11.34 O ATOM 855 CB GLU A 559 6.401 -18.935 8.266 1.00 73.11 C ATOM 856 CG GLU A 559 6.902 -18.309 9.553 1.00 72.32 C ATOM 857 CD GLU A 559 8.404 -18.273 9.647 1.00 12.13 C ATOM 858 OE1 GLU A 559 9.026 -17.308 9.178 1.00 61.23 O ATOM 859 OE2 GLU A 559 8.995 -19.215 10.222 1.00 61.15 O ATOM 0 H GLU A 559 5.153 -21.345 8.780 1.00 5.44 H new ATOM 0 HA GLU A 559 4.347 -18.506 8.684 1.00 12.12 H new ATOM 0 HB2 GLU A 559 7.006 -19.813 8.041 1.00 73.11 H new ATOM 0 HB3 GLU A 559 6.548 -18.229 7.449 1.00 73.11 H new ATOM 0 HG2 GLU A 559 6.515 -17.293 9.631 1.00 72.32 H new ATOM 0 HG3 GLU A 559 6.504 -18.867 10.400 1.00 72.32 H new ATOM 866 N LEU A 560 3.718 -18.789 6.330 1.00 71.34 N ATOM 867 CA LEU A 560 3.201 -18.969 4.998 1.00 32.23 C ATOM 868 C LEU A 560 4.036 -18.185 4.036 1.00 63.11 C ATOM 869 O LEU A 560 4.365 -17.011 4.294 1.00 64.00 O ATOM 870 CB LEU A 560 1.745 -18.527 4.912 1.00 21.03 C ATOM 871 CG LEU A 560 0.753 -19.348 5.726 1.00 62.01 C ATOM 872 CD1 LEU A 560 -0.643 -18.772 5.618 1.00 4.20 C ATOM 873 CD2 LEU A 560 0.776 -20.814 5.290 1.00 5.41 C ATOM 0 H LEU A 560 3.472 -17.894 6.753 1.00 71.34 H new ATOM 0 HA LEU A 560 3.244 -20.028 4.744 1.00 32.23 H new ATOM 0 HB2 LEU A 560 1.681 -17.488 5.237 1.00 21.03 H new ATOM 0 HB3 LEU A 560 1.438 -18.554 3.866 1.00 21.03 H new ATOM 0 HG LEU A 560 1.054 -19.302 6.773 1.00 62.01 H new ATOM 0 HD11 LEU A 560 -1.332 -19.376 6.208 1.00 4.20 H new ATOM 0 HD12 LEU A 560 -0.644 -17.749 5.994 1.00 4.20 H new ATOM 0 HD13 LEU A 560 -0.959 -18.776 4.575 1.00 4.20 H new ATOM 0 HD21 LEU A 560 0.060 -21.382 5.884 1.00 5.41 H new ATOM 0 HD22 LEU A 560 0.509 -20.884 4.236 1.00 5.41 H new ATOM 0 HD23 LEU A 560 1.776 -21.222 5.439 1.00 5.41 H new ATOM 885 N GLU A 561 4.396 -18.811 2.955 1.00 4.40 N ATOM 886 CA GLU A 561 5.236 -18.189 1.987 1.00 13.11 C ATOM 887 C GLU A 561 4.413 -17.595 0.863 1.00 41.13 C ATOM 888 O GLU A 561 3.679 -18.300 0.169 1.00 44.12 O ATOM 889 CB GLU A 561 6.221 -19.193 1.428 1.00 5.24 C ATOM 890 CG GLU A 561 7.310 -18.568 0.584 1.00 30.22 C ATOM 891 CD GLU A 561 8.209 -19.583 -0.055 1.00 53.52 C ATOM 892 OE1 GLU A 561 7.894 -20.084 -1.147 1.00 14.11 O ATOM 893 OE2 GLU A 561 9.257 -19.889 0.508 1.00 72.43 O ATOM 0 H GLU A 561 4.114 -19.764 2.724 1.00 4.40 H new ATOM 0 HA GLU A 561 5.784 -17.385 2.478 1.00 13.11 H new ATOM 0 HB2 GLU A 561 6.680 -19.737 2.253 1.00 5.24 H new ATOM 0 HB3 GLU A 561 5.680 -19.923 0.826 1.00 5.24 H new ATOM 0 HG2 GLU A 561 6.853 -17.955 -0.193 1.00 30.22 H new ATOM 0 HG3 GLU A 561 7.907 -17.902 1.206 1.00 30.22 H new ATOM 900 N PHE A 562 4.521 -16.316 0.701 1.00 32.21 N ATOM 901 CA PHE A 562 3.864 -15.631 -0.360 1.00 43.30 C ATOM 902 C PHE A 562 4.905 -15.041 -1.267 1.00 20.21 C ATOM 903 O PHE A 562 5.999 -14.690 -0.826 1.00 3.44 O ATOM 904 CB PHE A 562 2.949 -14.544 0.171 1.00 44.13 C ATOM 905 CG PHE A 562 1.773 -15.054 0.949 1.00 25.15 C ATOM 906 CD1 PHE A 562 0.610 -15.409 0.299 1.00 10.24 C ATOM 907 CD2 PHE A 562 1.819 -15.147 2.326 1.00 53.12 C ATOM 908 CE1 PHE A 562 -0.490 -15.846 1.008 1.00 51.54 C ATOM 909 CE2 PHE A 562 0.728 -15.590 3.041 1.00 11.11 C ATOM 910 CZ PHE A 562 -0.429 -15.935 2.381 1.00 43.42 C ATOM 0 H PHE A 562 5.074 -15.713 1.309 1.00 32.21 H new ATOM 0 HA PHE A 562 3.244 -16.337 -0.912 1.00 43.30 H new ATOM 0 HB2 PHE A 562 3.529 -13.876 0.808 1.00 44.13 H new ATOM 0 HB3 PHE A 562 2.585 -13.950 -0.667 1.00 44.13 H new ATOM 0 HD1 PHE A 562 0.559 -15.344 -0.778 1.00 10.24 H new ATOM 0 HD2 PHE A 562 2.722 -14.869 2.849 1.00 53.12 H new ATOM 0 HE1 PHE A 562 -1.397 -16.118 0.488 1.00 51.54 H new ATOM 0 HE2 PHE A 562 0.781 -15.666 4.117 1.00 11.11 H new ATOM 0 HZ PHE A 562 -1.289 -16.275 2.939 1.00 43.42 H new ATOM 920 N GLN A 563 4.605 -14.950 -2.518 1.00 31.01 N ATOM 921 CA GLN A 563 5.543 -14.434 -3.482 1.00 53.54 C ATOM 922 C GLN A 563 4.784 -13.607 -4.473 1.00 33.53 C ATOM 923 O GLN A 563 3.615 -13.319 -4.245 1.00 72.12 O ATOM 924 CB GLN A 563 6.278 -15.565 -4.193 1.00 13.11 C ATOM 925 CG GLN A 563 7.052 -16.493 -3.275 1.00 73.42 C ATOM 926 CD GLN A 563 7.866 -17.501 -4.021 1.00 32.41 C ATOM 927 OE1 GLN A 563 7.411 -18.605 -4.318 1.00 55.54 O ATOM 928 NE2 GLN A 563 9.061 -17.128 -4.352 1.00 40.51 N ATOM 0 H GLN A 563 3.706 -15.228 -2.911 1.00 31.01 H new ATOM 0 HA GLN A 563 6.292 -13.827 -2.973 1.00 53.54 H new ATOM 0 HB2 GLN A 563 5.554 -16.154 -4.756 1.00 13.11 H new ATOM 0 HB3 GLN A 563 6.969 -15.133 -4.917 1.00 13.11 H new ATOM 0 HG2 GLN A 563 7.710 -15.901 -2.638 1.00 73.42 H new ATOM 0 HG3 GLN A 563 6.354 -17.011 -2.618 1.00 73.42 H new ATOM 0 HE21 GLN A 563 9.399 -16.203 -4.085 1.00 40.51 H new ATOM 0 HE22 GLN A 563 9.664 -17.759 -4.879 1.00 40.51 H new ATOM 937 N ASN A 564 5.422 -13.167 -5.526 1.00 63.23 N ATOM 938 CA ASN A 564 4.695 -12.443 -6.550 1.00 13.14 C ATOM 939 C ASN A 564 3.981 -13.439 -7.426 1.00 44.02 C ATOM 940 O ASN A 564 2.927 -13.161 -7.982 1.00 2.21 O ATOM 941 CB ASN A 564 5.581 -11.476 -7.377 1.00 64.42 C ATOM 942 CG ASN A 564 6.707 -12.134 -8.144 1.00 73.24 C ATOM 943 OD1 ASN A 564 7.809 -12.292 -7.617 1.00 14.12 O ATOM 944 ND2 ASN A 564 6.465 -12.481 -9.383 1.00 4.55 N ATOM 0 H ASN A 564 6.419 -13.290 -5.701 1.00 63.23 H new ATOM 0 HA ASN A 564 3.971 -11.794 -6.056 1.00 13.14 H new ATOM 0 HB2 ASN A 564 4.946 -10.940 -8.083 1.00 64.42 H new ATOM 0 HB3 ASN A 564 6.007 -10.733 -6.703 1.00 64.42 H new ATOM 0 HD21 ASN A 564 7.203 -12.899 -9.949 1.00 4.55 H new ATOM 0 HD22 ASN A 564 5.538 -12.333 -9.782 1.00 4.55 H new