USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 552 ASN :FLIP amide:sc= -2 F(o=-5.4!,f=-1.9) USER MOD Set 1.2: A 553 LYS NZ :NH3+ -145:sc= 0.0901 (180deg=0.00291) USER MOD Set 2.1: A 487 GLN :FLIP amide:sc= -3.03! C(o=-6.4!,f=-3!) USER MOD Set 2.2: A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 MET CE :methyl -134:sc= -0.0033 (180deg=-0.153) USER MOD Single : A 503 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-0.97) USER MOD Single : A 510 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.9) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= -0.334 USER MOD Single : A 518 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : A 529 SER OG : rot -89:sc= -0.126 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 535 LYS NZ :NH3+ -148:sc= 0.215 (180deg=-0.0083) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.453 K(o=-0.45,f=-2.9!) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 557 MET CE :methyl 144:sc= -0.172 (180deg=-1.21) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.155 -4.183 -4.865 1.00 12.12 N ATOM 29 CA ASP A 482 3.784 -4.208 -6.180 1.00 23.00 C ATOM 30 C ASP A 482 2.791 -4.652 -7.249 1.00 63.34 C ATOM 31 O ASP A 482 2.868 -4.222 -8.400 1.00 51.51 O ATOM 32 CB ASP A 482 4.995 -5.142 -6.171 1.00 65.05 C ATOM 33 CG ASP A 482 6.130 -4.627 -7.035 1.00 0.30 C ATOM 34 OD1 ASP A 482 6.780 -5.449 -7.715 1.00 33.14 O ATOM 35 OD2 ASP A 482 6.368 -3.401 -7.032 1.00 12.11 O ATOM 0 HA ASP A 482 4.116 -3.197 -6.416 1.00 23.00 H new ATOM 0 HB2 ASP A 482 5.348 -5.264 -5.147 1.00 65.05 H new ATOM 0 HB3 ASP A 482 4.692 -6.128 -6.524 1.00 65.05 H new ATOM 40 N VAL A 483 1.860 -5.518 -6.862 1.00 14.43 N ATOM 41 CA VAL A 483 0.851 -6.021 -7.787 1.00 2.32 C ATOM 42 C VAL A 483 -0.539 -5.971 -7.164 1.00 34.31 C ATOM 43 O VAL A 483 -1.517 -5.631 -7.829 1.00 32.53 O ATOM 44 CB VAL A 483 1.157 -7.467 -8.218 1.00 62.25 C ATOM 45 CG1 VAL A 483 1.322 -8.364 -7.001 1.00 74.43 C ATOM 46 CG2 VAL A 483 0.062 -7.992 -9.134 1.00 70.53 C ATOM 0 H VAL A 483 1.783 -5.886 -5.914 1.00 14.43 H new ATOM 0 HA VAL A 483 0.876 -5.375 -8.665 1.00 2.32 H new ATOM 0 HB VAL A 483 2.096 -7.472 -8.772 1.00 62.25 H new ATOM 0 HG11 VAL A 483 1.538 -9.382 -7.326 1.00 74.43 H new ATOM 0 HG12 VAL A 483 2.145 -7.997 -6.387 1.00 74.43 H new ATOM 0 HG13 VAL A 483 0.402 -8.357 -6.416 1.00 74.43 H new ATOM 0 HG21 VAL A 483 0.294 -9.015 -9.429 1.00 70.53 H new ATOM 0 HG22 VAL A 483 -0.892 -7.974 -8.608 1.00 70.53 H new ATOM 0 HG23 VAL A 483 -0.002 -7.364 -10.022 1.00 70.53 H new ATOM 56 N GLY A 484 -0.620 -6.313 -5.881 1.00 50.33 N ATOM 57 CA GLY A 484 -1.895 -6.300 -5.189 1.00 75.31 C ATOM 58 C GLY A 484 -2.256 -7.655 -4.613 1.00 61.55 C ATOM 59 O GLY A 484 -3.434 -7.975 -4.450 1.00 4.42 O ATOM 0 H GLY A 484 0.175 -6.599 -5.309 1.00 50.33 H new ATOM 0 HA2 GLY A 484 -1.861 -5.564 -4.385 1.00 75.31 H new ATOM 0 HA3 GLY A 484 -2.676 -5.982 -5.879 1.00 75.31 H new ATOM 63 N ASP A 485 -1.240 -8.455 -4.307 1.00 75.32 N ATOM 64 CA ASP A 485 -1.456 -9.784 -3.747 1.00 70.41 C ATOM 65 C ASP A 485 -2.389 -9.721 -2.542 1.00 23.34 C ATOM 66 O ASP A 485 -1.980 -9.332 -1.448 1.00 51.42 O ATOM 67 CB ASP A 485 -0.122 -10.413 -3.343 1.00 23.32 C ATOM 68 CG ASP A 485 -0.125 -11.922 -3.490 1.00 21.25 C ATOM 69 OD1 ASP A 485 -1.014 -12.574 -2.903 1.00 13.14 O ATOM 70 OD2 ASP A 485 0.761 -12.451 -4.192 1.00 24.51 O ATOM 0 H ASP A 485 -0.259 -8.206 -4.437 1.00 75.32 H new ATOM 0 HA ASP A 485 -1.923 -10.403 -4.513 1.00 70.41 H new ATOM 0 HB2 ASP A 485 0.675 -9.993 -3.956 1.00 23.32 H new ATOM 0 HB3 ASP A 485 0.101 -10.152 -2.308 1.00 23.32 H new ATOM 75 N MET A 486 -3.644 -10.106 -2.750 1.00 64.30 N ATOM 76 CA MET A 486 -4.634 -10.093 -1.680 1.00 32.41 C ATOM 77 C MET A 486 -5.272 -11.469 -1.513 1.00 2.03 C ATOM 78 O MET A 486 -5.898 -11.988 -2.436 1.00 62.41 O ATOM 79 CB MET A 486 -5.715 -9.049 -1.969 1.00 25.35 C ATOM 80 CG MET A 486 -6.458 -8.585 -0.727 1.00 33.13 C ATOM 81 SD MET A 486 -5.669 -7.172 0.068 1.00 52.12 S ATOM 82 CE MET A 486 -6.125 -5.854 -1.056 1.00 12.43 C ATOM 0 H MET A 486 -3.999 -10.431 -3.649 1.00 64.30 H new ATOM 0 HA MET A 486 -4.126 -9.832 -0.752 1.00 32.41 H new ATOM 0 HB2 MET A 486 -5.256 -8.186 -2.451 1.00 25.35 H new ATOM 0 HB3 MET A 486 -6.432 -9.466 -2.677 1.00 25.35 H new ATOM 0 HG2 MET A 486 -7.480 -8.320 -0.998 1.00 33.13 H new ATOM 0 HG3 MET A 486 -6.520 -9.409 -0.016 1.00 33.13 H new ATOM 0 HE1 MET A 486 -5.250 -5.240 -1.270 1.00 12.43 H new ATOM 0 HE2 MET A 486 -6.504 -6.282 -1.984 1.00 12.43 H new ATOM 0 HE3 MET A 486 -6.898 -5.237 -0.599 1.00 12.43 H new ATOM 92 N GLN A 487 -5.108 -12.053 -0.330 1.00 3.41 N ATOM 93 CA GLN A 487 -5.667 -13.368 -0.044 1.00 30.43 C ATOM 94 C GLN A 487 -5.954 -13.526 1.446 1.00 42.21 C ATOM 95 O GLN A 487 -5.618 -12.654 2.249 1.00 24.51 O ATOM 96 CB GLN A 487 -4.708 -14.466 -0.509 1.00 53.44 C ATOM 97 CG GLN A 487 -4.329 -14.360 -1.978 1.00 13.53 C ATOM 98 CD GLN A 487 -3.378 -15.455 -2.415 1.00 65.34 C ATOM 99 OE1 GLN A 487 -3.924 -16.625 -2.725 1.00 14.33 O flip ATOM 100 NE2 GLN A 487 -2.164 -15.253 -2.475 1.00 23.51 N flip ATOM 0 H GLN A 487 -4.593 -11.636 0.445 1.00 3.41 H new ATOM 0 HA GLN A 487 -6.607 -13.461 -0.589 1.00 30.43 H new ATOM 0 HB2 GLN A 487 -3.802 -14.425 0.095 1.00 53.44 H new ATOM 0 HB3 GLN A 487 -5.167 -15.438 -0.330 1.00 53.44 H new ATOM 0 HG2 GLN A 487 -5.232 -14.404 -2.586 1.00 13.53 H new ATOM 0 HG3 GLN A 487 -3.868 -13.389 -2.161 1.00 13.53 H new ATOM 0 HE21 GLN A 487 -1.786 -14.338 -2.228 1.00 23.51 H new ATOM 0 HE22 GLN A 487 -1.537 -16.000 -2.772 1.00 23.51 H new ATOM 109 N LEU A 488 -6.577 -14.641 1.809 1.00 60.54 N ATOM 110 CA LEU A 488 -6.910 -14.913 3.203 1.00 63.53 C ATOM 111 C LEU A 488 -6.143 -16.127 3.719 1.00 71.03 C ATOM 112 O LEU A 488 -6.397 -17.257 3.302 1.00 61.51 O ATOM 113 CB LEU A 488 -8.414 -15.145 3.353 1.00 53.33 C ATOM 114 CG LEU A 488 -8.951 -15.161 4.784 1.00 34.22 C ATOM 115 CD1 LEU A 488 -8.854 -13.777 5.407 1.00 25.31 C ATOM 116 CD2 LEU A 488 -10.389 -15.659 4.809 1.00 54.44 C ATOM 0 H LEU A 488 -6.862 -15.372 1.157 1.00 60.54 H new ATOM 0 HA LEU A 488 -6.622 -14.045 3.796 1.00 63.53 H new ATOM 0 HB2 LEU A 488 -8.938 -14.367 2.798 1.00 53.33 H new ATOM 0 HB3 LEU A 488 -8.663 -16.096 2.882 1.00 53.33 H new ATOM 0 HG LEU A 488 -8.340 -15.845 5.372 1.00 34.22 H new ATOM 0 HD11 LEU A 488 -9.241 -13.809 6.425 1.00 25.31 H new ATOM 0 HD12 LEU A 488 -7.812 -13.458 5.425 1.00 25.31 H new ATOM 0 HD13 LEU A 488 -9.440 -13.071 4.818 1.00 25.31 H new ATOM 0 HD21 LEU A 488 -10.755 -15.664 5.836 1.00 54.44 H new ATOM 0 HD22 LEU A 488 -11.013 -15.000 4.205 1.00 54.44 H new ATOM 0 HD23 LEU A 488 -10.431 -16.670 4.404 1.00 54.44 H new ATOM 128 N TYR A 489 -5.207 -15.885 4.629 1.00 65.30 N ATOM 129 CA TYR A 489 -4.403 -16.958 5.202 1.00 23.32 C ATOM 130 C TYR A 489 -4.843 -17.265 6.630 1.00 25.05 C ATOM 131 O TYR A 489 -4.669 -16.447 7.534 1.00 31.44 O ATOM 132 CB TYR A 489 -2.921 -16.580 5.183 1.00 2.32 C ATOM 133 CG TYR A 489 -2.487 -15.895 3.907 1.00 52.50 C ATOM 134 CD1 TYR A 489 -2.662 -14.527 3.736 1.00 50.31 C ATOM 135 CD2 TYR A 489 -1.904 -16.615 2.872 1.00 3.30 C ATOM 136 CE1 TYR A 489 -2.268 -13.896 2.571 1.00 31.35 C ATOM 137 CE2 TYR A 489 -1.505 -15.992 1.705 1.00 74.52 C ATOM 138 CZ TYR A 489 -1.690 -14.633 1.559 1.00 22.41 C ATOM 139 OH TYR A 489 -1.296 -14.010 0.397 1.00 23.13 O ATOM 0 H TYR A 489 -4.986 -14.955 4.986 1.00 65.30 H new ATOM 0 HA TYR A 489 -4.551 -17.852 4.595 1.00 23.32 H new ATOM 0 HB2 TYR A 489 -2.711 -15.923 6.027 1.00 2.32 H new ATOM 0 HB3 TYR A 489 -2.323 -17.481 5.323 1.00 2.32 H new ATOM 0 HD1 TYR A 489 -3.114 -13.947 4.527 1.00 50.31 H new ATOM 0 HD2 TYR A 489 -1.760 -17.680 2.981 1.00 3.30 H new ATOM 0 HE1 TYR A 489 -2.412 -12.832 2.454 1.00 31.35 H new ATOM 0 HE2 TYR A 489 -1.051 -16.566 0.911 1.00 74.52 H new ATOM 0 HH TYR A 489 -0.907 -14.671 -0.213 1.00 23.13 H new ATOM 149 N ARG A 490 -5.412 -18.450 6.826 1.00 52.24 N ATOM 150 CA ARG A 490 -5.878 -18.866 8.143 1.00 41.11 C ATOM 151 C ARG A 490 -4.874 -19.807 8.802 1.00 4.44 C ATOM 152 O ARG A 490 -4.418 -20.773 8.190 1.00 53.34 O ATOM 153 CB ARG A 490 -7.240 -19.553 8.032 1.00 30.32 C ATOM 154 CG ARG A 490 -7.192 -20.888 7.306 1.00 44.31 C ATOM 155 CD ARG A 490 -7.184 -22.053 8.282 1.00 33.43 C ATOM 156 NE ARG A 490 -8.535 -22.508 8.602 1.00 2.02 N ATOM 157 CZ ARG A 490 -9.249 -23.304 7.813 1.00 4.54 C ATOM 158 NH1 ARG A 490 -8.743 -23.730 6.665 1.00 60.54 N ATOM 159 NH2 ARG A 490 -10.471 -23.674 8.174 1.00 42.13 N ATOM 0 H ARG A 490 -5.561 -19.139 6.089 1.00 52.24 H new ATOM 0 HA ARG A 490 -5.978 -17.976 8.764 1.00 41.11 H new ATOM 0 HB2 ARG A 490 -7.642 -19.708 9.033 1.00 30.32 H new ATOM 0 HB3 ARG A 490 -7.930 -18.890 7.510 1.00 30.32 H new ATOM 0 HG2 ARG A 490 -8.053 -20.974 6.643 1.00 44.31 H new ATOM 0 HG3 ARG A 490 -6.301 -20.931 6.679 1.00 44.31 H new ATOM 0 HD2 ARG A 490 -6.615 -22.879 7.856 1.00 33.43 H new ATOM 0 HD3 ARG A 490 -6.675 -21.755 9.199 1.00 33.43 H new ATOM 0 HE ARG A 490 -8.953 -22.198 