ATOM 951 N ASP A 565 4.551 -14.619 -7.512 1.00 52.15 N ATOM 952 CA ASP A 565 3.937 -15.714 -8.253 1.00 53.42 C ATOM 953 C ASP A 565 2.912 -16.458 -7.387 1.00 22.22 C ATOM 954 O ASP A 565 1.907 -16.937 -7.883 1.00 43.34 O ATOM 955 CB ASP A 565 4.994 -16.678 -8.786 1.00 13.31 C ATOM 956 CG ASP A 565 4.398 -17.774 -9.632 1.00 22.43 C ATOM 957 OD1 ASP A 565 3.830 -17.475 -10.708 1.00 10.34 O ATOM 958 OD2 ASP A 565 4.522 -18.956 -9.268 1.00 13.13 O ATOM 0 H ASP A 565 5.444 -14.853 -7.078 1.00 52.15 H new ATOM 0 HA ASP A 565 3.412 -15.284 -9.106 1.00 53.42 H new ATOM 0 HB2 ASP A 565 5.723 -16.123 -9.376 1.00 13.31 H new ATOM 0 HB3 ASP A 565 5.533 -17.121 -7.949 1.00 13.31 H new ATOM 963 N GLU A 566 3.163 -16.533 -6.088 1.00 62.13 N ATOM 964 CA GLU A 566 2.239 -17.167 -5.168 1.00 21.31 C ATOM 965 C GLU A 566 1.088 -16.246 -4.819 1.00 55.42 C ATOM 966 O GLU A 566 1.272 -15.033 -4.668 1.00 72.41 O ATOM 967 CB GLU A 566 2.943 -17.592 -3.894 1.00 45.22 C ATOM 968 CG GLU A 566 3.805 -18.815 -4.033 1.00 73.12 C ATOM 969 CD GLU A 566 3.014 -20.012 -4.513 1.00 41.13 C ATOM 970 OE1 GLU A 566 2.241 -20.586 -3.725 1.00 34.15 O ATOM 971 OE2 GLU A 566 3.135 -20.385 -5.685 1.00 55.21 O ATOM 0 H GLU A 566 4.004 -16.160 -5.649 1.00 62.13 H new ATOM 0 HA GLU A 566 1.845 -18.050 -5.671 1.00 21.31 H new ATOM 0 HB2 GLU A 566 3.561 -16.766 -3.543 1.00 45.22 H new ATOM 0 HB3 GLU A 566 2.193 -17.778 -3.125 1.00 45.22 H new ATOM 0 HG2 GLU A 566 4.615 -18.611 -4.733 1.00 73.12 H new ATOM 0 HG3 GLU A 566 4.265 -19.046 -3.072 1.00 73.12 H new ATOM 978 N ILE A 567 -0.074 -16.820 -4.670 1.00 63.41 N ATOM 979 CA ILE A 567 -1.272 -16.077 -4.358 1.00 62.32 C ATOM 980 C ILE A 567 -1.808 -16.368 -2.957 1.00 70.24 C ATOM 981 O ILE A 567 -1.609 -15.582 -2.050 1.00 24.31 O ATOM 982 CB ILE A 567 -2.401 -16.269 -5.410 1.00 23.21 C ATOM 983 CG1 ILE A 567 -2.462 -17.730 -5.911 1.00 44.42 C ATOM 984 CG2 ILE A 567 -2.235 -15.290 -6.565 1.00 71.12 C ATOM 985 CD1 ILE A 567 -3.744 -18.078 -6.610 1.00 45.13 C ATOM 0 H ILE A 567 -0.221 -17.825 -4.762 1.00 63.41 H new ATOM 0 HA ILE A 567 -0.961 -15.033 -4.389 1.00 62.32 H new ATOM 0 HB ILE A 567 -3.353 -16.055 -4.924 1.00 23.21 H new ATOM 0 HG12 ILE A 567 -1.629 -17.906 -6.591 1.00 44.42 H new ATOM 0 HG13 ILE A 567 -2.328 -18.401 -5.063 1.00 44.42 H new ATOM 0 HG21 ILE A 567 -3.036 -15.442 -7.289 1.00 71.12 H new ATOM 0 HG22 ILE A 567 -2.278 -14.269 -6.186 1.00 71.12 H new ATOM 0 HG23 ILE A 567 -1.272 -15.457 -7.048 1.00 71.12 H new ATOM 0 HD11 ILE A 567 -3.712 -19.119 -6.932 1.00 45.13 H new ATOM 0 HD12 ILE A 567 -4.581 -17.935 -5.927 1.00 45.13 H new ATOM 0 HD13 ILE A 567 -3.871 -17.433 -7.479 1.00 45.13 H new ATOM 997 N VAL A 568 -2.463 -17.489 -2.773 1.00 64.21 N ATOM 998 CA VAL A 568 -3.093 -17.769 -1.509 1.00 12.13 C ATOM 999 C VAL A 568 -2.436 -18.942 -0.785 1.00 75.41 C ATOM 1000 O VAL A 568 -1.936 -19.892 -1.399 1.00 41.10 O ATOM 1001 CB VAL A 568 -4.623 -18.030 -1.683 1.00 12.22 C ATOM 1002 CG1 VAL A 568 -4.907 -19.282 -2.483 1.00 35.40 C ATOM 1003 CG2 VAL A 568 -5.342 -18.085 -0.358 1.00 4.42 C ATOM 0 H VAL A 568 -2.572 -18.217 -3.479 1.00 64.21 H new ATOM 0 HA VAL A 568 -2.959 -16.881 -0.891 1.00 12.13 H new ATOM 0 HB VAL A 568 -5.008 -17.179 -2.245 1.00 12.22 H new ATOM 0 HG11 VAL A 568 -5.985 -19.418 -2.575 1.00 35.40 H new ATOM 0 HG12 VAL A 568 -4.467 -19.187 -3.476 1.00 35.40 H new ATOM 0 HG13 VAL A 568 -4.474 -20.144 -1.975 1.00 35.40 H new ATOM 0 HG21 VAL A 568 -6.403 -18.268 -0.527 1.00 4.42 H new ATOM 0 HG22 VAL A 568 -4.927 -18.890 0.248 1.00 4.42 H new ATOM 0 HG23 VAL A 568 -5.216 -17.136 0.164 1.00 4.42 H new ATOM 1013 N LYS A 569 -2.385 -18.840 0.501 1.00 34.20 N ATOM 1014 CA LYS A 569 -1.934 -19.901 1.341 1.00 15.14 C ATOM 1015 C LYS A 569 -3.031 -20.276 2.298 1.00 1.41 C ATOM 1016 O LYS A 569 -4.035 -19.569 2.400 1.00 11.21 O ATOM 1017 CB LYS A 569 -0.703 -19.479 2.093 1.00 3.01 C ATOM 1018 CG LYS A 569 0.533 -19.320 1.239 1.00 23.51 C ATOM 1019 CD LYS A 569 1.390 -20.572 1.183 1.00 33.54 C ATOM 1020 CE LYS A 569 0.714 -21.758 0.467 1.00 31.01 C ATOM 1021 NZ LYS A 569 0.391 -21.472 -0.964 1.00 22.13 N ATOM 0 H LYS A 569 -2.661 -18.000 1.009 1.00 34.20 H new ATOM 0 HA LYS A 569 -1.681 -20.767 0.729 1.00 15.14 H new ATOM 0 HB2 LYS A 569 -0.906 -18.533 2.594 1.00 3.01 H new ATOM 0 HB3 LYS A 569 -0.499 -20.215 2.871 1.00 3.01 H new ATOM 0 HG2 LYS A 569 0.234 -19.047 0.227 1.00 23.51 H new ATOM 0 HG3 LYS A 569 1.131 -18.496 1.628 1.00 23.51 H new ATOM 0 HD2 LYS A 569 2.325 -20.338 0.674 1.00 33.54 H new ATOM 0 HD3 LYS A 569 1.646 -20.871 2.199 1.00 33.54 H new ATOM 0 HE2 LYS A 569 1.370 -22.627 0.519 1.00 31.01 H new ATOM 0 HE3 LYS A 569 -0.203 -22.019 0.995 1.00 31.01 H new ATOM 0 HZ1 LYS A 569 0.196 -22.365 -1.461 1.00 22.13 H new ATOM 0 HZ2 LYS A 569 -0.446 -20.857 -1.015 1.00 22.13 H new ATOM 0 HZ3 LYS A 569 1.198 -20.995 -1.413 1.00 22.13 H new ATOM 1035 N THR A 570 -2.845 -21.357 2.982 1.00 13.01 N ATOM 1036 CA THR A 570 -3.830 -21.848 3.923 1.00 34.31 C ATOM 1037 C THR A 570 -3.209 -22.295 5.229 1.00 33.15 C ATOM 1038 O THR A 570 -2.067 -22.759 5.267 1.00 12.41 O ATOM 1039 CB THR A 570 -4.643 -23.029 3.336 1.00 3.21 C ATOM 1040 OG1 THR A 570 -3.793 -23.896 2.562 1.00 61.24 O ATOM 1041 CG2 THR A 570 -5.824 -22.565 2.505 1.00 71.13 C ATOM 0 H THR A 570 -2.007 -21.935 2.913 1.00 13.01 H new ATOM 0 HA THR A 570 -4.493 -21.005 4.118 1.00 34.31 H new ATOM 0 HB THR A 570 -5.046 -23.587 4.182 1.00 3.21 H new ATOM 0 HG1 THR A 