9.479 1.00 2.02 H new ATOM 0 HH11 ARG A 490 -7.804 -23.447 6.385 1.00 60.54 H new ATOM 0 HH12 ARG A 490 -9.293 -24.341 6.061 1.00 60.54 H new ATOM 0 HH21 ARG A 490 -10.863 -23.347 9.057 1.00 42.13 H new ATOM 0 HH22 ARG A 490 -11.019 -24.285 7.568 1.00 42.13 H new ATOM 173 N ILE A 491 -4.533 -19.517 10.054 1.00 42.24 N ATOM 174 CA ILE A 491 -3.583 -20.337 10.796 1.00 53.14 C ATOM 175 C ILE A 491 -4.298 -21.225 11.808 1.00 30.31 C ATOM 176 O ILE A 491 -5.472 -21.017 12.110 1.00 34.25 O ATOM 177 CB ILE A 491 -2.546 -19.469 11.533 1.00 61.53 C ATOM 178 CG1 ILE A 491 -3.213 -18.695 12.672 1.00 60.54 C ATOM 179 CG2 ILE A 491 -1.868 -18.514 10.562 1.00 72.44 C ATOM 180 CD1 ILE A 491 -2.256 -17.817 13.446 1.00 12.35 C ATOM 0 H ILE A 491 -4.900 -18.721 10.575 1.00 42.24 H new ATOM 0 HA ILE A 491 -3.068 -20.963 10.067 1.00 53.14 H new ATOM 0 HB ILE A 491 -1.785 -20.122 11.960 1.00 61.53 H new ATOM 0 HG12 ILE A 491 -4.011 -18.076 12.262 1.00 60.54 H new ATOM 0 HG13 ILE A 491 -3.679 -19.403 13.357 1.00 60.54 H new ATOM 0 HG21 ILE A 491 -1.138 -17.908 11.098 1.00 72.44 H new ATOM 0 HG22 ILE A 491 -1.363 -19.085 9.783 1.00 72.44 H new ATOM 0 HG23 ILE A 491 -2.616 -17.864 10.108 1.00 72.44 H new ATOM 0 HD11 ILE A 491 -2.797 -17.298 14.237 1.00 12.35 H new ATOM 0 HD12 ILE A 491 -1.472 -18.433 13.886 1.00 12.35 H new ATOM 0 HD13 ILE A 491 -1.808 -17.086 12.773 1.00 12.35 H new ATOM 192 N GLU A 492 -3.580 -22.215 12.330 1.00 60.24 N ATOM 193 CA GLU A 492 -4.146 -23.135 13.309 1.00 12.35 C ATOM 194 C GLU A 492 -3.811 -22.690 14.730 1.00 0.02 C ATOM 195 O GLU A 492 -3.311 -23.475 15.537 1.00 54.52 O ATOM 196 CB GLU A 492 -3.625 -24.553 13.071 1.00 31.51 C ATOM 197 CG GLU A 492 -4.370 -25.616 13.861 1.00 31.31 C ATOM 198 CD GLU A 492 -3.543 -26.869 14.078 1.00 54.13 C ATOM 199 OE1 GLU A 492 -4.138 -27.936 14.337 1.00 53.34 O ATOM 200 OE2 GLU A 492 -2.301 -26.782 13.988 1.00 43.43 O ATOM 0 H GLU A 492 -2.606 -22.400 12.091 1.00 60.24 H new ATOM 0 HA GLU A 492 -5.230 -23.130 13.190 1.00 12.35 H new ATOM 0 HB2 GLU A 492 -3.698 -24.784 12.008 1.00 31.51 H new ATOM 0 HB3 GLU A 492 -2.568 -24.591 13.334 1.00 31.51 H new ATOM 0 HG2 GLU A 492 -4.663 -25.206 14.828 1.00 31.31 H new ATOM 0 HG3 GLU A 492 -5.288 -25.878 13.335 1.00 31.31 H new ATOM 207 N VAL A 493 -4.089 -21.425 15.029 1.00 0.12 N ATOM 208 CA VAL A 493 -3.818 -20.875 16.352 1.00 40.41 C ATOM 209 C VAL A 493 -4.910 -19.898 16.775 1.00 24.10 C ATOM 210 O VAL A 493 -5.416 -19.126 15.962 1.00 44.10 O ATOM 211 CB VAL A 493 -2.457 -20.155 16.392 1.00 2.12 C ATOM 212 CG1 VAL A 493 -2.030 -19.900 17.830 1.00 64.33 C ATOM 213 CG2 VAL A 493 -1.404 -20.965 15.650 1.00 53.40 C ATOM 0 H VAL A 493 -4.502 -20.762 14.373 1.00 0.12 H new ATOM 0 HA VAL A 493 -3.797 -21.715 17.046 1.00 40.41 H new ATOM 0 HB VAL A 493 -2.560 -19.192 15.893 1.00 2.12 H new ATOM 0 HG11 VAL A 493 -1.066 -19.391 17.839 1.00 64.33 H new ATOM 0 HG12 VAL A 493 -2.774 -19.277 18.325 1.00 64.33 H new ATOM 0 HG13 VAL A 493 -1.943 -20.850 18.358 1.00 64.33 H new ATOM 0 HG21 VAL A 493 -0.449 -20.442 15.688 1.00 53.40 H new ATOM 0 HG22 VAL A 493 -1.301 -21.944 16.119 1.00 53.40 H new ATOM 0 HG23 VAL A 493 -1.707 -21.091 14.611 1.00 53.40 H new ATOM 223 N GLY A 494 -5.268 -19.938 18.055 1.00 52.12 N ATOM 224 CA GLY A 494 -6.298 -19.051 18.565 1.00 63.34 C ATOM 225 C GLY A 494 -6.104 -18.721 20.031 1.00 35.24 C ATOM 226 O GLY A 494 -5.061 -19.024 20.610 1.00 1.43 O ATOM 0 H GLY A 494 -4.864 -20.568 18.748 1.00 52.12 H new ATOM 0 HA2 GLY A 494 -6.298 -18.128 17.985 1.00 63.34 H new ATOM 0 HA3 GLY A 494 -7.274 -19.515 18.426 1.00 63.34 H new ATOM 230 N ARG A 495 -7.112 -18.098 20.634 1.00 42.23 N ATOM 231 CA ARG A 495 -7.047 -17.724 22.041 1.00 5.33 C ATOM 232 C ARG A 495 -6.746 -18.939 22.914 1.00 72.14 C ATOM 233 O ARG A 495 -6.029 -18.839 23.909 1.00 20.22 O ATOM 234 CB ARG A 495 -8.362 -17.079 22.481 1.00 35.53 C ATOM 235 CG ARG A 495 -9.595 -17.864 22.061 1.00 41.50 C ATOM 236 CD ARG A 495 -10.844 -17.358 22.766 1.00 40.14 C ATOM 237 NE ARG A 495 -10.699 -17.378 24.219 1.00 44.44 N ATOM 238 CZ ARG A 495 -10.768 -18.485 24.949 1.00 2.12 C ATOM 239 NH1 ARG A 495 -10.979 -19.656 24.365 1.00 24.31 N ATOM 240 NH2 ARG A 495 -10.625 -18.422 26.267 1.00 54.31 N ATOM 0 H ARG A 495 -7.983 -17.842 20.169 1.00 42.23 H new ATOM 0 HA ARG A 495 -6.239 -17.003 22.162 1.00 5.33 H new ATOM 0 HB2 ARG A 495 -8.360 -16.974 23.566 1.00 35.53 H new ATOM 0 HB3 ARG A 495 -8.422 -16.074 22.064 1.00 35.53 H new ATOM 0 HG2 ARG A 495 -9.728 -17.785 20.982 1.00 41.50 H new ATOM 0 HG3 ARG A 495 -9.450 -18.920 22.288 1.00 41.50 H new ATOM 0 HD2 ARG A 495 -11.059 -16.341 22.437 1.00 40.14 H new ATOM 0 HD3 ARG A 495 -11.697 -17.973 22.478 1.00 40.14 H new ATOM 0 HE ARG A 495 -10.536 -16.493 24.699 1.00 44.44 H new ATOM 0 HH11 ARG A 495 -11.089 -19.708 23.352 1.00 24.31 H new ATOM 0 HH12 ARG A 495 -11.032 -20.505 24.928 1.00 24.31 H new ATOM 0 HH21 ARG A 495 -10.462 -17.523 26.720 1.00 54.31 H new ATOM 0 HH22 ARG A 495 -10.678 -19.273 26.827 1.00 54.31 H new ATOM 254 N ASP A 496 -7.300 -20.085 22.533 1.00 61.10 N ATOM 255 CA ASP A 496 -7.091 -21.320 23.280 1.00 72.23 C ATOM 256 C ASP A 496 -5.658 -21.817 23.119 1.00 42.13 C ATOM 257 O ASP A 496 -5.184 -22.639 23.903 1.00 65.23 O ATOM 258 CB ASP A 496 -8.072 -22.396 22.812 1.00 74.11 C ATOM 259 CG ASP A 496 -8.355 -23.428 23.886 1.00 62.54 C ATOM 260 OD1 ASP A 496 -7.938 -23.210 25.042 1.00 33.12 O ATOM 261 OD2 ASP A 496 -8.992 -24.455 23.569 1.00 24.31 O ATOM 0 H ASP A 496 -7.897 -20.184 21.712 1.00 61.10 H new ATOM 0 HA ASP A 496 -7.268 -21.111 24.335 1.00 72.23 H new ATOM 0 HB2 ASP A 496 -9.007 -21.924 22.510 1.00 74.11 H new ATOM 0 HB3 ASP A 496 -7.667 -22.894 21.931 1.00 74.11 H new ATOM 266 N ASP A 497 -4.974 -21.313 22.097 1.00 22.15 N ATOM 267 CA ASP A 497 -3.594 -21.705 21.833 1.00 33.33 C ATOM 268 C ASP A 497 -2.618 -20.716 22.462 1.00 31.11 C ATOM 269 O ASP A 497 -1.588 -21.107 23.010 1.00 74.51 O ATOM 270 CB ASP A 497 -3.347 -21.797 20.327 1.00 53.13 C ATOM 271 CG ASP A 497 -2.079 -22.558 19.993 1.00 12.11 C ATOM 272 OD1 ASP A 497 -1.012 -22.201 20.536 1.00 53.43 O ATOM 273 OD2 ASP A 497 -2.154 -23.511 19.190 1.00 24.12 O ATOM 0 H ASP A 497 -5.353 -20.632 21.438 1.00 22.15 H new ATOM 0 HA ASP A 497 -3.429 -22.685 22.281 1.00 33.33 H new ATOM 0 HB2 ASP A 497 -4.197 -22.287 19.852 1.00 53.13 H new ATOM 0 HB3 ASP A 497 -3.284 -20.792 19.910 1.00 53.13 H new ATOM 278 N GLY A 498 -2.949 -19.431 22.378 1.00 10.11 N ATOM 279 CA GLY A 498 -2.091 -18.405 22.942 1.00 62.52 C ATOM 280 C GLY A 498 -1.869 -17.247 21.990 1.00 55.21 C ATOM 281 O GLY A 498 -0.789 -16.658 21.957 1.00 24.41 O ATOM 0 H GLY A 498 -3.796 -19.082 21.929 1.00 10.11 H new ATOM 0 HA2 GLY A 498 -2.534 -18.032 23.865 1.00 62.52 H new ATOM 0 HA3 GLY A 498 -1.129 -18.845 23.205 1.00 62.52 H new ATOM 285 N VAL A 499 -2.896 -16.918 21.211 1.00 25.41 N ATOM 286 CA VAL A 499 -2.808 -15.823 20.253 1.00 12.21 C ATOM 287 C VAL A 499 -4.068 -14.964 20.284 1.00 63.33 C ATOM 288 O VAL A 499 -5.158 -15.456 20.574 1.00 41.53 O ATOM 289 CB VAL A 499 -2.591 -16.346 18.821 1.00 52.33 C ATOM 290 CG1 VAL A 499 -3.898 -16.860 18.236 1.00 11.40 C ATOM 291 CG2 VAL A 499 -1.996 -15.257 17.941 1.00 43.10 C ATOM 0 H VAL A 499 -3.798 -17.395 21.225 1.00 25.41 H new ATOM 0 HA VAL A 499 -1.950 -15.216 20.543 1.00 12.21 H new ATOM 0 HB VAL A 499 -1.886 -17.177 18.859 1.00 52.33 H new ATOM 0 HG11 VAL A 499 -3.725 -17.225 17.224 1.00 11.40 H new ATOM 0 HG12 VAL A 499 -4.279 -17.672 18.855 1.00 11.40 H new ATOM 0 HG13 VAL A 499 -4.628 -16.051 18.210 1.00 11.40 H new ATOM 0 HG21 VAL A 499 -1.849 -15.644 16.933 1.00 43.10 H new ATOM 0 HG22 VAL A 499 -2.675 -14.405 17.908 1.00 43.10 H new ATOM 0 HG23 VAL A 499 -1.037 -14.941 18.352 1.00 43.10 H new ATOM 301 N GLU A 500 -3.909 -13.679 19.982 1.00 20.40 N ATOM 302 CA GLU A 500 -5.034 -12.752 19.975 1.00 35.35 C ATOM 303 C GLU A 500 -5.107 -11.995 18.653 1.00 55.50 C ATOM 304 O GLU A 500 -4.361 -12.283 17.717 1.00 12.23 O ATOM 305 CB GLU A 500 -4.916 -11.763 21.137 1.00 62.12 C ATOM 306 CG GLU A 500 -4.458 -12.403 22.437 1.00 44.33 C ATOM 307 CD GLU A 500 -5.357 -13.542 22.875 1.00 11.02 C ATOM 308 OE1 GLU A 500 -6.552 -13.529 22.512 1.00 3.01 O ATOM 309 OE2 GLU A 500 -4.865 -14.447 23.582 1.00 55.03 O ATOM 0 H GLU A 500 -3.013 -13.257 19.739 1.00 20.40 H new ATOM 0 HA GLU A 500 -5.950 -13.331 20.092 1.00 35.35 H new ATOM 0 HB2 GLU A 500 -4.214 -10.975 20.863 1.00 62.12 H new ATOM 0 HB3 GLU A 500 -5.883 -11.287 21.297 1.00 62.12 H new ATOM 0 HG2 GLU A 500 -3.440 -12.774 22.316 1.00 44.33 H new ATOM 0 HG3 GLU A 500 -4.430 -11.646 23.220 1.00 44.33 H new ATOM 316 N VAL A 501 -6.013 -11.024 18.583 1.00 10.11 N ATOM 317 CA VAL A 501 -6.184 -10.224 17.376 1.00 13.44 C ATOM 318 C VAL A 501 -5.072 -9.190 17.240 1.00 61.22 C ATOM 319 O VAL A 501 -4.661 -8.848 16.131 1.00 55.13 O ATOM 320 CB VAL A 501 -7.545 -9.501 17.370 1.00 23.34 C ATOM 321 CG1 VAL A 501 -7.682 -8.630 16.131 1.00 64.42 C ATOM 322 CG2 VAL A 