570 -4.335 -24.598 2.144 1.00 61.24 H new ATOM 0 HG21 THR A 570 -6.359 -23.432 2.118 1.00 71.13 H new ATOM 0 HG22 THR A 570 -6.495 -21.972 3.126 1.00 71.13 H new ATOM 0 HG23 THR A 570 -5.467 -21.957 1.673 1.00 71.13 H new ATOM 1049 N ILE A 571 -3.937 -22.110 6.292 1.00 51.23 N ATOM 1050 CA ILE A 571 -3.565 -22.656 7.570 1.00 10.34 C ATOM 1051 C ILE A 571 -4.298 -23.969 7.721 1.00 54.44 C ATOM 1052 O ILE A 571 -5.512 -23.995 7.641 1.00 1.35 O ATOM 1053 CB ILE A 571 -3.920 -21.729 8.792 1.00 51.13 C ATOM 1054 CG1 ILE A 571 -3.115 -20.430 8.788 1.00 63.44 C ATOM 1055 CG2 ILE A 571 -3.683 -22.454 10.106 1.00 63.32 C ATOM 1056 CD1 ILE A 571 -3.525 -19.419 7.763 1.00 43.25 C ATOM 0 H ILE A 571 -4.806 -21.576 6.300 1.00 51.23 H new ATOM 0 HA ILE A 571 -2.481 -22.767 7.584 1.00 10.34 H new ATOM 0 HB ILE A 571 -4.976 -21.478 8.692 1.00 51.13 H new ATOM 0 HG12 ILE A 571 -3.192 -19.973 9.774 1.00 63.44 H new ATOM 0 HG13 ILE A 571 -2.065 -20.675 8.631 1.00 63.44 H new ATOM 0 HG21 ILE A 571 -3.935 -21.794 10.936 1.00 63.32 H new ATOM 0 HG22 ILE A 571 -4.309 -23.345 10.148 1.00 63.32 H new ATOM 0 HG23 ILE A 571 -2.635 -22.743 10.178 1.00 63.32 H new ATOM 0 HD11 ILE A 571 -2.890 -18.537 7.848 1.00 43.25 H new ATOM 0 HD12 ILE A 571 -3.420 -19.848 6.766 1.00 43.25 H new ATOM 0 HD13 ILE A 571 -4.564 -19.135 7.928 1.00 43.25 H new ATOM 1068 N SER A 572 -3.563 -25.038 7.858 1.00 25.44 N ATOM 1069 CA SER A 572 -4.136 -26.354 8.032 1.00 32.45 C ATOM 1070 C SER A 572 -4.131 -26.719 9.518 1.00 54.44 C ATOM 1071 O SER A 572 -3.075 -26.798 10.133 1.00 72.44 O ATOM 1072 CB SER A 572 -3.317 -27.363 7.221 1.00 43.11 C ATOM 1073 OG SER A 572 -3.254 -26.957 5.849 1.00 14.32 O ATOM 0 H SER A 572 -2.543 -25.026 7.853 1.00 25.44 H new ATOM 0 HA SER A 572 -5.167 -26.368 7.677 1.00 32.45 H new ATOM 0 HB2 SER A 572 -2.310 -27.440 7.632 1.00 43.11 H new ATOM 0 HB3 SER A 572 -3.768 -28.352 7.295 1.00 43.11 H new ATOM 0 HG SER A 572 -2.727 -27.607 5.339 1.00 14.32 H new ATOM 1079 N VAL A 573 -5.303 -26.885 10.094 1.00 3.43 N ATOM 1080 CA VAL A 573 -5.426 -27.230 11.514 1.00 62.11 C ATOM 1081 C VAL A 573 -6.186 -28.533 11.665 1.00 23.32 C ATOM 1082 O VAL A 573 -7.251 -28.715 11.040 1.00 71.41 O ATOM 1083 CB VAL A 573 -6.156 -26.109 12.331 1.00 21.51 C ATOM 1084 CG1 VAL A 573 -6.350 -26.490 13.796 1.00 52.12 C ATOM 1085 CG2 VAL A 573 -5.405 -24.805 12.241 1.00 13.04 C ATOM 0 H VAL A 573 -6.194 -26.788 9.607 1.00 3.43 H new ATOM 0 HA VAL A 573 -4.416 -27.334 11.911 1.00 62.11 H new ATOM 0 HB VAL A 573 -7.143 -25.991 11.884 1.00 21.51 H new ATOM 0 HG11 VAL A 573 -6.860 -25.680 14.318 1.00 52.12 H new ATOM 0 HG12 VAL A 573 -6.950 -27.398 13.859 1.00 52.12 H new ATOM 0 HG13 VAL A 573 -5.378 -26.665 14.258 1.00 52.12 H new ATOM 0 HG21 VAL A 573 -5.930 -24.042 12.816 1.00 13.04 H new ATOM 0 HG22 VAL A 573 -4.401 -24.935 12.644 1.00 13.04 H new ATOM 0 HG23 VAL A 573 -5.340 -24.494 11.198 1.00 13.04 H new ATOM 1095 N LYS A 574 -5.643 -29.434 12.457 1.00 53.31 N ATOM 1096 CA LYS A 574 -6.283 -30.687 12.747 1.00 11.13 C ATOM 1097 C LYS A 574 -7.236 -30.496 13.909 1.00 43.14 C ATOM 1098 O LYS A 574 -6.823 -30.155 15.012 1.00 1.31 O ATOM 1099 CB LYS A 574 -5.230 -31.767 13.079 1.00 23.23 C ATOM 1100 CG LYS A 574 -5.793 -33.128 13.510 1.00 11.53 C ATOM 1101 CD LYS A 574 -6.631 -33.775 12.416 1.00 1.53 C ATOM 1102 CE LYS A 574 -7.210 -35.106 12.860 1.00 75.03 C ATOM 1103 NZ LYS A 574 -6.168 -36.105 13.173 1.00 51.41 N ATOM 0 H LYS A 574 -4.741 -29.311 12.917 1.00 53.31 H new ATOM 0 HA LYS A 574 -6.841 -31.022 11.873 1.00 11.13 H new ATOM 0 HB2 LYS A 574 -4.599 -31.915 12.203 1.00 23.23 H new ATOM 0 HB3 LYS A 574 -4.587 -31.391 13.875 1.00 23.23 H new ATOM 0 HG2 LYS A 574 -4.971 -33.792 13.776 1.00 11.53 H new ATOM 0 HG3 LYS A 574 -6.402 -33.001 14.405 1.00 11.53 H new ATOM 0 HD2 LYS A 574 -7.441 -33.103 12.134 1.00 1.53 H new ATOM 0 HD3 LYS A 574 -6.016 -33.924 11.528 1.00 1.53 H new ATOM 0 HE2 LYS A 574 -7.834 -34.951 13.740 1.00 75.03 H new ATOM 0 HE3 LYS A 574 -7.857 -35.496 12.075 1.00 75.03 H new ATOM 0 HZ1 LYS A 574 -6.611 -37.034 13.322 1.00 51.41 H new ATOM 0 HZ2 LYS A 574 -5.496 -36.165 12.382 1.00 51.41 H new ATOM 0 HZ3 LYS A 574 -5.662 -35.820 14.036 1.00 51.41 H new ATOM 1117 N VAL A 575 -8.496 -30.669 13.661 1.00 2.22 N ATOM 1118 CA VAL A 575 -9.467 -30.559 14.713 1.00 12.13 C ATOM 1119 C VAL A 575 -9.568 -31.927 15.376 1.00 40.50 C ATOM 1120 O VAL A 575 -9.770 -32.942 14.687 1.00 11.33 O ATOM 1121 CB VAL A 575 -10.853 -30.097 14.177 1.00 51.14 C ATOM 1122 CG1 VAL A 575 -11.828 -29.853 15.322 1.00 44.34 C ATOM 1123 CG2 VAL A 575 -10.709 -28.837 13.327 1.00 50.20 C ATOM 0 H VAL A 575 -8.880 -30.887 12.742 1.00 2.22 H new ATOM 0 HA VAL A 575 -9.153 -29.801 15.431 1.00 12.13 H new ATOM 0 HB VAL A 575 -11.253 -30.895 13.552 1.00 51.14 H new ATOM 0 HG11 VAL A 575 -12.789 -29.531 14.920 1.00 44.34 H new ATOM 0 HG12 VAL A 575 -11.962 -30.775 15.888 1.00 44.34 H new ATOM 0 HG13 VAL A 575 -11.432 -29.078 15.978 1.00 44.34 H new ATOM 0 HG21 VAL A 575 -11.689 -28.530 12.962 1.00 50.20 H new ATOM 0 HG22 VAL A 575 -10.281 -28.037 13.931 1.00 50.20 H new ATOM 0 HG23 VAL A 575 -10.054 -29.042 12.480 1.00 50.20 H new ATOM 1133 N ILE A 576 -9.380 -31.964 16.675 1.00 43.43 N ATOM 1134 CA ILE A 576 -9.359 -33.206 17.440 1.00 23.40 C ATOM 1135 C ILE A 576 -10.766 -33.582 17.773 1.00 14.40 C ATOM 1136 O ILE A 576 -11.642 -32.704 17.827 1.00 54.11 O ATOM 1137 CB ILE A 576 -8.528 -33.039 18.749 1.00 33.10 C