501 -8.682 -10.508 17.453 1.00 13.22 C ATOM 0 H VAL A 501 -6.639 -10.773 19.348 1.00 10.11 H new ATOM 0 HA VAL A 501 -6.142 -10.912 16.532 1.00 13.44 H new ATOM 0 HB VAL A 501 -7.598 -8.854 18.246 1.00 23.34 H new ATOM 0 HG11 VAL A 501 -8.649 -8.128 16.145 1.00 64.42 H new ATOM 0 HG12 VAL A 501 -6.886 -7.885 16.120 1.00 64.42 H new ATOM 0 HG13 VAL A 501 -7.609 -9.252 15.239 1.00 64.42 H new ATOM 0 HG21 VAL A 501 -9.636 -9.981 17.448 1.00 13.22 H new ATOM 0 HG22 VAL A 501 -8.635 -11.181 16.597 1.00 13.22 H new ATOM 0 HG23 VAL A 501 -8.591 -11.084 18.374 1.00 13.22 H new ATOM 332 N ARG A 502 -4.587 -8.697 18.375 1.00 55.22 N ATOM 333 CA ARG A 502 -3.522 -7.701 18.382 1.00 33.41 C ATOM 334 C ARG A 502 -2.152 -8.372 18.377 1.00 4.21 C ATOM 335 O ARG A 502 -1.120 -7.700 18.351 1.00 51.45 O ATOM 336 CB ARG A 502 -3.653 -6.793 19.606 1.00 40.43 C ATOM 337 CG ARG A 502 -3.690 -7.548 20.924 1.00 12.12 C ATOM 338 CD ARG A 502 -3.404 -6.629 22.101 1.00 5.41 C ATOM 339 NE ARG A 502 -1.983 -6.596 22.437 1.00 64.30 N ATOM 340 CZ ARG A 502 -1.422 -5.641 23.171 1.00 74.22 C ATOM 341 NH1 ARG A 502 -2.159 -4.645 23.643 1.00 34.54 N ATOM 342 NH2 ARG A 502 -0.122 -5.681 23.434 1.00 74.23 N ATOM 0 H ARG A 502 -4.914 -8.971 19.301 1.00 55.22 H new ATOM 0 HA ARG A 502 -3.616 -7.098 17.479 1.00 33.41 H new ATOM 0 HB2 ARG A 502 -2.816 -6.095 19.621 1.00 40.43 H new ATOM 0 HB3 ARG A 502 -4.562 -6.199 19.512 1.00 40.43 H new ATOM 0 HG2 ARG A 502 -4.668 -8.011 21.052 1.00 12.12 H new ATOM 0 HG3 ARG A 502 -2.956 -8.354 20.904 1.00 12.12 H new ATOM 0 HD2 ARG A 502 -3.744 -5.621 21.865 1.00 5.41 H new ATOM 0 HD3 ARG A 502 -3.974 -6.963 22.968 1.00 5.41 H new ATOM 0 HE ARG A 502 -1.388 -7.348 22.089 1.00 64.30 H new ATOM 0 HH11 ARG A 502 -3.159 -4.611 23.443 1.00 34.54 H new ATOM 0 HH12 ARG A 502 -1.726 -3.913 24.206 1.00 34.54 H new ATOM 0 HH21 ARG A 502 0.448 -6.446 23.073 1.00 74.23 H new ATOM 0 HH22 ARG A 502 0.307 -4.947 23.998 1.00 74.23 H new ATOM 356 N HIS A 503 -2.148 -9.701 18.403 1.00 14.24 N ATOM 357 CA HIS A 503 -0.904 -10.462 18.402 1.00 75.52 C ATOM 358 C HIS A 503 -0.380 -10.644 16.981 1.00 53.15 C ATOM 359 O HIS A 503 0.745 -10.252 16.669 1.00 32.11 O ATOM 360 CB HIS A 503 -1.117 -11.827 19.058 1.00 63.23 C ATOM 361 CG HIS A 503 0.105 -12.360 19.740 1.00 22.14 C ATOM 362 ND1 HIS A 503 0.056 -13.312 20.737 1.00 72.23 N ATOM 363 CD2 HIS A 503 1.416 -12.070 19.564 1.00 75.00 C ATOM 364 CE1 HIS A 503 1.283 -13.583 21.145 1.00 73.43 C ATOM 365 NE2 HIS A 503 2.126 -12.843 20.449 1.00 65.25 N ATOM 0 H HIS A 503 -2.992 -10.273 18.425 1.00 14.24 H new ATOM 0 HA HIS A 503 -0.164 -9.903 18.975 1.00 75.52 H new ATOM 0 HB2 HIS A 503 -1.925 -11.749 19.786 1.00 63.23 H new ATOM 0 HB3 HIS A 503 -1.440 -12.540 18.299 1.00 63.23 H new ATOM 0 HD2 HIS A 503 1.827 -11.362 18.859 1.00 75.00 H new ATOM 0 HE1 HIS A 503 1.551 -14.290 21.917 1.00 73.43 H new ATOM 0 HE2 HIS A 503 3.141 -12.845 20.552 1.00 65.25 H new ATOM 373 N ILE A 504 -1.202 -11.240 16.124 1.00 72.24 N ATOM 374 CA ILE A 504 -0.821 -11.473 14.736 1.00 0.21 C ATOM 375 C ILE A 504 -0.783 -10.167 13.950 1.00 4.42 C ATOM 376 O ILE A 504 -0.071 -10.050 12.952 1.00 32.52 O ATOM 377 CB ILE A 504 -1.790 -12.448 14.042 1.00 62.20 C ATOM 378 CG1 ILE A 504 -3.086 -11.730 13.661 1.00 1.44 C ATOM 379 CG2 ILE A 504 -2.082 -13.637 14.946 1.00 55.35 C ATOM 380 CD1 ILE A 504 -3.953 -11.377 14.850 1.00 44.22 C ATOM 0 H ILE A 504 -2.136 -11.570 16.366 1.00 72.24 H new ATOM 0 HA ILE A 504 0.176 -11.914 14.752 1.00 0.21 H new ATOM 0 HB ILE A 504 -1.320 -12.816 13.130 1.00 62.20 H new ATOM 0 HG12 ILE A 504 -2.840 -10.818 13.117 1.00 1.44 H new ATOM 0 HG13 ILE A 504 -3.656 -12.363 12.981 1.00 1.44 H new ATOM 0 HG21 ILE A 504 -2.768 -14.317 14.442 1.00 55.35 H new ATOM 0 HG22 ILE A 504 -1.152 -14.160 15.171 1.00 55.35 H new ATOM 0 HG23 ILE A 504 -2.535 -13.286 15.873 1.00 55.35 H new ATOM 0 HD11 ILE A 504 -4.855 -10.870 14.505 1.00 44.22 H new ATOM 0 HD12 ILE A 504 -4.229 -12.287 15.382 1.00 44.22 H new ATOM 0 HD13 ILE A 504 -3.401 -10.718 15.520 1.00 44.22 H new ATOM 392 N VAL A 505 -1.552 -9.184 14.408 1.00 1.11 N ATOM 393 CA VAL A 505 -1.604 -7.884 13.750 1.00 11.10 C ATOM 394 C VAL A 505 -0.404 -7.026 14.133 1.00 41.50 C ATOM 395 O VAL A 505 0.368 -6.601 13.274 1.00 24.25 O ATOM 396 CB VAL A 505 -2.897 -7.127 14.105 1.00 14.54 C ATOM 397 CG1 VAL A 505 -2.823 -5.686 13.622 1.00 22.20 C ATOM 398 CG2 VAL A 505 -4.108 -7.834 13.515 1.00 42.31 C ATOM 0 H VAL A 505 -2.148 -9.263 15.232 1.00 1.11 H new ATOM 0 HA VAL A 505 -1.585 -8.071 12.676 1.00 11.10 H new ATOM 0 HB VAL A 505 -3.004 -7.116 15.190 1.00 14.54 H new ATOM 0 HG11 VAL A 505 -3.746 -5.167 13.882 1.00 22.20 H new ATOM 0 HG12 VAL A 505 -1.979 -5.186 14.097 1.00 22.20 H new ATOM 0 HG13 VAL A 505 -2.691 -5.671 12.540 1.00 22.20 H new ATOM 0 HG21 VAL A 505 -5.013 -7.285 13.776 1.00 42.31 H new ATOM 0 HG22 VAL A 505 -4.011 -7.878 12.430 1.00 42.31 H new ATOM 0 HG23 VAL A 505 -4.169 -8.846 13.915 1.00 42.31 H new ATOM 408 N GLY A 506 -0.253 -6.774 15.430 1.00 41.52 N ATOM 409 CA GLY A 506 0.856 -5.967 15.905 1.00 42.15 C ATOM 410 C GLY A 506 2.202 -6.556 15.533 1.00 25.44 C ATOM 411 O GLY A 506 3.212 -5.852 15.513 1.00 35.32 O ATOM 0 H GLY A 506 -0.879 -7.114 16.160 1.00 41.52 H new ATOM 0 HA2 GLY A 506 0.775 -4.963 15.489 1.00 42.15 H new ATOM 0 HA3 GLY A 506 0.792 -5.869 16.989 1.00 42.15 H new ATOM 415 N ALA A 507 2.219 -7.853 15.240 1.00 14.44 N ATOM 416 CA ALA A 507 3.451 -8.536 14.868 1.00 31.30 C ATOM 417 C ALA A 507 3.839 -8.222 13.427 1.00 31.51 C ATOM 418 O ALA A 507 4.910 -7.673 13.169 1.00 41.23 O ATOM 419 CB ALA A 507 3.300 -10.038 15.061 1.00 3.00 C ATOM 0 H ALA A 507 1.393 -8.451 15.253 1.00 14.44 H new ATOM 0 HA ALA A 507 4.248 -8.175 15.518 1.00 31.30 H new ATOM 0 HB1 ALA A 507 4.228 -10.536 14.779 1.00 3.00 H new ATOM 0 HB2 ALA A 507 3.077 -10.250 16.107 1.00 3.00 H new ATOM 0 HB3 ALA A 507 2.487 -10.405 14.435 1.00 3.00 H new ATOM 425 N ILE A 508 2.962 -8.576 12.493 1.00 45.40 N ATOM 426 CA ILE A 508 3.214 -8.331 11.078 1.00 3.23 C ATOM 427 C ILE A 508 3.234 -6.837 10.774 1.00 53.22 C ATOM 428 O ILE A 508 3.954 -6.383 9.885 1.00 74.53 O ATOM 429 CB ILE A 508 2.154 -9.010 10.192 1.00 72.21 C ATOM 430 CG1 ILE A 508 0.770 -8.419 10.471 1.00 62.43 C ATOM 431 CG2 ILE A 508 2.151 -10.513 10.427 1.00 61.31 C ATOM 432 CD1 ILE A 508 0.411 -7.265 9.561 1.00 64.41 C ATOM 0 H ILE A 508 2.072 -9.033 12.690 1.00 45.40 H new ATOM 0 HA ILE A 508 4.191 -8.758 10.853 1.00 3.23 H new ATOM 0 HB ILE A 508 2.403 -8.826 9.147 1.00 72.21 H new ATOM 0 HG12 ILE A 508 0.021 -9.203 10.363 1.00 62.43 H new ATOM 0 HG13 ILE A 508 0.730 -8.081 11.506 1.00 62.43 H new ATOM 0 HG21 ILE A 508 1.396 -10.979 9.793 1.00 61.31 H new ATOM 0 HG22 ILE A 508 3.132 -10.921 10.183 1.00 61.31 H new ATOM 0 HG23 ILE A 508 1.923 -10.717 11.473 1.00 61.31 H new ATOM 0 HD11 ILE A 508 -0.583 -6.896 9.816 1.00 64.41 H new ATOM 0 HD12 ILE A 508 1.139 -6.463 9.686 1.00 64.41 H new ATOM 0 HD13 ILE A 508 0.418 -7.603 8.525 1.00 64.41 H new ATOM 444 N ALA A 509 2.439 -6.076 11.520 1.00 70.15 N ATOM 445 CA ALA A 509 2.368 -4.632 11.332 1.00 34.43 C ATOM 446 C ALA A 509 3.640 -3.951 11.825 1.00 71.31 C ATOM 447 O ALA A 509 4.074 -2.946 11.264 1.00 13.14 O ATOM 448 CB ALA A 509 1.152 -4.066 12.051 1.00 74.53 C ATOM 0 H ALA A 509 1.836 -6.435 12.260 1.00 70.15 H new ATOM 0 HA ALA A 509 2.271 -4.434 10.265 1.00 34.43 H new ATOM 0 HB1 ALA A 509 1.111 -2.987 11.902 1.00 74.53 H new ATOM 0 HB2 ALA A 509 0.247 -4.522 11.650 1.00 74.53 H new ATOM 0 HB3 ALA A 509 1.226 -4.283 13.117 1.00 74.53 H new ATOM 454 N ASN A 510 4.233 -4.506 12.877 1.00 0.12 N ATOM 455 CA ASN A 510 5.456 -3.950 13.446 1.00 34.42 C ATOM 456 C ASN A 510 6.687 -4.648 12.876 1.00 32.21 C ATOM 457 O ASN A 510 7.812 -4.389 13.302 1.00 34.03 O ATOM 458 CB ASN A 510 5.440 -4.084 14.970 1.00 10.33 C ATOM 459 CG ASN A 510 6.403 -3.125 15.644 1.00 35.24 C ATOM 460 OD1 ASN A 510 7.153 -2.411 14.979 1.00 30.30 O ATOM 461 ND2 ASN A 510 6.385 -3.106 16.972 1.00 10.51 N ATOM 0 H ASN A 510 3.887 -5.339 13.353 1.00 0.12 H new ATOM 0 HA ASN A 510 5.504 -2.894 13.181 1.00 34.42 H new ATOM 0 HB2 ASN A 510 4.431 -3.900 15.338 1.00 10.33 H new ATOM 0 HB3 ASN A 510 5.698 -5.107 15.245 1.00 10.33 H new ATOM 0 HD21 ASN A 510 7.010 -2.482 17.482 1.00 10.51 H new ATOM 0 HD22 ASN A 510 5.746 -3.716 17.482 1.00 10.51 H new ATOM 468 N GLU A 511 6.464 -5.534 11.910 1.00 42.32 N ATOM 469 CA GLU A 511 7.556 -6.269 11.282 1.00 51.42 C ATOM 470 C GLU A 511 8.039 -5.555 10.022 1.00 14.14 C ATOM 471 O GLU A 511 9.236 -5.509 9.742 1.00 75.13 O ATOM 472 CB GLU A 511 7.110 -7.691 10.936 1.00 23.01 C ATOM 473 CG GLU A 511 7.374 -8.697 12.044 1.00 73.44 C ATOM 474 CD GLU A 511 8.818 -9.158 12.082 1.00 10.10 C ATOM 475 OE1 GLU A 511 9.111 -10.240 11.532 1.00 2.21 O ATOM 476 OE2 GLU A 511 9.655 -8.435 12.662 1.00 21.24 O ATOM 0 H GLU A 511 5.538 -5.760 11.546 1.00 42.32 H new ATOM 0 HA GLU A 511 8.383 -6.317 11.991 1.00 51.42 H new ATOM 0 HB2 GLU