ATOM 1138 CG1 ILE A 576 -7.147 -32.444 18.446 1.00 54.54 C ATOM 1139 CG2 ILE A 576 -8.374 -34.367 19.498 1.00 33.23 C ATOM 1140 CD1 ILE A 576 -6.282 -33.280 17.536 1.00 50.13 C ATOM 0 H ILE A 576 -9.235 -31.129 17.243 1.00 43.43 H new ATOM 0 HA ILE A 576 -8.890 -33.989 16.844 1.00 23.40 H new ATOM 0 HB ILE A 576 -9.077 -32.351 19.392 1.00 33.10 H new ATOM 0 HG12 ILE A 576 -7.282 -31.462 17.994 1.00 54.54 H new ATOM 0 HG13 ILE A 576 -6.618 -32.292 19.387 1.00 54.54 H new ATOM 0 HG21 ILE A 576 -7.789 -34.208 20.404 1.00 33.23 H new ATOM 0 HG22 ILE A 576 -9.359 -34.751 19.765 1.00 33.23 H new ATOM 0 HG23 ILE A 576 -7.864 -35.088 18.859 1.00 33.23 H new ATOM 0 HD11 ILE A 576 -5.327 -32.778 17.380 1.00 50.13 H new ATOM 0 HD12 ILE A 576 -6.110 -34.255 17.992 1.00 50.13 H new ATOM 0 HD13 ILE A 576 -6.783 -33.412 16.577 1.00 50.13 H new ATOM 1278 N LYS A 585 -17.005 -24.383 20.429 1.00 21.12 N ATOM 1279 CA LYS A 585 -15.922 -23.655 21.023 1.00 65.20 C ATOM 1280 C LYS A 585 -15.148 -22.986 19.948 1.00 5.24 C ATOM 1281 O LYS A 585 -15.276 -23.347 18.796 1.00 45.33 O ATOM 1282 CB LYS A 585 -15.072 -24.666 21.787 1.00 70.03 C ATOM 1283 CG LYS A 585 -14.860 -25.951 20.992 1.00 34.44 C ATOM 1284 CD LYS A 585 -14.603 -27.110 21.897 1.00 61.22 C ATOM 1285 CE LYS A 585 -14.820 -28.425 21.171 1.00 62.21 C ATOM 1286 NZ LYS A 585 -14.773 -29.559 22.104 1.00 51.20 N ATOM 0 HA LYS A 585 -16.269 -22.882 21.708 1.00 65.20 H new ATOM 0 HB2 LYS A 585 -14.105 -24.222 22.023 1.00 70.03 H new ATOM 0 HB3 LYS A 585 -15.554 -24.902 22.736 1.00 70.03 H new ATOM 0 HG2 LYS A 585 -15.739 -26.152 20.380 1.00 34.44 H new ATOM 0 HG3 LYS A 585 -14.019 -25.825 20.310 1.00 34.44 H new ATOM 0 HD2 LYS A 585 -13.581 -27.063 22.273 1.00 61.22 H new ATOM 0 HD3 LYS A 585 -15.264 -27.054 22.762 1.00 61.22 H new ATOM 0 HE2 LYS A 585 -15.784 -28.408 20.663 1.00 62.21 H new ATOM 0 HE3 LYS A 585 -14.057 -28.550 20.403 1.00 62.21 H new ATOM 0 HZ1 LYS A 585 -14.720 -30.448 21.567 1.00 51.20 H new ATOM 0 HZ2 LYS A 585 -13.935 -29.472 22.714 1.00 51.20 H new ATOM 0 HZ3 LYS A 585 -15.631 -29.561 22.692 1.00 51.20 H new ATOM 1300 N THR A 586 -14.356 -22.040 20.287 1.00 20.34 N ATOM 1301 CA THR A 586 -13.670 -21.310 19.288 1.00 41.23 C ATOM 1302 C THR A 586 -12.270 -20.911 19.726 1.00 13.41 C ATOM 1303 O THR A 586 -11.974 -20.769 20.933 1.00 1.34 O ATOM 1304 CB THR A 586 -14.517 -20.079 18.804 1.00 30.15 C ATOM 1305 OG1 THR A 586 -13.830 -19.342 17.803 1.00 64.44 O ATOM 1306 CG2 THR A 586 -14.893 -19.158 19.950 1.00 52.41 C ATOM 0 H THR A 586 -14.166 -21.752 21.247 1.00 20.34 H new ATOM 0 HA THR A 586 -13.541 -21.972 18.432 1.00 41.23 H new ATOM 0 HB THR A 586 -15.435 -20.484 18.379 1.00 30.15 H new ATOM 0 HG1 THR A 586 -13.319 -19.957 17.237 1.00 64.44 H new ATOM 0 HG21 THR A 586 -15.478 -18.321 19.568 1.00 52.41 H new ATOM 0 HG22 THR A 586 -15.484 -19.710 20.681 1.00 52.41 H new ATOM 0 HG23 THR A 586 -13.988 -18.781 20.426 1.00 52.41 H new ATOM 1314 N PHE A 587 -11.411 -20.812 18.757 1.00 51.31 N ATOM 1315 CA PHE A 587 -10.078 -20.370 18.934 1.00 64.52 C ATOM 1316 C PHE A 587 -9.817 -19.368 17.844 1.00 21.31 C ATOM 1317 O PHE A 587 -10.591 -19.287 16.883 1.00 44.01 O ATOM 1318 CB PHE A 587 -9.075 -21.544 18.882 1.00 42.33 C ATOM 1319 CG PHE A 587 -8.936 -22.256 17.559 1.00 24.04 C ATOM 1320 CD1 PHE A 587 -9.810 -23.261 17.191 1.00 54.55 C ATOM 1321 CD2 PHE A 587 -7.892 -21.939 16.706 1.00 43.42 C ATOM 1322 CE1 PHE A 587 -9.642 -23.933 15.996 1.00 52.02 C ATOM 1323 CE2 PHE A 587 -7.728 -22.603 15.509 1.00 41.51 C ATOM 1324 CZ PHE A 587 -8.601 -23.601 15.157 1.00 33.11 C ATOM 0 H PHE A 587 -11.636 -21.047 17.790 1.00 51.31 H new ATOM 0 HA PHE A 587 -9.946 -19.919 19.917 1.00 64.52 H new ATOM 0 HB2 PHE A 587 -8.094 -21.167 19.171 1.00 42.33 H new ATOM 0 HB3 PHE A 587 -9.369 -22.277 19.634 1.00 42.33 H new ATOM 0 HD1 PHE A 587 -10.631 -23.523 17.843 1.00 54.55 H new ATOM 0 HD2 PHE A 587 -7.196 -21.160 16.982 1.00 43.42 H new ATOM 0 HE1 PHE A 587 -10.328 -24.720 15.719 1.00 52.02 H new ATOM 0 HE2 PHE A 587 -6.914 -22.338 14.850 1.00 41.51 H new ATOM 0 HZ PHE A 587 -8.472 -24.126 14.222 1.00 33.11 H new ATOM 1334 N PHE A 588 -8.772 -18.639 17.946 1.00 40.32 N ATOM 1335 CA PHE A 588 -8.522 -17.606 16.990 1.00 1.25 C ATOM 1336 C PHE A 588 -7.275 -17.917 16.220 1.00 15.13 C ATOM 1337 O PHE A 588 -6.450 -18.719 16.650 1.00 31.11 O ATOM 1338 CB PHE A 588 -8.428 -16.226 17.670 1.00 21.32 C ATOM 1339 CG PHE A 588 -9.678 -15.812 18.406 1.00 72.13 C ATOM 1340 CD1 PHE A 588 -9.867 -16.161 19.739 1.00 70.14 C ATOM 1341 CD2 PHE A 588 -10.661 -15.076 17.769 1.00 43.14 C ATOM 1342 CE1 PHE A 588 -11.013 -15.785 20.414 1.00 44.54 C ATOM 1343 CE2 PHE A 588 -11.807 -14.696 18.440 1.00 75.05 C ATOM 1344 CZ PHE A 588 -11.983 -15.051 19.764 1.00 43.10 C ATOM 0 H PHE A 588 -8.069 -18.730 18.679 1.00 40.32 H new ATOM 0 HA PHE A 588 -9.360 -17.565 16.295 1.00 1.25 H new ATOM 0 HB2 PHE A 588 -7.593 -16.235 18.371 1.00 21.32 H new ATOM 0 HB3 PHE A 588 -8.200 -15.475 16.913 1.00 21.32 H new ATOM 0 HD1 PHE A 588 -9.109 -16.733 20.253 1.00 70.14 H new ATOM 0 HD2 PHE A 588 -10.531 -14.795 16.734 1.00 43.14 H new ATOM 0 HE1 PHE A 588 -11.149 -16.065 21.448 1.00 44.54 H new ATOM 0 HE2 PHE A 588 -12.566 -14.121 17.930 1.00 75.05 H new ATOM 0 HZ PHE A 588 -12.879 -14.754 20.289 1.00 43.10 H new ATOM 1354 N LEU A 589 -7.147 -17.328 15.090 1.00 14.41 N ATOM 1355 CA LEU A 589 -5.985 -17.506 14.285 1.00 73.30 C ATOM 1356 C LEU A 589 -5.447 -16.128 