A 511 6.044 -7.684 10.710 1.00 23.01 H new ATOM 0 HB3 GLU A 511 7.626 -8.015 10.032 1.00 23.01 H new ATOM 0 HG2 GLU A 511 7.114 -8.251 13.004 1.00 73.44 H new ATOM 0 HG3 GLU A 511 6.724 -9.561 11.907 1.00 73.44 H new ATOM 483 N GLY A 512 7.097 -4.999 9.266 1.00 14.02 N ATOM 484 CA GLY A 512 7.444 -4.296 8.045 1.00 5.44 C ATOM 485 C GLY A 512 6.774 -2.940 7.946 1.00 13.12 C ATOM 486 O GLY A 512 6.895 -2.112 8.849 1.00 24.02 O ATOM 0 H GLY A 512 6.099 -5.023 9.478 1.00 14.02 H new ATOM 0 HA2 GLY A 512 8.525 -4.168 7.998 1.00 5.44 H new ATOM 0 HA3 GLY A 512 7.158 -4.903 7.186 1.00 5.44 H new ATOM 490 N ASP A 513 6.065 -2.711 6.846 1.00 64.41 N ATOM 491 CA ASP A 513 5.373 -1.446 6.631 1.00 1.03 C ATOM 492 C ASP A 513 3.896 -1.566 6.995 1.00 44.11 C ATOM 493 O ASP A 513 3.268 -0.591 7.410 1.00 62.45 O ATOM 494 CB ASP A 513 5.518 -1.001 5.175 1.00 20.41 C ATOM 495 CG ASP A 513 5.226 -2.122 4.196 1.00 44.50 C ATOM 496 OD1 ASP A 513 6.187 -2.776 3.739 1.00 3.11 O ATOM 497 OD2 ASP A 513 4.037 -2.344 3.887 1.00 23.52 O ATOM 0 H ASP A 513 5.955 -3.386 6.089 1.00 64.41 H new ATOM 0 HA ASP A 513 5.829 -0.697 7.278 1.00 1.03 H new ATOM 0 HB2 ASP A 513 4.841 -0.169 4.983 1.00 20.41 H new ATOM 0 HB3 ASP A 513 6.530 -0.632 5.010 1.00 20.41 H new ATOM 502 N ILE A 514 3.349 -2.766 6.836 1.00 72.04 N ATOM 503 CA ILE A 514 1.946 -3.013 7.147 1.00 4.42 C ATOM 504 C ILE A 514 1.563 -2.392 8.487 1.00 65.44 C ATOM 505 O ILE A 514 2.377 -2.330 9.409 1.00 74.24 O ATOM 506 CB ILE A 514 1.635 -4.520 7.185 1.00 73.44 C ATOM 507 CG1 ILE A 514 2.026 -5.177 5.859 1.00 35.21 C ATOM 508 CG2 ILE A 514 0.160 -4.749 7.481 1.00 61.21 C ATOM 509 CD1 ILE A 514 2.613 -6.562 6.021 1.00 44.41 C ATOM 0 H ILE A 514 3.855 -3.583 6.494 1.00 72.04 H new ATOM 0 HA ILE A 514 1.360 -2.550 6.353 1.00 4.42 H new ATOM 0 HB ILE A 514 2.221 -4.977 7.982 1.00 73.44 H new ATOM 0 HG12 ILE A 514 1.146 -5.237 5.219 1.00 35.21 H new ATOM 0 HG13 ILE A 514 2.749 -4.542 5.348 1.00 35.21 H new ATOM 0 HG21 ILE A 514 -0.044 -5.819 7.505 1.00 61.21 H new ATOM 0 HG22 ILE A 514 -0.090 -4.310 8.447 1.00 61.21 H new ATOM 0 HG23 ILE A 514 -0.444 -4.281 6.703 1.00 61.21 H new ATOM 0 HD11 ILE A 514 2.867 -6.966 5.041 1.00 44.41 H new ATOM 0 HD12 ILE A 514 3.512 -6.507 6.635 1.00 44.41 H new ATOM 0 HD13 ILE A 514 1.884 -7.212 6.504 1.00 44.41 H new ATOM 521 N SER A 515 0.319 -1.936 8.587 1.00 1.01 N ATOM 522 CA SER A 515 -0.172 -1.319 9.813 1.00 1.54 C ATOM 523 C SER A 515 -1.410 -2.046 10.330 1.00 42.42 C ATOM 524 O SER A 515 -1.985 -2.884 9.636 1.00 33.02 O ATOM 525 CB SER A 515 -0.497 0.157 9.572 1.00 23.10 C ATOM 526 OG SER A 515 -0.201 0.938 10.717 1.00 52.12 O ATOM 0 H SER A 515 -0.367 -1.982 7.834 1.00 1.01 H new ATOM 0 HA SER A 515 0.612 -1.393 10.566 1.00 1.54 H new ATOM 0 HB2 SER A 515 0.075 0.524 8.720 1.00 23.10 H new ATOM 0 HB3 SER A 515 -1.552 0.264 9.318 1.00 23.10 H new ATOM 0 HG SER A 515 -0.416 1.877 10.537 1.00 52.12 H new ATOM 532 N SER A 516 -1.814 -1.718 11.553 1.00 42.31 N ATOM 533 CA SER A 516 -2.981 -2.341 12.165 1.00 20.43 C ATOM 534 C SER A 516 -4.246 -2.022 11.374 1.00 64.12 C ATOM 535 O SER A 516 -5.225 -2.766 11.422 1.00 74.04 O ATOM 536 CB SER A 516 -3.138 -1.869 13.612 1.00 51.22 C ATOM 537 OG SER A 516 -3.799 -2.845 14.398 1.00 3.04 O ATOM 0 H SER A 516 -1.350 -1.024 12.139 1.00 42.31 H new ATOM 0 HA SER A 516 -2.831 -3.421 12.157 1.00 20.43 H new ATOM 0 HB2 SER A 516 -2.157 -1.658 14.038 1.00 51.22 H new ATOM 0 HB3 SER A 516 -3.702 -0.937 13.634 1.00 51.22 H new ATOM 0 HG SER A 516 -3.886 -2.520 15.318 1.00 3.04 H new ATOM 543 N ARG A 517 -4.216 -0.910 10.646 1.00 23.33 N ATOM 544 CA ARG A 517 -5.359 -0.491 9.845 1.00 12.30 C ATOM 545 C ARG A 517 -5.206 -0.948 8.397 1.00 21.34 C ATOM 546 O ARG A 517 -6.186 -1.297 7.739 1.00 71.11 O ATOM 547 CB ARG A 517 -5.514 1.030 9.897 1.00 54.35 C ATOM 548 CG ARG A 517 -4.242 1.785 9.545 1.00 35.40 C ATOM 549 CD ARG A 517 -4.502 3.275 9.396 1.00 52.45 C ATOM 550 NE ARG A 517 -5.288 3.808 10.505 1.00 3.24 N ATOM 551 CZ ARG A 517 -5.969 4.947 10.444 1.00 72.24 C ATOM 552 NH1 ARG A 517 -5.962 5.668 9.331 1.00 2.11 N ATOM 553 NH2 ARG A 517 -6.661 5.366 11.496 1.00 65.41 N ATOM 0 H ARG A 517 -3.413 -0.284 10.595 1.00 23.33 H new ATOM 0 HA ARG A 517 -6.253 -0.956 10.262 1.00 12.30 H new ATOM 0 HB2 ARG A 517 -6.306 1.330 9.211 1.00 54.35 H new ATOM 0 HB3 ARG A 517 -5.833 1.320 10.898 1.00 54.35 H new ATOM 0 HG2 ARG A 517 -3.494 1.621 10.320 1.00 35.40 H new ATOM 0 HG3 ARG A 517 -3.830 1.392 8.616 1.00 35.40 H new ATOM 0 HD2 ARG A 517 -3.551 3.805 9.338 1.00 52.45 H new ATOM 0 HD3 ARG A 517 -5.027 3.459 8.459 1.00 52.45 H new ATOM 0 HE ARG A 517 -5.316 3.276 11.375 1.00 3.24 H new ATOM 0 HH11 ARG A 517 -5.433 5.348 8.520 1.00 2.11 H new ATOM 0 HH12 ARG A 517 -6.486 6.542 9.286 1.00 2.11 H new ATOM 0 HH21 ARG A 517 -6.671 4.813 12.353 1.00 65.41 H new ATOM 0 HH22 ARG A 517 -7.183 6.241 11.447 1.00 65.41 H new ATOM 567 N TYR A 518 -3.971 -0.944 7.909 1.00 42.33 N ATOM 568 CA TYR A 518 -3.689 -1.355 6.539 1.00 75.34 C ATOM 569 C TYR A 518 -4.156 -2.787 6.293 1.00 24.22 C ATOM 570 O TYR A 518 -4.578 -3.133 5.190 1.00 74.42 O ATOM 571 CB TYR A 518 -2.193 -1.237 6.245 1.00 21.14 C ATOM 572 CG TYR A 518 -1.886 -0.577 4.920 1.00 3.13 C ATOM 573 CD1 TYR A 518 -1.159 -1.244 3.942 1.00 50.14 C ATOM 574 CD2 TYR A 518 -2.321 0.714 4.647 1.00 31.12 C ATOM 575 CE1 TYR A 518 -0.875 -0.645 2.730 1.00 53.44 C ATOM 576 CE2 TYR A 518 -2.043 1.320 3.438 1.00 53.54 C ATOM 577 CZ TYR A 518 -1.320 0.637 2.482 1.00 10.42 C ATOM 578 OH TYR A 518 -1.040 1.239 1.277 1.00 71.35 O ATOM 0 H TYR A 518 -3.149 -0.661 8.442 1.00 42.33 H new ATOM 0 HA TYR A 518 -4.237 -0.693 5.869 1.00 75.34 H new ATOM 0 HB2 TYR A 518 -1.718 -0.667 7.044 1.00 21.14 H new ATOM 0 HB3 TYR A 518 -1.749 -2.233 6.257 1.00 21.14 H new ATOM 0 HD1 TYR A 518 -0.810 -2.248 4.132 1.00 50.14 H new ATOM 0 HD2 TYR A 518 -2.886 1.253 5.393 1.00 31.12 H new ATOM 0 HE1 TYR A 518 -0.308 -1.177 1.981 1.00 53.44 H new ATOM 0 HE2 TYR A 518 -2.390 2.324 3.242 1.00 53.54 H new ATOM 0 HH TYR A 518 -1.426 2.140 1.264 1.00 71.35 H new ATOM 588 N ILE A 519 -4.075 -3.614 7.330 1.00 35.21 N ATOM 589 CA ILE A 519 -4.490 -5.008 7.229 1.00 54.22 C ATOM 590 C ILE A 519 -5.974 -5.117 6.895 1.00 14.32 C ATOM 591 O ILE A 519 -6.786 -4.316 7.358 1.00 43.13 O ATOM 592 CB ILE A 519 -4.212 -5.775 8.535 1.00 3.40 C ATOM 593 CG1 ILE A 519 -2.717 -5.743 8.861 1.00 32.35 C ATOM 594 CG2 ILE A 519 -4.705 -7.209 8.423 1.00 61.45 C ATOM 595 CD1 ILE A 519 -2.424 -5.660 10.343 1.00 21.31 C ATOM 0 H ILE A 519 -3.726 -3.343 8.249 1.00 35.21 H new ATOM 0 HA ILE A 519 -3.905 -5.453 6.424 1.00 54.22 H new ATOM 0 HB ILE A 519 -4.753 -5.289 9.347 1.00 3.40 H new ATOM 0 HG12 ILE A 519 -2.246 -6.638 8.455 1.00 32.35 H new ATOM 0 HG13 ILE A 519 -2.262 -4.888 8.360 1.00 32.35 H new ATOM 0 HG21 ILE A 519 -4.501 -7.738 9.354 1.00 61.45 H new ATOM 0 HG22 ILE A 519 -5.778 -7.211 8.232 1.00 61.45 H new ATOM 0 HG23 ILE A 519 -4.190 -7.708 7.602 1.00 61.45 H new ATOM 0 HD11 ILE A 519 -1.346 -5.641 10.500 1.00 21.31 H new ATOM 0 HD12 ILE A 519 -2.866 -4.751 10.751 1.00 21.31 H new ATOM 0 HD13 ILE A 519 -2.849 -6.528 10.847 1.00 21.31 H new ATOM 607 N GLY A 520 -6.323 -6.116 6.090 1.00 43.33 N ATOM 608 CA GLY A 520 -7.709 -6.313 5.709 1.00 12.31 C ATOM 609 C GLY A 520 -8.549 -6.867 6.843 1.00 3.42 C ATOM 610 O GLY A 520 -8.648 -6.256 7.906 1.00 1.34 O ATOM 0 H GLY A 520 -5.670 -6.793 5.695 1.00 43.33 H new ATOM 0 HA2 GLY A 520 -8.130 -5.363 5.379 1.00 12.31 H new ATOM 0 HA3 GLY A 520 -7.756 -6.995 4.860 1.00 12.31 H new ATOM 614 N ASN A 521 -9.156 -8.027 6.616 1.00 40.21 N ATOM 615 CA ASN A 521 -9.993 -8.662 7.627 1.00 75.02 C ATOM 616 C ASN A 521 -9.188 -9.662 8.451 1.00 3.51 C ATOM 617 O ASN A 521 -8.541 -10.555 7.903 1.00 2.41 O ATOM 618 CB ASN A 521 -11.180 -9.367 6.966 1.00 23.55 C ATOM 619 CG ASN A 521 -12.160 -8.391 6.345 1.00 62.42 C ATOM 620 OD1 ASN A 521 -13.273 -8.213 6.839 1.00 10.43 O ATOM 621 ND2 ASN A 521 -11.749 -7.754 5.254 1.00 31.44 N ATOM 0 H ASN A 521 -9.084 -8.546 5.741 1.00 40.21 H new ATOM 0 HA ASN A 521 -10.365 -7.885 8.295 1.00 75.02 H new ATOM 0 HB2 ASN A 521 -10.813 -10.047 6.198 1.00 23.55 H new ATOM 0 HB3 ASN A 521 -11.698 -9.974 7.708 1.00 23.55 H new ATOM 0 HD21 ASN A 521 -12.365 -7.086 4.791 1.00 31.44 H new ATOM 0 HD22 ASN A 521 -10.817 -7.933 4.879 1.00 31.44 H new ATOM 628 N ILE A 522 -9.232 -9.505 9.770 1.00 53.23 N ATOM 629 CA ILE A 522 -8.508 -10.394 10.669 1.00 32.22 C ATOM 630 C ILE A 522 -9.464 -11.128 11.604 1.00 2.20 C ATOM 631 O ILE A 522 -10.268 -10.507 12.300 1.00 22.53 O ATOM 632 CB ILE A 522 -7.475 -9.623 11.512 1.00 64.44 C ATOM 633 CG1 ILE A 522 -6.632 -8.712 10.616 1.00 31.44 C ATOM 634 CG2 ILE A 522 -6.586 -10.593 12.276 1.00 3.23 C ATOM 635 CD1 ILE A 522 -6.927 -7.241 10.804 1.00 4.44 C ATOM 0 H ILE A 522 -9.762 -8.770 10.239 1.00 53.23 H new ATOM 0 HA ILE A 522 -7.987 -11.119 10.044 1.00 32.22 H new ATOM 0 HB ILE A 522 -8.006 -9.002 12.233 1.00 64.44 H new ATOM 0 