14.013 1.00 25.23 C ATOM 1357 O LEU A 589 -6.187 -15.256 13.543 1.00 12.45 O ATOM 1358 CB LEU A 589 -6.352 -18.199 12.959 1.00 54.43 C ATOM 1359 CG LEU A 589 -5.345 -19.214 12.383 1.00 73.13 C ATOM 1360 CD1 LEU A 589 -3.956 -18.624 12.198 1.00 40.22 C ATOM 1361 CD2 LEU A 589 -5.302 -20.450 13.248 1.00 64.42 C ATOM 0 H LEU A 589 -7.847 -16.703 14.690 1.00 14.41 H new ATOM 0 HA LEU A 589 -5.248 -18.132 14.789 1.00 73.30 H new ATOM 0 HB2 LEU A 589 -7.303 -18.712 13.100 1.00 54.43 H new ATOM 0 HB3 LEU A 589 -6.515 -17.425 12.209 1.00 54.43 H new ATOM 0 HG LEU A 589 -5.693 -19.489 11.387 1.00 73.13 H new ATOM 0 HD11 LEU A 589 -3.289 -19.384 11.790 1.00 40.22 H new ATOM 0 HD12 LEU A 589 -4.008 -17.780 11.511 1.00 40.22 H new ATOM 0 HD13 LEU A 589 -3.573 -18.285 13.161 1.00 40.22 H new ATOM 0 HD21 LEU A 589 -4.588 -21.160 12.832 1.00 64.42 H new ATOM 0 HD22 LEU A 589 -4.996 -20.177 14.258 1.00 64.42 H new ATOM 0 HD23 LEU A 589 -6.291 -20.907 13.280 1.00 64.42 H new ATOM 1373 N GLU A 590 -4.215 -15.909 14.338 1.00 13.25 N ATOM 1374 CA GLU A 590 -3.616 -14.631 14.109 1.00 14.34 C ATOM 1375 C GLU A 590 -2.401 -14.780 13.245 1.00 61.04 C ATOM 1376 O GLU A 590 -1.534 -15.639 13.500 1.00 54.43 O ATOM 1377 CB GLU A 590 -3.262 -13.934 15.426 1.00 50.14 C ATOM 1378 CG GLU A 590 -2.566 -12.590 15.255 1.00 73.50 C ATOM 1379 CD GLU A 590 -2.284 -11.905 16.562 1.00 61.03 C ATOM 1380 OE1 GLU A 590 -1.411 -12.380 17.334 1.00 12.21 O ATOM 1381 OE2 GLU A 590 -2.893 -10.863 16.839 1.00 44.11 O ATOM 0 H GLU A 590 -3.599 -16.601 14.765 1.00 13.25 H new ATOM 0 HA GLU A 590 -4.342 -14.004 13.592 1.00 14.34 H new ATOM 0 HB2 GLU A 590 -4.175 -13.787 16.003 1.00 50.14 H new ATOM 0 HB3 GLU A 590 -2.619 -14.592 16.010 1.00 50.14 H new ATOM 0 HG2 GLU A 590 -1.629 -12.738 14.719 1.00 73.50 H new ATOM 0 HG3 GLU A 590 -3.187 -11.941 14.638 1.00 73.50 H new ATOM 1388 N ILE A 591 -2.350 -13.989 12.220 1.00 31.13 N ATOM 1389 CA ILE A 591 -1.220 -13.943 11.356 1.00 53.12 C ATOM 1390 C ILE A 591 -0.397 -12.749 11.738 1.00 33.03 C ATOM 1391 O ILE A 591 -0.944 -11.727 12.165 1.00 44.11 O ATOM 1392 CB ILE A 591 -1.609 -13.895 9.851 1.00 45.03 C ATOM 1393 CG1 ILE A 591 -2.574 -12.724 9.552 1.00 54.52 C ATOM 1394 CG2 ILE A 591 -2.208 -15.227 9.433 1.00 25.25 C ATOM 1395 CD1 ILE A 591 -2.971 -12.592 8.090 1.00 2.40 C ATOM 0 H ILE A 591 -3.102 -13.351 11.959 1.00 31.13 H new ATOM 0 HA ILE A 591 -0.647 -14.862 11.478 1.00 53.12 H new ATOM 0 HB ILE A 591 -0.707 -13.718 9.265 1.00 45.03 H new ATOM 0 HG12 ILE A 591 -3.476 -12.851 10.150 1.00 54.52 H new ATOM 0 HG13 ILE A 591 -2.107 -11.793 9.874 1.00 54.52 H new ATOM 0 HG21 ILE A 591 -2.479 -15.189 8.378 1.00 25.25 H new ATOM 0 HG22 ILE A 591 -1.477 -16.020 9.592 1.00 25.25 H new ATOM 0 HG23 ILE A 591 -3.098 -15.429 10.029 1.00 25.25 H new ATOM 0 HD11 ILE A 591 -3.648 -11.746 7.972 1.00 2.40 H new ATOM 0 HD12 ILE A 591 -2.079 -12.430 7.484 1.00 2.40 H new ATOM 0 HD13 ILE A 591 -3.470 -13.505 7.765 1.00 2.40 H new ATOM 1407 N GLY A 592 0.882 -12.886 11.652 1.00 5.14 N ATOM 1408 CA GLY A 592 1.757 -11.833 12.030 1.00 15.22 C ATOM 1409 C GLY A 592 1.959 -10.870 10.914 1.00 21.21 C ATOM 1410 O GLY A 592 1.371 -11.020 9.830 1.00 64.43 O ATOM 0 H GLY A 592 1.349 -13.729 11.318 1.00 5.14 H new ATOM 0 HA2 GLY A 592 1.348 -11.310 12.895 1.00 15.22 H new ATOM 0 HA3 GLY A 592 2.718 -12.248 12.334 1.00 15.22 H new ATOM 1414 N GLU A 593 2.787 -9.902 11.148 1.00 4.03 N ATOM 1415 CA GLU A 593 3.047 -8.910 10.171 1.00 31.13 C ATOM 1416 C GLU A 593 4.004 -9.437 9.120 1.00 14.13 C ATOM 1417 O GLU A 593 5.055 -10.005 9.445 1.00 51.22 O ATOM 1418 CB GLU A 593 3.509 -7.617 10.820 1.00 41.52 C ATOM 1419 CG GLU A 593 2.413 -7.013 11.675 1.00 24.13 C ATOM 1420 CD GLU A 593 2.800 -5.732 12.338 1.00 50.21 C ATOM 1421 OE1 GLU A 593 2.732 -4.672 11.684 1.00 60.52 O ATOM 1422 OE2 GLU A 593 3.144 -5.749 13.538 1.00 52.44 O ATOM 0 H GLU A 593 3.298 -9.783 12.023 1.00 4.03 H new ATOM 0 HA GLU A 593 2.121 -8.668 9.649 1.00 31.13 H new ATOM 0 HB2 GLU A 593 4.389 -7.809 11.434 1.00 41.52 H new ATOM 0 HB3 GLU A 593 3.807 -6.906 10.049 1.00 41.52 H new ATOM 0 HG2 GLU A 593 1.535 -6.838 11.053 1.00 24.13 H new ATOM 0 HG3 GLU A 593 2.123 -7.734 12.440 1.00 24.13 H new ATOM 1429 N PRO A 594 3.628 -9.284 7.854 1.00 74.30 N ATOM 1430 CA PRO A 594 4.374 -9.816 6.721 1.00 21.24 C ATOM 1431 C PRO A 594 5.793 -9.267 6.654 1.00 73.20 C ATOM 1432 O PRO A 594 6.017 -8.051 6.722 1.00 23.13 O ATOM 1433 CB PRO A 594 3.562 -9.353 5.500 1.00 73.05 C ATOM 1434 CG PRO A 594 2.710 -8.248 5.998 1.00 51.51 C ATOM 1435 CD PRO A 594 2.434 -8.545 7.426 1.00 41.23 C ATOM 0 HA PRO A 594 4.488 -10.898 6.785 1.00 21.24 H new ATOM 0 HB2 PRO A 594 4.217 -9.015 4.697 1.00 73.05 H new ATOM 0 HB3 PRO A 594 2.958 -10.166 5.097 1.00 73.05 H new ATOM 0 HG2 PRO A 594 3.216 -7.289 5.891 1.00 51.51 H new ATOM 0 HG3 PRO A 594 1.783 -8.185 5.428 1.00 51.51 H new ATOM 0 HD2 PRO A 594 2.295 -7.633 8.007 1.00 41.23 H new ATOM 0 HD3 PRO A 594 1.528 -9.140 7.545 1.00 41.23 H new ATOM 1443 N ARG A 595 6.747 -10.138 6.565 1.00 4.13 N ATOM 1444 CA ARG A 595 8.111 -9.713 6.465 1.00 30.41 C ATOM 1445 C ARG A 595 8.599 -9.923 5.051 1.00 24.15 C ATOM 1446 O ARG A 595 8.350 -10.979 4.447 1.00 62.43 O ATOM 1447 CB ARG A 595 9.036 -10.433 7.481 1.00 64.11 C ATOM 1448 CG ARG A 595 9.177 -11.943 7.283 1.00 1.13 C ATOM 1449 CD ARG A 595 10.235 -12.541 8.208 1.00 51.23 C ATOM 1450 NE ARG A 595 11.545 -11.882 8.036 1.00 2.00 N ATOM 1451 CZ ARG A 595 12.637 -12.410 7.433 1.00 63.20 C ATOM 1452 NH1 ARG A 595 12.624 -13.652 6.946 1.00 2.22 N ATOM 1453 NH2 ARG A 595 13.753 -11.691 7.340 1.00 4.03 N ATOM 0 H ARG A 595 6.609 -11.149 6.559 1.00 4.13 H new ATOM 0 HA ARG A 595 8.150 -8.653 6.714 1.00 30.41 H new ATOM 0 HB2 ARG A 595 10.027 -9.982 7.427 1.00 64.11 H new ATOM 0 HB3 ARG A 595 8.656 -10.249 8.486 1.00 64.11 H new ATOM 0 HG2 ARG A 595 8.217 -12.425 7.469 1.00 1.13 H new ATOM 0 HG3 ARG A 595 9.442 -12.150 6.246 1.00 1.13 H new ATOM 0 HD2 ARG A 595 9.911 -12.442 9.244 1.00 51.23 H new ATOM 0 HD3 ARG A 595 10.335 -13.607 8.006 1.00 51.23 H new ATOM 0 HE ARG A 595 11.637 -10.937 8.408 1.00 2.00 H new ATOM 0 HH11 ARG A 595 11.782 -14.222 7.024 1.00 2.22 H new ATOM 0 HH12 ARG A 595 13.456 -14.032 6.495 1.00 2.22 H new ATOM 0 HH21 ARG A 595 13.784 -10.746 7.722 1.00 4.03 H new ATOM 0 HH22 ARG A 595 14.577 -12.085 6.887 1.00 4.03 H new ATOM 1467 N LEU A 596 9.219 -8.919 4.505 1.00 15.45 N ATOM 1468 CA LEU A 596 9.814 -9.004 3.213 1.00 3.42 C ATOM 1469 C LEU A 596 11.050 -9.837 3.407 1.00 2.44 C ATOM 1470 O LEU A 596 11.780 -9.637 4.390 1.00 14.12 O ATOM 1471 CB LEU A 596 10.195 -7.574 2.739 1.00 41.21 C ATOM 1472 CG LEU A 596 10.419 -7.328 1.228 1.00 25.23 C ATOM 1473 CD1 LEU A 596 11.661 -8.023 0.692 1.00 73.05 C ATOM 1474 CD2 LEU A 596 9.197 -7.763 0.462 1.00 45.32 C ATOM 0 H LEU A 596 9.325 -8.009 4.953 1.00 15.45 H new ATOM 0 HA LEU A 596 9.150 -9.439 2.466 1.00 3.42 H new ATOM 0 HB2 LEU A 596 9.410 -6.895 3.072 1.00 41.21 H new ATOM 0 HB3 LEU A 596 11.108 -7.285 3.260 1.00 41.21 H new ATOM 0 HG LEU A 596 10.584 -6.259 1.091 1.00 25.23 H new ATOM 0 HD11 LEU A 596 11.765 -7.813 -0.373 1.00 73.05 H new ATOM 0 HD12 LEU A 596 12.540 -7.656 1.221 1.00 73.05 H new ATOM 0 HD13 LEU A 596 11.570 -9.099 0.843 1.00 73.05 H new ATOM 0 HD21 LEU A 596 9.354 -7.590 -0.603 1.00 45.32 H new ATOM 0 HD22 LEU A 596 9.018 -8.824 0.635 1.00 45.32 H new ATOM 0 HD23 LEU A 596 8.333 -7.190 0.799 1.00 45.32 H new ATOM 1486 N VAL A 597 11.285 -10.777 2.549 1.00 61.41 N ATOM 1487 CA VAL A 597 12.463 -11.587 2.698 1.00 72.31 C ATOM 1488 C VAL A 597 13.656 -10.842 2.090 1.00 73.22 C ATOM 1489 O VAL A 597 14.117 -11.129 0.983 1.00 41.44 O ATOM 1490 CB VAL A 597 12.284 -13.003 2.092 1.00 64.13 C ATOM 1491 CG1 VAL A 597 13.453 -13.904 2.457 1.00 23.32 C ATOM 1492 CG2 VAL A 597 10.977 -13.617 2.570 1.00 43.43 C ATOM 0 H VAL A 597 10.693 -11.005 1.750 1.00 61.41 H new ATOM 0 HA VAL A 597 12.649 -11.750 3.760 1.00 72.31 H new ATOM 0 HB VAL A 597 12.255 -12.908 1.007 1.00 64.13 H new ATOM 0 HG11 VAL A 597 13.302 -14.891 2.019 1.00 23.32 H new ATOM 0 HG12 VAL A 597 14.378 -13.474 2.072 1.00 23.32 H new ATOM 0 HG13 VAL A 597 13.518 -13.994 3.541 1.00 23.32 H new ATOM 0 HG21 VAL A 597 10.862 -14.611 2.138 1.00 43.43 H new ATOM 0 HG22 VAL A 597 10.987 -13.693 3.657 1.00 43.43 H new ATOM 0 HG23 VAL A 597 10.144 -12.988 2.258 1.00 43.43 H new ATOM 2079 N PRO A 634 6.097 -4.992 3.344 1.00 11.44 N ATOM 2080 CA PRO A 634 4.756 -5.408 3.058 1.00 62.51 C ATOM 2081 C PRO A 634 3.959 -5.334 4.338 1.00 75.01 C ATOM 2082 O PRO A 634 4.459 -5.707 5.404 1.00 52.51 O ATOM 2083 CB PRO A 634 4.902 -6.861 2.588 1.00 31.04 C ATOM 2084 CG PRO A 634 6.229 -7.295 3.097 1.00 52.33 C ATOM 2085 CD PRO A 634 7.069 -6.070 3.158 1.00 30.35 C ATOM 0 HA PRO A 634 4.249 -4.796 2.312 1.00 62.51 H new ATOM 0 HB2 PRO A 634 4.103 -7.487 2.985 1.00 31.04 H new ATOM 0 HB3 PRO A 634 4.853 -6.932 1.501 1.00 31.04 H new ATOM 0 HG2 PRO A 634 6.138 -7.754 4.081 1.00 52.33 H new ATOM 0 HG3 PRO A 634 6.674 -8.040 2.438 1.00 52.33 H new ATOM 0 HD2 PRO A 634 7.781 -6.114 3.982 1.00 30.35 H new ATOM 0 HD3 PRO A 634 7.647 -5.935 2.244 1.00 30.35 H new ATOM 2093 N ILE A 635 2.764 -4.847 4.264 1.00 64.53 N ATOM 2094 CA ILE A 635 1.976 -4.684 5.445 1.00 1.42 C ATOM 2095 C ILE A 635 0.654 -5.396 5.323 1.00 63.43 C ATOM 2096 O ILE A 635 0.284 -5.859 4.232 1.00 4.05 O ATOM 2097 CB ILE A 635 1.831 -3.175 5.871 1.00 45.44 C ATOM 2098 CG1 ILE A 635 1.282 -2.254 4.744 1.00 72.35 C ATOM 2099 CG2 ILE A 635 3.168 -2.641 6.354 1.00 5.05 C ATOM 2100 CD1 ILE A 635 -0.201 -2.368 4.461 1.00 21.41 C ATOM 0 H ILE A 635 2.310 -4.554 3.399 1.00 64.53 H new ATOM 0 HA ILE A 635 2.514 -5.162 6.264 1.00 1.42 H new ATOM 0 HB ILE A 635 1.095 -3.158 6.675 1.00 45.44 H new ATOM 0 HG12 ILE A 635 1.504 -1.220 5.006 1.00 72.35 H new ATOM 0 HG13 ILE A 635 1.826 -2.473 3.825 1.00 72.35 H new ATOM 0 HG21 ILE A 635 3.058 -1.597 6.647 1.00 5.05 H new ATOM 0 HG22 ILE A 635 3.505 -3.225 7.211 1.00 5.05 H new ATOM 0 HG23 ILE A 635 3.902 -2.718 5.552 1.00 5.05 H new ATOM 0 HD11 ILE A 635 -0.472 -1.682 3.659 1.00 21.41 H new ATOM 0 HD12 ILE A 635 -0.437 -3.389 4.160 1.00 21.41 H new ATOM 0 HD13 ILE A 635 -0.763 -2.116 5.360 1.00 21.41 H new ATOM 2112 N LEU A 636 -0.026 -5.524 6.419 1.00 54.04 N ATOM 2113 CA LEU A 636 -1.274 -6.219 6.446 1.00 22.04 C ATOM 2114 C LEU A 636 -2.456 -5.277 6.541 1.00 45.43 C ATOM 2115 O LEU A 636 -2.281 -4.058 6.656 1.00 0.04 O ATOM 2116 CB LEU A 636 -1.285 -7.322 7.530 1.00 22.44 C ATOM 2117 CG LEU A 636 -0.722 -6.994 8.939 1.00 10.42 C ATOM 2118 CD1 LEU A 636 -1.504 -5.905 9.647 1.00 64.21 C ATOM 2119 CD2 LEU A 636 -0.701 -8.244 9.785 1.00 11.02 C ATOM 0 H LEU A 636 0.269 -5.149 7.321 1.00 54.04 H new ATOM 0 HA LEU A 636 -1.384 -6.727 5.488 1.00 22.04 H new ATOM 0 HB2 LEU A 636 -2.317 -7.651 7.656 1.00 22.44 H new ATOM 0 HB3 LEU A 636 -0.725 -8.172 7.141 1.00 22.44 H new ATOM 