HG12 ILE A 522 -5.576 -8.892 10.819 1.00 31.44 H new ATOM 0 HG13 ILE A 522 -6.806 -8.979 9.574 1.00 31.44 H new ATOM 0 HG21 ILE A 522 -5.861 -10.034 12.867 1.00 3.23 H new ATOM 0 HG22 ILE A 522 -7.199 -11.205 12.938 1.00 3.23 H new ATOM 0 HG23 ILE A 522 -6.060 -11.237 11.571 1.00 3.23 H new ATOM 0 HD11 ILE A 522 -6.294 -6.655 10.138 1.00 4.44 H new ATOM 0 HD12 ILE A 522 -7.974 -7.047 10.572 1.00 4.44 H new ATOM 0 HD13 ILE A 522 -6.726 -6.959 11.837 1.00 4.44 H new ATOM 647 N LYS A 523 -9.370 -12.453 11.616 1.00 23.12 N ATOM 648 CA LYS A 523 -10.223 -13.273 12.468 1.00 70.43 C ATOM 649 C LYS A 523 -9.423 -13.882 13.615 1.00 61.43 C ATOM 650 O LYS A 523 -8.219 -14.114 13.491 1.00 34.13 O ATOM 651 CB LYS A 523 -10.882 -14.383 11.646 1.00 73.50 C ATOM 652 CG LYS A 523 -12.124 -14.967 12.298 1.00 62.21 C ATOM 653 CD LYS A 523 -12.368 -16.399 11.850 1.00 11.42 C ATOM 654 CE LYS A 523 -12.914 -16.453 10.432 1.00 61.44 C ATOM 655 NZ LYS A 523 -14.395 -16.305 10.401 1.00 34.12 N ATOM 0 H LYS A 523 -8.711 -12.982 11.045 1.00 23.12 H new ATOM 0 HA LYS A 523 -10.997 -12.632 12.889 1.00 70.43 H new ATOM 0 HB2 LYS A 523 -11.148 -13.988 10.665 1.00 73.50 H new ATOM 0 HB3 LYS A 523 -10.158 -15.181 11.483 1.00 73.50 H new ATOM 0 HG2 LYS A 523 -12.015 -14.938 13.382 1.00 62.21 H new ATOM 0 HG3 LYS A 523 -12.990 -14.354 12.048 1.00 62.21 H new ATOM 0 HD2 LYS A 523 -11.436 -16.962 11.904 1.00 11.42 H new ATOM 0 HD3 LYS A 523 -13.071 -16.880 12.530 1.00 11.42 H new ATOM 0 HE2 LYS A 523 -12.458 -15.662 9.837 1.00 61.44 H new ATOM 0 HE3 LYS A 523 -12.634 -17.400 9.971 1.00 61.44 H new ATOM 0 HZ1 LYS A 523 -14.728 -16.347 9.417 1.00 34.12 H new ATOM 0 HZ2 LYS A 523 -14.832 -17.074 10.947 1.00 34.12 H new ATOM 0 HZ3 LYS A 523 -14.661 -15.390 10.817 1.00 34.12 H new ATOM 669 N LEU A 524 -10.098 -14.141 14.729 1.00 11.11 N ATOM 670 CA LEU A 524 -9.450 -14.725 15.898 1.00 31.02 C ATOM 671 C LEU A 524 -10.377 -15.714 16.598 1.00 53.15 C ATOM 672 O LEU A 524 -11.168 -15.335 17.462 1.00 24.13 O ATOM 673 CB LEU A 524 -9.029 -13.626 16.875 1.00 45.43 C ATOM 674 CG LEU A 524 -8.047 -14.042 17.971 1.00 14.22 C ATOM 675 CD1 LEU A 524 -8.750 -14.886 19.023 1.00 4.15 C ATOM 676 CD2 LEU A 524 -6.871 -14.800 17.374 1.00 21.24 C ATOM 0 H LEU A 524 -11.094 -13.956 14.848 1.00 11.11 H new ATOM 0 HA LEU A 524 -8.564 -15.262 15.560 1.00 31.02 H new ATOM 0 HB2 LEU A 524 -8.582 -12.812 16.304 1.00 45.43 H new ATOM 0 HB3 LEU A 524 -9.925 -13.227 17.350 1.00 45.43 H new ATOM 0 HG LEU A 524 -7.665 -13.142 18.452 1.00 14.22 H new ATOM 0 HD11 LEU A 524 -8.036 -15.173 19.795 1.00 4.15 H new ATOM 0 HD12 LEU A 524 -9.558 -14.309 19.472 1.00 4.15 H new ATOM 0 HD13 LEU A 524 -9.160 -15.782 18.556 1.00 4.15 H new ATOM 0 HD21 LEU A 524 -6.183 -15.088 18.169 1.00 21.24 H new ATOM 0 HD22 LEU A 524 -7.234 -15.694 16.867 1.00 21.24 H new ATOM 0 HD23 LEU A 524 -6.352 -14.162 16.658 1.00 21.24 H new ATOM 688 N PHE A 525 -10.274 -16.984 16.219 1.00 43.51 N ATOM 689 CA PHE A 525 -11.102 -18.028 16.810 1.00 11.24 C ATOM 690 C PHE A 525 -10.407 -18.657 18.014 1.00 1.34 C ATOM 691 O PHE A 525 -9.413 -18.131 18.515 1.00 34.14 O ATOM 692 CB PHE A 525 -11.421 -19.105 15.771 1.00 13.35 C ATOM 693 CG PHE A 525 -12.874 -19.484 15.728 1.00 51.31 C ATOM 694 CD1 PHE A 525 -13.271 -20.787 15.979 1.00 34.14 C ATOM 695 CD2 PHE A 525 -13.842 -18.537 15.436 1.00 13.42 C ATOM 696 CE1 PHE A 525 -14.607 -21.138 15.939 1.00 35.51 C ATOM 697 CE2 PHE A 525 -15.180 -18.882 15.395 1.00 71.01 C ATOM 698 CZ PHE A 525 -15.563 -20.185 15.648 1.00 51.42 C ATOM 0 H PHE A 525 -9.625 -17.314 15.505 1.00 43.51 H new ATOM 0 HA PHE A 525 -12.033 -17.571 17.147 1.00 11.24 H new ATOM 0 HB2 PHE A 525 -11.117 -18.750 14.786 1.00 13.35 H new ATOM 0 HB3 PHE A 525 -10.828 -19.994 15.987 1.00 13.35 H new ATOM 0 HD1 PHE A 525 -12.528 -21.537 16.208 1.00 34.14 H new ATOM 0 HD2 PHE A 525 -13.548 -17.517 15.238 1.00 13.42 H new ATOM 0 HE1 PHE A 525 -14.903 -22.158 16.135 1.00 35.51 H new ATOM 0 HE2 PHE A 525 -15.925 -18.134 15.166 1.00 71.01 H new ATOM 0 HZ PHE A 525 -16.608 -20.458 15.618 1.00 51.42 H new ATOM 708 N ALA A 526 -10.938 -19.785 18.474 1.00 64.34 N ATOM 709 CA ALA A 526 -10.368 -20.487 19.617 1.00 34.22 C ATOM 710 C ALA A 526 -9.011 -21.091 19.271 1.00 14.30 C ATOM 711 O ALA A 526 -8.071 -21.023 20.063 1.00 51.15 O ATOM 712 CB ALA A 526 -11.322 -21.570 20.100 1.00 71.00 C ATOM 0 H ALA A 526 -11.762 -20.232 18.072 1.00 64.34 H new ATOM 0 HA ALA A 526 -10.220 -19.764 20.419 1.00 34.22 H new ATOM 0 HB1 ALA A 526 -10.884 -22.086 20.954 1.00 71.00 H new ATOM 0 HB2 ALA A 526 -12.268 -21.116 20.397 1.00 71.00 H new ATOM 0 HB3 ALA A 526 -11.499 -22.284 19.296 1.00 71.00 H new ATOM 718 N SER A 527 -8.917 -21.682 18.084 1.00 11.51 N ATOM 719 CA SER A 527 -7.676 -22.301 17.635 1.00 22.32 C ATOM 720 C SER A 527 -7.405 -21.975 16.170 1.00 63.03 C ATOM 721 O SER A 527 -6.834 -22.784 15.437 1.00 54.22 O ATOM 722 CB SER A 527 -7.739 -23.818 17.829 1.00 51.44 C ATOM 723 OG SER A 527 -7.585 -24.164 19.194 1.00 64.51 O ATOM 0 H SER A 527 -9.685 -21.745 17.416 1.00 11.51 H new ATOM 0 HA SER A 527 -6.860 -21.898 18.235 1.00 22.32 H new ATOM 0 HB2 SER A 527 -8.693 -24.196 17.460 1.00 51.44 H new ATOM 0 HB3 SER A 527 -6.957 -24.296 17.239 1.00 51.44 H new ATOM 0 HG SER A 527 -7.631 -25.138 19.292 1.00 64.51 H new ATOM 729 N HIS A 528 -7.818 -20.784 15.749 1.00 42.30 N ATOM 730 CA HIS A 528 -7.620 -20.349 14.371 1.00 44.40 C ATOM 731 C HIS A 528 -7.628 -18.826 14.276 1.00 44.15 C ATOM 732 O HIS A 528 -8.072 -18.139 15.195 1.00 3.14 O ATOM 733 CB HIS A 528 -8.706 -20.934 13.468 1.00 40.51 C ATOM 734 CG HIS A 528 -8.454 -22.356 13.071 1.00 3.44 C ATOM 735 ND1 HIS A 528 -8.973 -23.432 13.759 1.00 72.11 N ATOM 736 CD2 HIS A 528 -7.733 -22.875 12.050 1.00 33.42 C ATOM 737 CE1 HIS A 528 -8.582 -24.553 13.179 1.00 42.42 C ATOM 738 NE2 HIS A 528 -7.829 -24.242 12.139 1.00 24.40 N ATOM 0 H HIS A 528 -8.292 -20.103 16.342 1.00 42.30 H new ATOM 0 HA HIS A 528 -6.648 -20.711 14.038 1.00 44.40 H new ATOM 0 HB2 HIS A 528 -9.665 -20.874 13.982 1.00 40.51 H new ATOM 0 HB3 HIS A 528 -8.787 -20.323 12.569 1.00 40.51 H new ATOM 0 HD2 HIS A 528 -7.185 -22.318 11.305 1.00 33.42 H new ATOM 0 HE1 HIS A 528 -8.835 -25.553 13.500 1.00 42.42 H new ATOM 0 HE2 HIS A 528 -7.390 -24.909 11.505 1.00 24.40 H new ATOM 746 N SER A 529 -7.133 -18.305 13.157 1.00 23.21 N ATOM 747 CA SER A 529 -7.079 -16.864 12.944 1.00 44.23 C ATOM 748 C SER A 529 -6.764 -16.542 11.486 1.00 53.12 C ATOM 749 O SER A 529 -5.865 -17.133 10.886 1.00 12.34 O ATOM 750 CB SER A 529 -6.026 -16.231 13.856 1.00 40.12 C ATOM 751 OG SER A 529 -5.076 -17.192 14.282 1.00 31.30 O ATOM 0 H SER A 529 -6.764 -18.860 12.385 1.00 23.21 H new ATOM 0 HA SER A 529 -8.057 -16.449 13.187 1.00 44.23 H new ATOM 0 HB2 SER A 529 -5.519 -15.424 13.326 1.00 40.12 H new ATOM 0 HB3 SER A 529 -6.512 -15.786 14.724 1.00 40.12 H new ATOM 0 HG SER A 529 -5.384 -17.610 15.113 1.00 31.30 H new ATOM 757 N THR A 530 -7.512 -15.600 10.920 1.00 54.23 N ATOM 758 CA THR A 530 -7.316 -15.199 9.532 1.00 1.14 C ATOM 759 C THR A 530 -6.756 -13.784 9.443 1.00 41.01 C ATOM 760 O THR A 530 -6.766 -13.040 10.424 1.00 44.42 O ATOM 761 CB THR A 530 -8.632 -15.269 8.736 1.00 73.25 C ATOM 762 OG1 THR A 530 -9.488 -14.183 9.107 1.00 74.10 O ATOM 763 CG2 THR A 530 -9.345 -16.590 8.983 1.00 64.43 C ATOM 0 H THR A 530 -8.259 -15.100 11.402 1.00 54.23 H new ATOM 0 HA THR A 530 -6.601 -15.898 9.099 1.00 1.14 H new ATOM 0 HB THR A 530 -8.393 -15.196 7.675 1.00 73.25 H new ATOM 0 HG1 THR A 530 -10.322 -14.234 8.595 1.00 74.10 H new ATOM 0 HG21 THR A 530 -10.272 -16.616 8.410 1.00 64.43 H new ATOM 0 HG22 THR A 530 -8.703 -17.414 8.672 1.00 64.43 H new ATOM 0 HG23 THR A 530 -9.572 -16.688 10.045 1.00 64.43 H new ATOM 771 N ILE A 531 -6.269 -13.419 8.262 1.00 54.23 N ATOM 772 CA ILE A 531 -5.707 -12.092 8.045 1.00 40.32 C ATOM 773 C ILE A 531 -5.417 -11.852 6.567 1.00 31.20 C ATOM 774 O ILE A 531 -5.005 -12.763 5.850 1.00 23.42 O ATOM 775 CB ILE A 531 -4.409 -11.892 8.850 1.00 53.21 C ATOM 776 CG1 ILE A 531 -3.805 -10.518 8.552 1.00 14.24 C ATOM 777 CG2 ILE A 531 -3.412 -12.995 8.530 1.00 71.31 C ATOM 778 CD1 ILE A 531 -2.882 -10.016 9.640 1.00 44.51 C ATOM 0 H ILE A 531 -6.252 -14.024 7.441 1.00 54.23 H new ATOM 0 HA ILE A 531 -6.452 -11.374 8.388 1.00 40.32 H new ATOM 0 HB ILE A 531 -4.647 -11.941 9.913 1.00 53.21 H new ATOM 0 HG12 ILE A 531 -3.253 -10.568 7.613 1.00 14.24 H new ATOM 0 HG13 ILE A 531 -4.611 -9.798 8.410 1.00 14.24 H new ATOM 0 HG21 ILE A 531 -2.500 -12.840 9.107 1.00 71.31 H new ATOM 0 HG22 ILE A 531 -3.844 -13.962 8.788 1.00 71.31 H new ATOM 0 HG23 ILE A 531 -3.176 -12.975 7.466 1.00 71.31 H new ATOM 0 HD11 ILE A 531 -2.490 -9.037 9.362 1.00 44.51 H new ATOM 0 HD12 ILE A 531 -3.434 -9.933 10.576 1.00 44.51 H new ATOM 0 HD13 ILE A 531 -2.055 -10.715 9.767 1.00 44.51 H new ATOM 790 N GLU A 532 -5.634 -10.620 6.119 1.00 13.51 N ATOM 791 CA GLU A 532 -5.395 -10.260 4.726 1.00 30.42 C ATOM 792 C GLU A 532 -4.371 -9.134 4.623 1.00 63.00 C ATOM 793 O GLU A 532 -4.560 -8.054 5.183 1.00 15.52 O ATOM 794 CB GLU A 532 -6.703 -9.839 4.053 1.00 2.53 C ATOM 795 CG GLU A 532 -6.616 -9.779 2.538 1.00 43.45 C ATOM 796 CD GLU A 532 -7.863 -10.313 1.860 1.00 44.31 C ATOM 797 OE1 GLU A 532 -7.804 -11.428 1.301 1.00 2.15 O ATOM 798 OE2 GLU A 532 -8.898 -9.615 1.889 1.00 41.54 O ATOM 0 H GLU A 532 -5.975 -9.854 6.700 1.00 13.51 H new ATOM 0 HA GLU A 532 -4.998 -11.136 4.214 1.00 30.42 H new ATOM 0 HB2 GLU A 532 -7.489 -10.539 4.336 1.00 2.53 H new ATOM 0 HB3 GLU A 532 -6.997 -8.860 4.431 1.00 2.53 H new ATOM 0 HG2 GLU A 532 -6.452 -8.747 2.228 1.00 43.45 H new ATOM 0 HG3 GLU A 532 -5.752 -10.353 2.204 1.00 43.45 H new ATOM 805 N LEU A 533 -3.285 -9.394 3.904 1.00 64.42 N ATOM 806 CA LEU A 533 -2.229 -8.404 3.727 1.00 44.54 C ATOM 807 C LEU A 533 -2.244 -7.839 2.310 1.00 64.34 C ATOM 808 O LEU A 533 -2.250 -8.575 1.322 1.00 12.22 O ATOM 809 CB LEU A 533 -0.863 -9.025 4.026 1.00 74.21 C ATOM 810 CG LEU A 533 -0.272 -8.716 5.402 1.00 51.13 C ATOM 811 CD1 LEU A 533 -1.272 -9.046 6.499 1.00 60.21 C ATOM 812 CD2 LEU A 533 1.025 -9.485 5.610 1.00 15.30 C ATOM 0 H LEU A 533 -3.113 -10.283 3.434 1.00 64.42 H new ATOM 0 HA LEU A 533 -2.410 -7.588 4.426 1.00 44.54 H new ATOM 0 HB2 LEU A 533 -0.948 -10.107 3.924 1.00 74.21 H new ATOM 0 HB3 LEU A 533 -0.158 -8.687 3.266 1.00 74.21 H new ATOM 0 HG LEU A 533 -0.051 -7.650 5.450 1.00 51.13 H new ATOM 0 HD11 LEU A 533 -0.834 -8.820 7.471 1.00 60.21 H new ATOM 0 HD12 LEU A 533 -2.174 -8.450 6.360 1.00 60.21 H new ATOM 0 HD13 LEU A 533 -1.526 -10.105 6.453 1.00 60.21 H new ATOM 0 HD21 LEU A 533 1.432 -9.253 6.594 1.00 15.30 H new ATOM 0 HD22 LEU A 533 0.829 -10.555 5.541 1.00 15.30 H new ATOM 0 HD23 LEU A 533 1.745 -9.198 4.843 1.00 15.30 H new ATOM 824 N PRO A 534 -2.247 -6.502 2.205 1.00 61.12 N ATOM 825 CA PRO A 534 -2.258 -5.809 0.913 1.00 60.30 C ATOM 826 C PRO A 534 -0.940 -5.963 0.161 1.00 11.25 C ATOM 827 O PRO A 534 -0.816 -5.542 -0.989 1.00 15.11 O ATOM 828 CB PRO A 534 -2.487 -4.345 1.297 1.00 21.45 C ATOM 829 CG PRO A 534 -1.970 -4.234 2.690 1.00 23.32 C ATOM 830 CD PRO A 534 -2.239 -5.563 3.339 1.00 34.54 C ATOM 0 HA PRO A 534 -3.017 -6.211 0.242 1.00 60.30 H new ATOM 0 HB2 PRO A 534 -1.957 -3.671 0.623 1.00 21.45 H new ATOM 0 HB3 PRO A 534 -3.544 -4.082 1.245 1.00 21.45 H new ATOM 0 HG2 PRO A 534 -0.904 -4.007 2.694 1.00 23.32 H new ATOM 0 HG3 PRO A 534 -2.469 -3.429 3.229 1.00 23.32 H new ATOM 0 HD2 PRO A 534 -1.468 -5.818 4.066 1.00 34.54 H new ATOM 0 HD3 PRO A 534 -3.191 -5.566 3.869 1.00 34.54 H new ATOM 838 N LYS A 535 0.043 -6.569 0.818 1.00 2.35 N ATOM 839 CA LYS A 535 1.352 -6.780 0.213 1.00 44.04 C ATOM 840 C LYS A 535 1.214 -7.325 -1.206 1.00 2.45 C ATOM 841 O LYS A 535 0.251 -8.022 -1.522 1.00 25.32 O ATOM 842 CB LYS A 535 2.181 -7.746 1.063 1.00 52.13 C ATOM 843 CG LYS A 535 2.418 -7.257 2.481 1.00 22.52 C ATOM 844 CD LYS A 535 3.657 -6.382 2.569 1.00 12.25 C ATOM 845 CE LYS A 535 3.313 -4.911 2.391 1.00 45.12 C ATOM 846 NZ LYS A 535 4.390 -4.173 1.674 1.00 23.11 N ATOM 0 H LYS A 535 -0.043 -6.923 1.771 1.00 2.35 H new ATOM 0 HA LYS A 535 1.862 -5.818 0.167 1.00 44.04 H new ATOM 0 HB2 LYS A 535 1.675 -8.711 1.100 1.00 52.13 H new ATOM 0 HB3 LYS A 535 3.143 -7.909 0.578 1.00 52.13 H new ATOM 0 HG2 LYS A 535 1.549 -6.695 2.823 1.00 22.52 H new ATOM 0 HG3 LYS A 535 2.527 -8.112 3.148 1.00 22.52 H new ATOM 0 HD2 LYS A 535 4.140 -6.530 3.535 1.00 12.25 H new ATOM 0 HD3 LYS A 535 4.373 -6.685 1.805 1.00 12.25 H new ATOM 0 HE2 LYS A 535 2.379 -4.821 1.836 1.00 45.12 H new ATOM 0 HE3 LYS A 535 3.149 -4.456 3.368 1.00 45.12 H new ATOM 0 HZ1 LYS A 535 4.426 -3.192 2.017 1.00 23.11 H new ATOM 0 HZ2 LYS A 535 5.305 -4.635 1.851 1.00 23.11 H new ATOM 0 HZ3 LYS A 535 4.193 -4.176 0.653 1.00 23.11 H new ATOM 860 N GLY A 536 2.184 -7.002 -2.056 1.00 1.00 N ATOM 861 CA GLY A 536 2.152 -7.469 -3.430 1.00 13.33 C ATOM 862 C GLY A 536 3.456 -8.114 -3.854 1.00 31.55 C ATOM 863 O GLY A 536 3.942 -7.879 -4.959 1.00 44.40 O ATOM 0 H GLY A 536 2.991 -6.426 -1.818 1.00 1.00 H new ATOM 0 HA2 GLY A 536 1.340 -8.187 -3.548 1.00 13.33 H new ATOM 0 HA3 GLY A 536 1.934 -6.630 -4.091 1.00 13.33 H new ATOM 867 N MET A 537 4.024 -8.930 -2.972 1.00 23.42 N ATOM 868 CA MET A 537 5.281 -9.612 -3.261 1.00 51.40 C ATOM 869 C MET A 537 5.664 -10.552 -2.123 1.00 2.45 C ATOM 870 O MET A 537 6.644 -10.334 -1.409 1.00 72.11 O ATOM 871 CB MET A 537 6.397 -8.591 -3.493 1.00 61.55 C ATOM 872 CG MET A 537 7.483 -9.083 -4.436 1.00 61.35 C ATOM 873 SD MET A 537 6.923 -9.187 -6.147 1.00 73.51 S ATOM 874 CE MET A 537 7.603 -10.773 -6.630 1.00 54.41 C ATOM 0 H MET A 537 3.634 -9.135 -2.052 1.00 23.42 H new ATOM 0 HA MET A 537 5.145 -10.204 -4.166 1.00 51.40 H new ATOM 0 HB2 MET A 537 5.963 -7.676 -3.897 1.00 61.55 H new ATOM 0 HB3 MET A 537 6.848 -8.334 -2.535 1.00 61.55 H new ATOM 0 HG2 MET A 537 8.340 -8.412 -4.379 1.00 61.35 H new ATOM 0 HG3 MET A 537 7.825 -10.065 -4.109 1.00 61.35 H new ATOM 0 HE1 MET A 537 7.341 -10.980 -7.668 1.00 54.41 H new ATOM 0 HE2 MET A 537 8.688 -10.750 -6.527 1.00 54.41 H new ATOM 0 HE3 MET A 537 7.194 -11.554 -5.989 1.00 54.41 H new ATOM 884 N PRO A 538 4.875 -11.622 -1.946 1.00 42.13 N ATOM 885 CA PRO A 538 5.113 -12.616 -0.896 1.00 31.32 C ATOM 886 C PRO A 538 6.358 -13.456 -1.163 1.00 13.42 C ATOM 887 O PRO A 538 7.092 -13.208 -2.119 1.00 35.42 O ATOM 888 CB PRO A 538 3.858 -13.491 -0.945 1.00 14.14 C ATOM 889 CG PRO A 538 3.349 -13.346 -2.338 1.00 23.45 C ATOM 890 CD PRO A 538 3.691 -11.944 -2.760 1.00 34.15 C ATOM 0 HA PRO A 538 5.287 -12.150 0.074 1.00 31.32 H new ATOM 0 HB2 PRO A 538 4.091 -14.531 -0.715 1.00 14.14 H new ATOM 0 HB3 PRO A 538 3.117 -13.162 -0.217 1.00 14.14 H new ATOM 0 HG2 PRO A 538 3.812 -14.077 -3.001 1.00 23.45 H new ATOM 0 HG3 PRO A 538 2.273 -13.515 -2.380 1.00 23.45 H new ATOM 0 HD2 PRO A 538 3.909 -11.887 -3.826 1.00 34.15 H new ATOM 0 HD3 PRO A 538 2.870 -11.254 -2.565 1.00 34.15 H new ATOM 898 N GLY A 539 6.589 -14.450 -0.311 1.00 65.12 N ATOM 899 CA GLY A 539 7.746 -15.311 -0.473 1.00 45.03 C ATOM 900 C GLY A 539 8.921 -14.870 0.378 1.00 72.32 C ATOM 901 O GLY A 539 10.006 -15.444 0.293 1.00 0.03 O ATOM 0 H GLY A 539 5.996 -14.674 0.488 1.00 65.12 H new ATOM 0 HA2 GLY A 539 7.474 -16.333 -0.210 1.00 45.03 H new ATOM 0 HA3 GLY A 539 8.044 -15.320 -1.521 1.00 45.03 H new ATOM 905 N GLU A 540 8.704 -13.847 1.199 1.00 71.41 N ATOM 906 CA GLU A 540 9.755 -13.329 2.067 1.00 71.24 C ATOM 907 C GLU A 540 9.904 -14.193 3.316 1.00 42.21 C ATOM 908 O GLU A 540 10.990 -14.690 3.614 1.00 30.41 O ATOM 909 CB GLU A 540 9.451 -11.884 2.466 1.00 53.31 C ATOM 910 CG GLU A 540 8.944 -11.029 1.317 1.00 41.43 C ATOM 911 CD GLU A 540 9.933 -10.948 0.170 1.00 53.52 C ATOM 912 OE1 GLU A 540 11.101 -10.584 0.418 1.00 63.24 O ATOM 913 OE2 GLU A 540 9.537 -11.248 -0.976 1.00 71.01 O ATOM 0 H GLU A 540 7.811 -13.361 1.281 1.00 71.41 H new ATOM 0 HA GLU A 540 10.694 -13.356 1.514 1.00 71.24 H new ATOM 0 HB2 GLU A 540 8.707 -11.885 3.263 1.00 53.31 H new ATOM 0 HB3 GLU A 540 10.355 -11.431 2.874 1.00 53.31 H new ATOM 0 HG2 GLU A 540 8.002 -11.439 0.952 1.00 41.43 H new ATOM 0 HG3 GLU A 540 8.734 -10.024 1.682 1.00 41.43 H new ATOM 920 N VAL A 541 8.805 -14.366 4.043 1.00 1.23 N ATOM 921 CA VAL A 541 8.812 -15.169 5.260 1.00 23.20 C ATOM 922 C VAL A 541 8.729 -16.657 4.937 1.00 44.21 C ATOM 923 O VAL A 541 9.296 -17.490 5.646 1.00 53.13 O ATOM 924 CB VAL A 541 7.644 -14.791 6.189 1.00 14.02 C ATOM 925 CG1 VAL A 541 7.727 -15.566 7.495 1.00 4.14 C ATOM 926 CG2 VAL A 541 7.633 -13.292 6.449 1.00 64.13 C ATOM 0 H VAL A 541 7.898 -13.961 3.810 1.00 1.23 H new ATOM 0 HA VAL A 541 9.753 -14.962 5.770 1.00 23.20 H new ATOM 0 HB VAL A 541 6.710 -15.058 5.695 1.00 14.02 H new ATOM 0 HG11 VAL A 541 6.893 -15.285 8.138 1.00 4.14 H new ATOM 0 HG12 VAL A 541 7.681 -16.635 7.287 1.00 4.14 H new ATOM 0 HG13 VAL A 541 8.666 -15.334 7.997 1.00 4.14 H new ATOM 0 HG21 VAL A 541 6.801 -13.043 7.107 1.00 64.13 H new ATOM 0 HG22 VAL A 541 8.570 -12.998 6.921 1.00 64.13 H new ATOM 0 HG23 VAL A 541 7.520 -12.760 5.505 1.00 64.13 H new ATOM 936 N LEU A 542 8.021 -16.984 3.862 1.00 34.31 N ATOM 937 CA LEU A 542 7.863 -18.373 3.443 1.00 4.23 C ATOM 938 C LEU A 542 9.202 -18.968 3.017 1.00 14.11 C ATOM 939 O LEU A 542 9.379 -20.186 3.022 1.00 4.44 O ATOM 940 CB LEU A 542 6.860 -18.469 2.293 1.00 41.54 C ATOM 941 CG LEU A 542 5.480 -17.865 2.554 1.00 53.13 C ATOM 942 CD1 LEU A 542 4.620 -17.936 1.301 1.00 21.52 C ATOM 943 CD2 LEU A 542 4.797 -18.576 3.713 1.00 70.53 C ATOM 0 H LEU A 542 7.547 -16.307 3.264 1.00 34.31 H new ATOM 0 HA LEU A 542 7.487 -18.943 4.293 1.00 4.23 H new ATOM 0 HB2 LEU A 542 7.290 -17.978 1.420 1.00 41.54 H new ATOM 0 HB3 LEU A 542 6.732 -19.521 2.036 1.00 41.54 H new ATOM 0 HG LEU A 542 5.609 -16.816 2.822 1.00 53.13 H new ATOM 0 HD11 LEU A 542 3.642 -17.501 1.506 1.00 21.52 H new ATOM 0 HD12 LEU A 542 5.102 -17.381 0.497 1.00 21.52 H new ATOM 0 HD13 LEU A 542 4.499 -18.977 1.001 1.00 21.52 H new ATOM 0 HD21 LEU A 542 3.816 -18.133 3.884 1.00 70.53 H new ATOM 0 HD22 LEU A 542 4.681 -19.633 3.474 1.00 70.53 H new ATOM 0 HD23 LEU A 542 5.404 -18.472 4.612 1.00 70.53 H new ATOM 955 N GLN A 543 10.139 -18.100 2.651 1.00 64.23 N ATOM 956 CA GLN A 543 11.462 -18.541 2.223 1.00 10.23 C ATOM 957 C GLN A 543 12.369 -18.785 3.425 1.00 42.32 C ATOM 958 O GLN A 543 12.872 -19.892 3.622 1.00 53.52 O ATOM 959 CB GLN A 543 12.094 -17.502 1.295 1.00 55.10 C ATOM 960 CG GLN A 543 11.761 -17.716 -0.173 1.00 4.10 C ATOM 961 CD GLN A 543 12.491 -18.904 -0.769 1.00 55.11 C ATOM 962 OE1 GLN A 543 12.235 -20.051 -0.403 1.00 74.41 O ATOM 963 NE2 GLN A 543 13.405 -18.635 -1.693 1.00 41.44 N ATOM 0 H GLN A 543 10.007 -17.089 2.642 1.00 64.23 H new ATOM 0 HA GLN A 543 11.347 -19.479 1.681 1.00 10.23 H new ATOM 0 HB2 GLN A 543 11.760 -16.509 1.594 1.00 55.10 H new ATOM 0 HB3 GLN A 543 13.176 -17.525 1.421 1.00 55.10 H new ATOM 0 HG2 GLN A 543 10.686 -17.863 -0.280 1.00 4.10 H new ATOM 0 HG3 GLN A 543 12.017 -16.818 -0.735 1.00 4.10 H new ATOM 0 HE21 GLN A 543 13.585 -17.669 -1.966 1.00 41.44 H new ATOM 0 HE22 GLN A 543 13.927 -19.394 -2.130 1.00 41.44 H new ATOM 972 N HIS A 544 12.575 -17.744 4.225 1.00 2.25 N ATOM 973 CA HIS A 544 13.422 -17.845 5.409 1.00 63.34 C ATOM 974 C HIS A 544 12.767 -18.721 6.473 1.00 51.44 C ATOM 975 O HIS A 544 13.359 -19.692 6.942 1.00 31.55 O ATOM 976 CB HIS A 544 13.706 -16.455 5.979 1.00 64.50 C ATOM 977 CG HIS A 544 14.721 -15.682 5.194 1.00 13.22 C ATOM 978 ND1 HIS A 544 16.047 -16.049 5.111 1.00 43.43 N ATOM 979 CD2 HIS A 544 14.596 -14.556 4.453 1.00 12.13 C ATOM 980 CE1 HIS A 544 16.695 -15.181 4.354 1.00 51.21 C ATOM 981 NE2 HIS A 544 15.837 -14.265 3.942 1.00 33.20 N ATOM 0 H HIS A 544 12.167 -16.821 4.075 1.00 2.25 H new ATOM 0 HA HIS A 544 14.364 -18.307 5.113 1.00 63.34 H new ATOM 0 HB2 HIS A 544 12.776 -15.888 6.012 1.00 64.50 H new ATOM 0 HB3 HIS A 544 14.054 -16.557 7.007 1.00 64.50 H new ATOM 0 HD2 HIS A 544 13.689 -13.992 4.293 1.00 12.13 H new ATOM 0 HE1 HIS A 544 17.747 -15.215 4.113 1.00 51.21 H new ATOM 0 HE2 HIS A 544 16.060 -13.471 3.342 1.00 33.20 H new ATOM 989 N PHE A 545 11.542 -18.369 6.849 1.00 53.03 N ATOM 990 CA PHE A 545 10.807 -19.121 7.859 1.00 74.44 C ATOM 991 C PHE A 545 10.032 -20.272 7.223 1.00 70.13 C ATOM 992 O PHE A 545 8.859 -20.491 7.529 1.00 25.51 O ATOM 993 CB PHE A 545 9.846 -18.200 8.613 1.00 54.14 C ATOM 994 CG PHE A 545 10.490 -17.466 9.753 1.00 3.52 C ATOM 995 CD1 PHE A 545 10.041 -17.644 11.052 1.00 53.44 C ATOM 996 CD2 PHE A 545 11.546 -16.597 9.527 1.00 54.42 C ATOM 997 CE1 PHE A 545 10.632 -16.970 12.104 1.00 50.44 C ATOM 998 CE2 PHE A 545 12.141 -15.920 10.575 1.00 60.32 C ATOM 999 CZ PHE A 545 11.683 -16.106 11.865 1.00 71.14 C ATOM 0 H PHE A 545 11.038 -17.568 6.469 1.00 53.03 H new ATOM 0 HA PHE A 545 11.528 -19.536 8.563 1.00 74.44 H new ATOM 0 HB2 PHE A 545 9.427 -17.475 7.915 1.00 54.14 H new ATOM 0 HB3 PHE A 545 9.014 -18.791 8.996 1.00 54.14 H new ATOM 0 HD1 PHE A 545 9.219 -18.318 11.245 1.00 53.44 H new ATOM 0 HD2 PHE A 545 11.908 -16.447 8.521 1.00 54.42 H new ATOM 0 HE1 PHE A 545 10.273 -17.119 13.112 1.00 50.44 H new ATOM 0 HE2 PHE A 545 12.963 -15.246 10.385 1.00 60.32 H new ATOM 0 HZ PHE A 545 12.146 -15.577 12.685 1.00 71.14 H new ATOM 1009 N THR A 546 10.696 -21.005 6.334 1.00 12.10 N ATOM 1010 CA THR A 546 10.071 -22.132 5.653 1.00 51.30 C ATOM 1011 C THR A 546 10.045 -23.368 6.545 1.00 12.50 C ATOM 1012 O THR A 546 9.215 -24.258 6.363 1.00 32.33 O ATOM 1013 CB THR A 546 10.805 -22.474 4.343 1.00 43.32 C ATOM 1014 OG1 THR A 546 10.006 -23.358 3.550 1.00 70.42 O ATOM 1015 CG2 THR A 546 12.152 -23.119 4.630 1.00 24.31 C ATOM 0 H THR A 546 11.667 -20.838 6.069 1.00 12.10 H new ATOM 0 HA THR A 546 9.049 -21.833 5.421 1.00 51.30 H new ATOM 0 HB THR A 546 10.974 -21.547 3.794 1.00 43.32 H new ATOM 0 HG1 THR A 546 10.479 -23.569 2.718 1.00 70.42 H new ATOM 0 HG21 THR A 546 12.652 -23.352 3.690 1.00 24.31 H new ATOM 0 HG22 THR A 546 12.769 -22.431 5.208 1.00 24.31 H new ATOM 0 HG23 THR A 546 12.002 -24.037 5.198 1.00 24.31 H new ATOM 1023 N ARG A 547 10.958 -23.415 7.510 1.00 51.25 N ATOM 1024 CA ARG A 547 11.039 -24.543 8.430 1.00 43.51 C ATOM 1025 C ARG A 547 10.694 -24.110 9.852 1.00 42.21 C ATOM 1026 O ARG A 547 10.311 -24.930 10.687 1.00 53.22 O ATOM 1027 CB ARG A 547 12.441 -25.154 8.398 1.00 61.44 C ATOM 1028 CG ARG A 547 12.488 -26.595 8.879 1.00 31.23 C ATOM 1029 CD ARG A 547 12.997 -26.688 10.309 1.00 25.40 C ATOM 1030 NE ARG A 547 12.422 -27.826 11.022 1.00 45.10 N ATOM 1031 CZ ARG A 547 12.567 -28.024 12.327 1.00 24.44 C ATOM 1032 NH1 ARG A 547 13.264 -27.166 13.059 1.00 44.34 N ATOM 1033 NH2 ARG A 547 12.014 -29.084 12.904 1.00 12.51 N ATOM 0 H ARG A 547 11.651 -22.685 7.675 1.00 51.25 H new ATOM 0 HA ARG A 547 10.315 -25.293 8.111 1.00 43.51 H new ATOM 0 HB2 ARG A 547 12.825 -25.107 7.379 1.00 61.44 H new ATOM 0 HB3 ARG A 547 13.105 -24.551 9.017 1.00 61.44 H new ATOM 0 HG2 ARG A 547 11.492 -27.033 8.817 1.00 31.23 H new ATOM 0 HG3 ARG A 547 13.134 -27.178 8.223 1.00 31.23 H new ATOM 0 HD2 ARG A 547 14.083 -26.776 10.302 1.00 25.40 H new ATOM 0 HD3 ARG A 547 12.755 -25.768 10.840 1.00 25.40 H new ATOM 0 HE ARG A 547 11.880 -28.505 10.488 1.00 45.10 H new ATOM 0 HH11 ARG A 547 13.691 -26.350 12.620 1.00 44.34 H new ATOM 0 HH12 ARG A 547 13.373 -27.322 14.061 1.00 44.34 H new ATOM 0 HH21 ARG A 547 11.477 -29.747 12.345 1.00 12.51 H new ATOM 0 HH22 ARG A 547 12.126 -29.235 13.906 1.00 12.51 H new ATOM 1047 N THR A 548 10.834 -22.815 10.121 1.00 35.44 N ATOM 1048 CA THR A 548 10.539 -22.274 11.442 1.00 54.42 C ATOM 1049 C THR A 548 9.352 -21.318 11.392 1.00 50.15 C ATOM 1050 O THR A 548 9.246 -20.492 10.485 1.00 61.14 O ATOM 1051 CB THR A 548 11.755 -21.533 12.030 1.00 73.41 C ATOM 1052 OG1 THR A 548 12.863 -22.432 12.152 1.00 41.33 O ATOM 1053 CG2 THR A 548 11.422 -20.943 13.392 1.00 41.43 C ATOM 0 H THR A 548 11.150 -22.122 9.442 1.00 35.44 H new ATOM 0 HA THR A 548 10.294 -23.121 12.083 1.00 54.42 H new ATOM 0 HB THR A 548 12.020 -20.720 11.354 1.00 73.41 H new ATOM 0 HG1 THR A 548 13.633 -21.954 12.525 1.00 41.33 H new ATOM 0 HG21 THR A 548 12.296 -20.425 13.787 1.00 41.43 H new ATOM 0 HG22 THR A 548 10.597 -20.238 13.291 1.00 41.43 H new ATOM 0 HG23 THR A 548 11.135 -21.743 14.075 1.00 41.43 H new ATOM 1061 N ARG A 549 8.462 -21.435 12.371 1.00 32.14 N ATOM 1062 CA ARG A 549 7.282 -20.581 12.438 1.00 60.21 C ATOM 1063 C ARG A 549 6.751 -20.498 13.866 1.00 73.31 C ATOM 1064 O ARG A 549 7.273 -21.149 14.772 1.00 41.24 O ATOM 1065 CB ARG A 549 6.190 -21.110 11.506 1.00 22.21 C ATOM 1066 CG ARG A 549 6.373 -20.695 10.056 1.00 43.44 C ATOM 1067 CD ARG A 549 6.850 -21.857 9.199 1.00 74.22 C ATOM 1068 NE ARG A 549 5.937 -22.995 9.264 1.00 31.34 N ATOM 1069 CZ ARG A 549 6.291 -24.240 8.963 1.00 50.41 C ATOM 1070 NH1 ARG A 549 7.532 -24.504 8.578 1.00 74.54 N ATOM 1071 NH2 ARG A 549 5.403 -25.222 9.047 1.00 22.21 N ATOM 0 H ARG A 549 8.535 -22.113 13.129 1.00 32.14 H new ATOM 0 HA ARG A 549 7.570 -19.580 12.117 1.00 60.21 H new ATOM 0 HB2 ARG A 549 6.171 -22.198 11.564 1.00 22.21 H new ATOM 0 HB3 ARG A 549 5.221 -20.755 11.857 1.00 22.21 H new ATOM 0 HG2 ARG A 549 5.430 -20.315 9.663 1.00 43.44 H new ATOM 0 HG3 ARG A 549 7.094 -19.879 9.998 1.00 43.44 H new ATOM 0 HD2 ARG A 549 6.947 -21.529 8.164 1.00 74.22 H new ATOM 0 HD3 ARG A 549 7.841 -22.168 9.529 1.00 74.22 H new ATOM 0 HE ARG A 549 4.975 -22.825 9.556 1.00 31.34 H new ATOM 0 HH11 ARG A 549 8.217 -23.751 8.512 1.00 74.54 H new ATOM 0 HH12 ARG A 549 7.802 -25.460 8.347 1.00 74.54 H new ATOM 0 HH21 ARG A 549 4.448 -25.022 9.343 1.00 22.21 H new ATOM 0 HH22 ARG A 549 5.676 -26.177 8.816 1.00 22.21 H new ATOM 1085 N ILE A 550 5.711 -19.694 14.059 1.00 73.21 N ATOM 1086 CA ILE A 550 5.109 -19.527 15.376 1.00 61.10 C ATOM 1087 C ILE A 550 3.723 -18.899 15.272 1.00 45.13 C ATOM 1088 O ILE A 550 3.245 -18.603 14.176 1.00 13.11 O ATOM 1089 CB ILE A 550 5.989 -18.654 16.290 1.00 12.11 C ATOM 1090 CG1 ILE A 550 5.747 -19.010 17.758 1.00 1.34 C ATOM 1091 CG2 ILE A 550 5.708 -17.179 16.044 1.00 62.03 C ATOM 1092 CD1 ILE A 550 7.021 -19.204 18.551 1.00 40.52 C ATOM 0 H ILE A 550 5.268 -19.148 13.320 1.00 73.21 H new ATOM 0 HA ILE A 550 5.022 -20.522 15.812 1.00 61.10 H new ATOM 0 HB ILE A 550 7.036 -18.848 16.056 1.00 12.11 H new ATOM 0 HG12 ILE A 550 5.156 -18.220 18.222 1.00 1.34 H new ATOM 0 HG13 ILE A 550 5.154 -19.923 17.809 1.00 1.34 H new ATOM 0 HG21 ILE A 550 6.337 -16.575 16.697 1.00 62.03 H new ATOM 0 HG22 ILE A 550 5.925 -16.936 15.004 1.00 62.03 H new ATOM 0 HG23 ILE A 550 4.659 -16.968 16.254 1.00 62.03 H new ATOM 0 HD11 ILE A 550 6.773 -19.454 19.583 1.00 40.52 H new ATOM 0 HD12 ILE A 550 7.604 -20.014 18.111 1.00 40.52 H new ATOM 0 HD13 ILE A 550 7.606 -18.284 18.531 1.00 40.52 H new ATOM 1104 N LEU A 551 3.084 -18.696 16.418 1.00 22.14 N ATOM 1105 CA LEU A 551 1.753 -18.100 16.457 1.00 21.53 C ATOM 1106 C LEU A 551 