0 HG LEU A 636 0.291 -6.618 8.799 1.00 10.42 H new ATOM 0 HD11 LEU A 636 -1.064 -5.719 10.627 1.00 64.21 H new ATOM 0 HD12 LEU A 636 -1.471 -4.990 9.055 1.00 64.21 H new ATOM 0 HD13 LEU A 636 -2.540 -6.222 9.769 1.00 64.21 H new ATOM 0 HD21 LEU A 636 -0.305 -8.008 10.773 1.00 11.02 H new ATOM 0 HD22 LEU A 636 -1.714 -8.634 9.884 1.00 11.02 H new ATOM 0 HD23 LEU A 636 -0.069 -8.994 9.310 1.00 11.02 H new ATOM 2131 N GLY A 637 -3.644 -5.843 6.479 1.00 34.05 N ATOM 2132 CA GLY A 637 -4.854 -5.073 6.541 1.00 3.34 C ATOM 2133 C GLY A 637 -5.144 -4.571 7.930 1.00 74.11 C ATOM 2134 O GLY A 637 -4.364 -4.797 8.857 1.00 21.13 O ATOM 0 H GLY A 637 -3.790 -6.848 6.384 1.00 34.05 H new ATOM 0 HA2 GLY A 637 -4.777 -4.225 5.860 1.00 3.34 H new ATOM 0 HA3 GLY A 637 -5.688 -5.684 6.197 1.00 3.34 H new ATOM 2138 N GLU A 638 -6.255 -3.916 8.087 1.00 73.00 N ATOM 2139 CA GLU A 638 -6.652 -3.391 9.370 1.00 42.21 C ATOM 2140 C GLU A 638 -7.014 -4.531 10.317 1.00 42.34 C ATOM 2141 O GLU A 638 -6.651 -4.517 11.495 1.00 4.51 O ATOM 2142 CB GLU A 638 -7.805 -2.412 9.189 1.00 60.33 C ATOM 2143 CG GLU A 638 -8.371 -1.843 10.466 1.00 74.40 C ATOM 2144 CD GLU A 638 -9.410 -0.810 10.188 1.00 2.11 C ATOM 2145 OE1 GLU A 638 -10.528 -1.173 9.761 1.00 11.01 O ATOM 2146 OE2 GLU A 638 -9.116 0.389 10.354 1.00 11.13 O ATOM 0 H GLU A 638 -6.915 -3.728 7.333 1.00 73.00 H new ATOM 0 HA GLU A 638 -5.820 -2.849 9.819 1.00 42.21 H new ATOM 0 HB2 GLU A 638 -7.466 -1.588 8.562 1.00 60.33 H new ATOM 0 HB3 GLU A 638 -8.606 -2.915 8.648 1.00 60.33 H new ATOM 0 HG2 GLU A 638 -8.804 -2.645 11.063 1.00 74.40 H new ATOM 0 HG3 GLU A 638 -7.568 -1.403 11.058 1.00 74.40 H new ATOM 2153 N HIS A 639 -7.681 -5.524 9.787 1.00 42.25 N ATOM 2154 CA HIS A 639 -8.052 -6.688 10.554 1.00 14.42 C ATOM 2155 C HIS A 639 -7.314 -7.902 10.064 1.00 51.24 C ATOM 2156 O HIS A 639 -7.405 -8.262 8.881 1.00 74.24 O ATOM 2157 CB HIS A 639 -9.563 -6.966 10.500 1.00 73.31 C ATOM 2158 CG HIS A 639 -10.425 -6.007 11.260 1.00 34.21 C ATOM 2159 ND1 HIS A 639 -10.874 -6.241 12.540 1.00 4.12 N ATOM 2160 CD2 HIS A 639 -10.964 -4.825 10.886 1.00 40.02 C ATOM 2161 CE1 HIS A 639 -11.656 -5.227 12.900 1.00 21.24 C ATOM 2162 NE2 HIS A 639 -11.750 -4.332 11.928 1.00 70.01 N ATOM 0 H HIS A 639 -7.982 -5.550 8.813 1.00 42.25 H new ATOM 0 HA HIS A 639 -7.780 -6.477 11.588 1.00 14.42 H new ATOM 0 HB2 HIS A 639 -9.878 -6.961 9.457 1.00 73.31 H new ATOM 0 HB3 HIS A 639 -9.743 -7.971 10.883 1.00 73.31 H new ATOM 0 HD2 HIS A 639 -10.811 -4.340 9.933 1.00 40.02 H new ATOM 0 HE1 HIS A 639 -12.149 -5.144 13.857 1.00 21.24 H new ATOM 0 HE2 HIS A 639 -12.285 -3.464 11.939 1.00 70.01 H new ATOM 2170 N THR A 640 -6.572 -8.521 10.944 1.00 13.03 N ATOM 2171 CA THR A 640 -5.904 -9.751 10.646 1.00 21.25 C ATOM 2172 C THR A 640 -6.079 -10.743 11.767 1.00 43.40 C ATOM 2173 O THR A 640 -5.228 -10.901 12.639 1.00 43.04 O ATOM 2174 CB THR A 640 -4.424 -9.581 10.286 1.00 40.43 C ATOM 2175 OG1 THR A 640 -3.752 -8.735 11.242 1.00 55.42 O ATOM 2176 CG2 THR A 640 -4.276 -9.008 8.911 1.00 62.51 C ATOM 0 H THR A 640 -6.416 -8.180 11.893 1.00 13.03 H new ATOM 0 HA THR A 640 -6.383 -10.142 9.748 1.00 21.25 H new ATOM 0 HB THR A 640 -3.963 -10.568 10.310 1.00 40.43 H new ATOM 0 HG1 THR A 640 -3.931 -9.060 12.149 1.00 55.42 H new ATOM 0 HG21 THR A 640 -3.218 -8.896 8.676 1.00 62.51 H new ATOM 0 HG22 THR A 640 -4.740 -9.677 8.186 1.00 62.51 H new ATOM 0 HG23 THR A 640 -4.763 -8.034 8.869 1.00 62.51 H new ATOM 2184 N LYS A 641 -7.199 -11.377 11.750 1.00 11.24 N ATOM 2185 CA LYS A 641 -7.585 -12.291 12.778 1.00 45.43 C ATOM 2186 C LYS A 641 -8.703 -13.126 12.240 1.00 31.41 C ATOM 2187 O LYS A 641 -9.436 -12.685 11.350 1.00 24.31 O ATOM 2188 CB LYS A 641 -8.045 -11.529 14.041 1.00 2.22 C ATOM 2189 CG LYS A 641 -8.461 -12.426 15.210 1.00 72.34 C ATOM 2190 CD LYS A 641 -8.895 -11.656 16.470 1.00 14.14 C ATOM 2191 CE LYS A 641 -10.185 -10.823 16.302 1.00 64.41 C ATOM 2192 NZ LYS A 641 -10.024 -9.590 15.487 1.00 34.25 N ATOM 0 H LYS A 641 -7.890 -11.275 11.007 1.00 11.24 H new ATOM 0 HA LYS A 641 -6.740 -12.917 13.064 1.00 45.43 H new ATOM 0 HB2 LYS A 641 -7.236 -10.877 14.371 1.00 2.22 H new ATOM 0 HB3 LYS A 641 -8.885 -10.887 13.776 1.00 2.22 H new ATOM 0 HG2 LYS A 641 -9.282 -13.067 14.888 1.00 72.34 H new ATOM 0 HG3 LYS A 641 -7.628 -13.080 15.466 1.00 72.34 H new ATOM 0 HD2 LYS A 641 -9.041 -12.368 17.283 1.00 14.14 H new ATOM 0 HD3 LYS A 641 -8.085 -10.991 16.770 1.00 14.14 H new ATOM 0 HE2 LYS A 641 -10.949 -11.450 15.842 1.00 64.41 H new ATOM 0 HE3 LYS A 641 -10.553 -10.545 17.289 1.00 64.41 H new ATOM 0 HZ1 LYS A 641 -10.515 -8.800 15.952 1.00 34.25 H new ATOM 0 HZ2 LYS A 641 -9.013 -9.364 15.396 1.00 34.25 H new ATOM 0 HZ3 LYS A 641 -10.431 -9.743 14.542 1.00 34.25 H new ATOM 2206 N LEU A 642 -8.799 -14.307 12.720 1.00 31.41 N ATOM 2207 CA LEU A 642 -9.814 -15.209 12.330 1.00 54.32 C ATOM 2208 C LEU A 642 -10.391 -15.830 13.563 1.00 51.25 C ATOM 2209 O LEU A 642 -9.653 -16.131 14.501 1.00 63.11 O ATOM 2210 CB LEU A 642 -9.196 -16.298 11.498 1.00 12.24 C ATOM 2211 CG LEU A 642 -10.117 -17.403 11.029 1.00 63.12 C ATOM 2212 CD1 LEU A 642 -11.031 -16.939 9.928 1.00 3.42 C ATOM 2213 CD2 LEU A 642 -9.305 -18.574 10.609 1.00 62.13 C ATOM 0 H LEU A 642 -8.155 -14.685 13.415 1.00 31.41 H new ATOM 0 HA LEU A 642 -10.586 -14.689 11.763 1.00 54.32 H new ATOM 0 HB2 LEU A 642 -8.742 -15.839 10.620 1.00 12.24 H new ATOM 0 HB3 LEU A 642 -8.389 -16.750 12.075 1.00 12.24 H new ATOM 0 HG LEU A 642 -10.761 -17.698 11.858 1.00 63.12 H new ATOM 0 HD11 LEU A 642 -11.676 -17.762 9.620 1.00 3.42 H new ATOM 0 HD12 LEU A 642 -11.644 -16.113 10.288 1.00 3.42 H new ATOM 0 HD13 LEU A 642 -10.436 -16.606 9.078 1.00 3.42 H new ATOM 0 HD21 LEU A 642 -9.966 -19.372 10.270 1.00 62.13 H new ATOM 0 HD22 LEU A 642 -8.641 -18.283 9.795 1.00 62.13 H new ATOM 0 HD23 LEU A 642 -8.712 -18.927 11.453 1.00 62.13 H new ATOM 2225 N GLU A 643 -11.669 -15.993 13.580 1.00 35.34 N ATOM 2226 CA GLU A 643 -12.321 -16.686 14.644 1.00 54.12 C ATOM 2227 C GLU A 643 -12.732 -18.050 14.104 1.00 64.02 C ATOM 2228 O GLU A 643 -13.517 -18.136 13.166 1.00 62.22 O ATOM 2229 CB GLU A 643 -13.536 -15.896 15.117 1.00 34.14 C ATOM 2230 CG GLU A 643 -14.215 -16.483 16.333 1.00 12.05 C ATOM 2231 CD GLU A 643 -15.388 -15.671 16.788 1.00 4.11 C ATOM 2232 OE1 GLU A 643 -15.203 -14.666 17.519 1.00 51.32 O ATOM 2233 OE2 GLU A 643 -16.522 -16.005 16.432 1.00 72.24 O ATOM 0 H GLU A 643 -12.297 -15.649 12.854 1.00 35.34 H new ATOM 0 HA GLU A 643 -11.659 -16.804 15.502 1.00 54.12 H new ATOM 0 HB2 GLU A 643 -13.227 -14.875 15.343 1.00 34.14 H new ATOM 0 HB3 GLU A 643 -14.258 -15.838 14.303 1.00 34.14 H new ATOM 0 HG2 GLU A 643 -14.546 -17.496 16.106 1.00 12.05 H new ATOM 0 HG3 GLU A 643 -13.493 -16.558 17.146 1.00 12.05 H new ATOM 2240 N VAL A 644 -12.158 -19.094 14.625 1.00 2.44 N ATOM 2241 CA VAL A 644 -12.459 -20.429 14.163 1.00 63.12 C ATOM 2242 C VAL A 644 -13.362 -21.101 15.156 1.00 14.41 C ATOM 2243 O VAL A 644 -12.944 -21.407 16.278 1.00 60.43 O ATOM 2244 CB VAL A 644 -11.196 -21.293 14.009 1.00 13.41 C ATOM 2245 CG1 VAL A 644 -11.545 -22.646 13.416 1.00 41.52 C ATOM 2246 CG2 VAL A 644 -10.158 -20.590 13.168 1.00 71.11 C ATOM 0 H VAL A 644 -11.471 -19.052 15.378 1.00 2.44 H new ATOM 0 HA VAL A 644 -12.933 -20.335 13.186 1.00 63.12 H new ATOM 0 HB VAL A 644 -10.771 -21.452 15.000 1.00 13.41 H new ATOM 0 HG11 VAL A 644 -10.639 -23.243 13.314 1.00 41.52 H new ATOM 0 HG12 VAL A 644 -12.247 -23.161 14.072 1.00 41.52 H new ATOM 0 HG13 VAL A 644 -12.000 -22.507 12.435 1.00 41.52 H new ATOM 0 HG21 VAL A 644 -9.275 -21.223 13.075 1.00 71.11 H new ATOM 0 HG22 VAL A 644 -10.567 -20.390 12.178 1.00 71.11 H new ATOM 0 HG23 VAL A 644 -9.881 -19.649 13.643 1.00 71.11 H new ATOM 2256 N ILE A 645 -14.580 -21.304 14.778 1.00 11.04 N ATOM 2257 CA ILE A 645 -15.539 -21.931 15.645 1.00 10.23 C ATOM 2258 C ILE A 645 -15.620 -23.404 15.322 1.00 53.40 C ATOM 2259 O ILE A 645 -15.929 -23.789 14.185 1.00 32.33 O ATOM 2260 CB ILE A 645 -16.937 -21.309 15.491 1.00 31.40 C ATOM 2261 CG1 ILE A 645 -16.851 -19.788 15.661 1.00 31.54 C ATOM 2262 CG2 ILE A 645 -17.903 -21.919 16.533 1.00 4.53 C ATOM 2263 CD1 ILE A 645 -18.089 -19.054 15.211 1.00 32.32 C ATOM 0 H ILE A 645 -14.945 -21.043 13.862 1.00 11.04 H new ATOM 0 HA ILE A 645 -15.208 -21.780 16.673 1.00 10.23 H new ATOM 0 HB ILE A 645 -17.320 -21.527 14.494 1.00 31.40 H new ATOM 0 HG12 ILE A 645 -16.666 -19.559 16.710 1.00 31.54 H new ATOM 0 HG13 ILE A 645 -15.995 -19.417 15.098 1.00 31.54 H new ATOM 0 HG21 ILE A 645 -18.891 -21.473 16.418 1.00 4.53 H new ATOM 0 HG22 ILE A 645 -17.970 -22.996 16.380 1.00 4.53 H new ATOM 0 HG23 ILE A 645 -17.529 -21.718 17.537 1.00 4.53 H new ATOM 0 HD11 ILE A 645 -17.952 -17.983 15.362 1.00 32.32 H new ATOM 0 HD12 ILE A 645 -18.265 -19.251 14.154 1.00 32.32 H new ATOM 0 HD13 ILE A 645 -18.946 -19.396 15.791 1.00 32.32 H new ATOM 2275 N ILE A 646 -15.337 -24.201 16.296 1.00 23.35 N ATOM 2276 CA ILE A 646 -15.413 -25.618 16.177 1.00 51.40 C ATOM 2277 C ILE A 646 -16.743 -26.052 16.735 1.00 71.43 C ATOM 2278 O ILE A 646 -17.017 -25.858 17.928 1.00 44.45 O ATOM 2279 CB ILE A 646 -14.302 -26.349 16.992 1.00 24.44 C ATOM 2280 CG1 ILE A 646 -12.902 -25.854 16.608 1.00 55.33 C ATOM 2281 CG2 ILE A 646 -14.409 -27.860 16.791 1.00 2.21 C ATOM 2282 CD1 ILE A 646 -11.799 -26.444 17.468 1.00 43.43 C ATOM 0 H ILE A 646 -15.040 -23.879 17.217 1.00 23.35 H new ATOM 0 HA ILE A 646 -15.287 -25.875 15.125 1.00 51.40 H new ATOM 0 HB ILE A 646 -14.454 -26.119 18.046 1.00 24.44 H new ATOM 0 HG12 ILE A 646 -12.711 -26.101 15.564 1.00 55.33 H new ATOM 0 HG13 ILE A 646 -12.874 -24.767 16.688 1.00 55.33 H new ATOM 0 HG21 ILE A 646 -13.628 -28.360 17.365 1.00 2.21 H new ATOM 0 HG22 ILE A 646 -15.386 -28.204 17.131 1.00 2.21 H new ATOM 0 HG23 ILE A 646 -14.289 -28.096 15.734 1.00 2.21 H new ATOM 0 HD11 ILE A 646 -10.835 -26.052 17.143 1.00 43.43 H new ATOM 0 HD12 ILE A 646 -11.967 -26.175 18.511 1.00 43.43 H new ATOM 0 HD13 ILE A 646 -11.801 -27.529 17.369 1.00 43.43 H new ATOM 2294 N GLU A 647 -17.567 -26.557 15.891 1.00 40.20 N ATOM 2295 CA GLU A 647 -18.798 -27.141 16.283 1.00 53.10 C ATOM 2296 C GLU A 647 -19.043 -28.252 15.293 1.00 74.32 C ATOM 2297 O GLU A 647 -18.203 -28.471 14.417 1.00 42.52 O ATOM 2298 CB GLU A 647 -19.963 -26.124 16.287 1.00 53.03 C ATOM 2299 CG GLU A 647 -20.426 -25.595 14.940 1.00 34.32 C ATOM 2300 CD GLU A 647 -21.697 -24.787 15.090 1.00 24.43 C ATOM 2301 OE1 GLU A 647 -22.756 -25.373 15.400 1.00 21.35 O ATOM 2302 OE2 GLU A 647 -21.656 -23.548 14.964 1.00 1.44 O ATOM 0 H GLU A 647 -17.401 -26.576 14.885 1.00 40.20 H new ATOM 0 HA GLU A 647 -18.746 -27.508 17.308 1.00 53.10 H new ATOM 0 HB2 GLU A 647 -20.817 -26.590 16.779 1.00 53.03 H new ATOM 0 HB3 GLU A 647 -19.667 -25.273 16.901 1.00 53.03 H new ATOM 0 HG2 GLU A 647 -19.645 -24.975 14.499 1.00 34.32 H new ATOM 0 HG3 GLU A 647 -20.597 -26.427 14.256 1.00 34.32 H new