1.604 -17.029 15.382 1.00 4.11 C ATOM 1107 O LEU A 551 0.582 -16.956 14.701 1.00 22.45 O ATOM 1108 CB LEU A 551 1.483 -17.496 17.836 1.00 24.25 C ATOM 1109 CG LEU A 551 2.397 -16.344 18.255 1.00 41.44 C ATOM 1110 CD1 LEU A 551 1.771 -15.007 17.889 1.00 3.31 C ATOM 1111 CD2 LEU A 551 2.688 -16.408 19.747 1.00 61.21 C ATOM 0 H LEU A 551 3.466 -18.935 17.333 1.00 22.14 H new ATOM 0 HA LEU A 551 1.024 -18.887 16.263 1.00 21.53 H new ATOM 0 HB2 LEU A 551 0.452 -17.143 17.860 1.00 24.25 H new ATOM 0 HB3 LEU A 551 1.566 -18.288 18.580 1.00 24.25 H new ATOM 0 HG LEU A 551 3.340 -16.440 17.718 1.00 41.44 H new ATOM 0 HD11 LEU A 551 2.435 -14.198 18.195 1.00 3.31 H new ATOM 0 HD12 LEU A 551 1.615 -14.961 16.811 1.00 3.31 H new ATOM 0 HD13 LEU A 551 0.813 -14.902 18.399 1.00 3.31 H new ATOM 0 HD21 LEU A 551 3.340 -15.580 20.026 1.00 61.21 H new ATOM 0 HD22 LEU A 551 1.753 -16.338 20.303 1.00 61.21 H new ATOM 0 HD23 LEU A 551 3.180 -17.352 19.982 1.00 61.21 H new ATOM 1123 N ASN A 552 2.633 -16.200 15.234 1.00 54.21 N ATOM 1124 CA ASN A 552 2.617 -15.133 14.240 1.00 51.21 C ATOM 1125 C ASN A 552 2.857 -15.690 12.840 1.00 51.20 C ATOM 1126 O ASN A 552 1.999 -15.587 11.963 1.00 41.52 O ATOM 1127 CB ASN A 552 3.679 -14.082 14.572 1.00 71.51 C ATOM 1128 CG ASN A 552 3.663 -12.917 13.602 1.00 72.25 C ATOM 1129 OD1 ASN A 552 2.474 -12.396 13.322 1.00 4.41 O flip ATOM 1130 ND2 ASN A 552 4.707 -12.491 13.109 1.00 34.34 N flip ATOM 0 H ASN A 552 3.487 -16.247 15.789 1.00 54.21 H new ATOM 0 HA ASN A 552 1.633 -14.665 14.262 1.00 51.21 H new ATOM 0 HB2 ASN A 552 3.515 -13.711 15.584 1.00 71.51 H new ATOM 0 HB3 ASN A 552 4.664 -14.548 14.559 1.00 71.51 H new ATOM 0 HD21 ASN A 552 5.599 -12.922 13.352 1.00 34.34 H new ATOM 0 HD22 ASN A 552 4.680 -11.707 12.457 1.00 34.34 H new ATOM 1137 N LYS A 553 4.029 -16.281 12.638 1.00 63.54 N ATOM 1138 CA LYS A 553 4.383 -16.857 11.346 1.00 63.43 C ATOM 1139 C LYS A 553 3.425 -17.983 10.971 1.00 71.41 C ATOM 1140 O LYS A 553 2.702 -18.521 11.810 1.00 13.51 O ATOM 1141 CB LYS A 553 5.820 -17.385 11.376 1.00 54.34 C ATOM 1142 CG LYS A 553 6.760 -16.541 12.219 1.00 33.45 C ATOM 1143 CD LYS A 553 6.672 -15.070 11.851 1.00 52.14 C ATOM 1144 CE LYS A 553 7.997 -14.358 12.078 1.00 73.34 C ATOM 1145 NZ LYS A 553 7.823 -12.883 12.186 1.00 74.31 N ATOM 0 H LYS A 553 4.751 -16.374 13.353 1.00 63.54 H new ATOM 0 HA LYS A 553 4.306 -16.072 10.594 1.00 63.43 H new ATOM 0 HB2 LYS A 553 5.816 -18.404 11.762 1.00 54.34 H new ATOM 0 HB3 LYS A 553 6.203 -17.432 10.356 1.00 54.34 H new ATOM 0 HG2 LYS A 553 6.517 -16.668 13.274 1.00 33.45 H new ATOM 0 HG3 LYS A 553 7.784 -16.890 12.084 1.00 33.45 H new ATOM 0 HD2 LYS A 553 6.380 -14.972 10.805 1.00 52.14 H new ATOM 0 HD3 LYS A 553 5.894 -14.591 12.445 1.00 52.14 H new ATOM 0 HE2 LYS A 553 8.461 -14.736 12.989 1.00 73.34 H new ATOM 0 HE3 LYS A 553 8.676 -14.584 11.256 1.00 73.34 H new ATOM 0 HZ1 LYS A 553 8.643 -12.405 11.761 1.00 74.31 H new ATOM 0 HZ2 LYS A 553 6.958 -12.598 11.685 1.00 74.31 H new ATOM 0 HZ3 LYS A 553 7.747 -12.615 13.188 1.00 74.31 H new ATOM 1159 N PRO A 554 3.419 -18.352 9.681 1.00 14.52 N ATOM 1160 CA PRO A 554 2.555 -19.419 9.167 1.00 41.42 C ATOM 1161 C PRO A 554 2.981 -20.797 9.660 1.00 61.32 C ATOM 1162 O PRO A 554 3.625 -21.555 8.934 1.00 54.40 O ATOM 1163 CB PRO A 554 2.730 -19.316 7.650 1.00 54.24 C ATOM 1164 CG PRO A 554 4.069 -18.691 7.464 1.00 63.22 C ATOM 1165 CD PRO A 554 4.254 -17.755 8.626 1.00 43.22 C ATOM 0 HA PRO A 554 1.523 -19.305 9.500 1.00 41.42 H new ATOM 0 HB2 PRO A 554 2.683 -20.298 7.179 1.00 54.24 H new ATOM 0 HB3 PRO A 554 1.944 -18.709 7.201 1.00 54.24 H new ATOM 0 HG2 PRO A 554 4.853 -19.448 7.444 1.00 63.22 H new ATOM 0 HG3 PRO A 554 4.120 -18.153 6.517 1.00 63.22 H new ATOM 0 HD2 PRO A 554 5.299 -17.692 8.928 1.00 43.22 H new ATOM 0 HD3 PRO A 554 3.931 -16.743 8.382 1.00 43.22 H new ATOM 1173 N MET A 555 2.617 -21.116 10.898 1.00 64.55 N ATOM 1174 CA MET A 555 2.961 -22.406 11.486 1.00 2.32 C ATOM 1175 C MET A 555 2.267 -23.544 10.745 1.00 23.10 C ATOM 1176 O MET A 555 2.921 -24.437 10.209 1.00 63.51 O ATOM 1177 CB MET A 555 2.574 -22.434 12.966 1.00 21.20 C ATOM 1178 CG MET A 555 2.673 -23.815 13.594 1.00 61.24 C ATOM 1179 SD MET A 555 4.361 -24.450 13.612 1.00 34.14 S ATOM 1180 CE MET A 555 4.521 -24.935 15.329 1.00 33.22 C ATOM 0 H MET A 555 2.085 -20.500 11.513 1.00 64.55 H new ATOM 0 HA MET A 555 4.039 -22.543 11.397 1.00 2.32 H new ATOM 0 HB2 MET A 555 3.219 -21.747 13.515 1.00 21.20 H new ATOM 0 HB3 MET A 555 1.553 -22.067 13.073 1.00 21.20 H new ATOM 0 HG2 MET A 555 2.293 -23.774 14.615 1.00 61.24 H new ATOM 0 HG3 MET A 555 2.035 -24.507 13.044 1.00 61.24 H new ATOM 0 HE1 MET A 555 5.515 -25.348 15.499 1.00 33.22 H new ATOM 0 HE2 MET A 555 4.376 -24.064 15.968 1.00 33.22 H new ATOM 0 HE3 MET A 555 3.769 -25.688 15.566 1.00 33.22 H new ATOM 1190 N ASN A 556 0.939 -23.505 10.720 1.00 50.14 N ATOM 1191 CA ASN A 556 0.157 -24.534 10.045 1.00 73.33 C ATOM 1192 C ASN A 556 -1.046 -23.924 9.331 1.00 3.54 C ATOM 1193 O ASN A 556 -2.175 -24.386 9.490 1.00 61.42 O ATOM 1194 CB ASN A 556 -0.313 -25.588 11.050 1.00 53.14 C ATOM 1195 CG ASN A 556 -0.513 -26.948 10.410 1.00 33.30 C ATOM 1196 OD1 ASN A 556 -1.574 -27.235 9.854 1.00 23.54 O ATOM 1197 ND2 ASN A 556 0.508 -27.794 10.486 1.00 1.41 N ATOM 0 H ASN A 556 0.382 -22.772 11.159 1.00 50.14 H new ATOM 0 HA ASN A 556 0.795 -25.010 9.301 1.00 73.33 H new ATOM 0 HB2 ASN A 556 0.419 -25.672 11.854 1.00 53.14 H new ATOM 0 HB3 ASN A 556 -1.249 -25.262 11.504 1.00 53.14 H new ATOM 0 HD21 ASN A 556 0.432 -28.724 10.074 1.00 1.41 H new ATOM 0 HD22 ASN A 556 1.369 -27.514 10.956 1.00 1.41 H new ATOM 1204 N MET A 557 -0.794 -22.882 8.545 1.00 12.14 N ATOM 1205 CA MET A 557 -1.856 -22.209 7.806 1.00 1.11 C ATOM 1206 C MET A 557 -1.979 -22.775 6.395 1.00 42.31 C ATOM 1207 O MET A 557 -1.235 -23.678 6.013 1.00 52.35 O ATOM 1208 CB MET A 557 -1.588 -20.704 7.743 1.00 1.12 C ATOM 1209 CG MET A 557 -0.297 -20.346 7.025 1.00 72.15 C ATOM 1210 SD MET A 557 -0.548 -20.014 5.270 1.00 30.01 S ATOM 1211 CE MET A 557 0.464 -21.296 4.535 1.00 43.42 C ATOM 0 H MET A 557 0.135 -22.486 8.404 1.00 12.14 H new ATOM 0 HA MET A 557 -2.796 -22.382 8.331 1.00 1.11 H new ATOM 0 HB2 MET A 557 -2.422 -20.216 7.239 1.00 1.12 H new ATOM 0 HB3 MET A 557 -1.552 -20.307 8.757 1.00 1.12 H new ATOM 0 HG2 MET A 557 0.146 -19.469 7.497 1.00 72.15 H new ATOM 0 HG3 MET A 557 0.416 -21.163 7.138 1.00 72.15 H new ATOM 0 HE1 MET A 557 -0.013 -21.659 3.625 1.00 43.42 H new ATOM 0 HE2 MET A 557 1.446 -20.890 4.292 1.00 43.42 H new ATOM 0 HE3 MET A 557 0.576 -22.120 5.240 1.00 43.42 H new ATOM 1221 N GLN A 558 -2.921 -22.238 5.627 1.00 75.11 N ATOM 1222 CA GLN A 558 -3.141 -22.691 4.259 1.00 71.54 C ATOM 1223 C GLN A 558 -3.910 -21.647 3.456 1.00 62.11 C ATOM 1224 O GLN A 558 -4.915 -21.107 3.921 1.00 63.42 O ATOM 1225 CB GLN A 558 -3.903 -24.018 4.254 1.00 13.35 C ATOM 1226 CG GLN A 558 -5.378 -23.873 4.594 1.00 40.11 C ATOM 1227 CD GLN A 558 -5.992 -25.166 5.092 1.00 61.51 C ATOM 1228 OE1 GLN A 558 -6.445 -25.996 4.303 1.00 73.11 O ATOM 1229 NE2 GLN A 558 -6.010 -25.346 6.407 1.00 2.35 N ATOM 0 H GLN A 558 -3.544 -21.489 5.929 1.00 75.11 H new ATOM 0 HA GLN A 558 -2.167 -22.838 3.792 1.00 71.54 H new ATOM 0 HB2 GLN A 558 -3.809 -24.478 3.270 1.00 13.35 H new ATOM 0 HB3 GLN A 558 -3.439 -24.697 4.969 1.00 13.35 H new ATOM 0 HG2 GLN A 558 -5.497 -23.102 5.355 1.00 40.11 H new ATOM 0 HG3 GLN A 558 -5.919 -23.535 3.710 1.00 40.11 H new ATOM 0 HE21 GLN A 558 -5.624 -24.632 7.025 1.00 2.35 H new ATOM 0 HE22 GLN A 558 -6.410 -26.198 6.800 1.00 2.35 H new ATOM 1238 N LEU A 559 -3.431 -21.366 2.249 1.00 73.11 N ATOM 1239 CA LEU A 559 -4.073 -20.385 1.381 1.00 75.44 C ATOM 1240 C LEU A 559 -5.510 -20.792 1.068 1.00 20.44 C ATOM 1241 O LEU A 559 -5.757 -21.868 0.521 1.00 41.21 O ATOM 1242 CB LEU A 559 -3.282 -20.230 0.081 1.00 4.41 C ATOM 1243 CG LEU A 559 -3.622 -19.005 -0.770 1.00 21.44 C ATOM 1244 CD1 LEU A 559 -4.969 -19.187 -1.451 1.00 13.41 C ATOM 1245 CD2 LEU A 559 -3.619 -17.745 0.084 1.00 62.42 C ATOM 0 H LEU A 559 -2.601 -21.803 1.849 1.00 73.11 H new ATOM 0 HA LEU A 559 -4.091 -19.430 1.905 1.00 75.44 H new ATOM 0 HB2 LEU A 559 -2.221 -20.193 0.327 1.00 4.41 H new ATOM 0 HB3 LEU A 559 -3.438 -21.123 -0.524 1.00 4.41 H new ATOM 0 HG LEU A 559 -2.859 -18.898 -1.541 1.00 21.44 H new ATOM 0 HD11 LEU A 559 -5.195 -18.306 -2.052 1.00 13.41 H new ATOM 0 HD12 LEU A 559 -4.936 -20.066 -2.094 1.00 13.41 H new ATOM 0 HD13 LEU A 559 -5.744 -19.319 -0.696 1.00 13.41 H new ATOM 0 HD21 LEU A 559 -3.863 -16.884 -0.538 1.00 62.42 H new ATOM 0 HD22 LEU A 559 -4.360 -17.841 0.877 1.00 62.42 H new ATOM 0 HD23 LEU A 559 -2.632 -17.607 0.525 1.00 62.42 H new ATOM 1257 N LEU A 560 -6.454 -19.926 1.418 1.00 51.30 N ATOM 1258 CA LEU A 560 -7.867 -20.193 1.173 1.00 30.41 C ATOM 1259 C LEU A 560 -8.457 -19.168 0.210 1.00 2.34 C ATOM 1260 O LEU A 560 -9.453 -19.432 -0.461 1.00 61.42 O ATOM 1261 CB LEU A 560 -8.645 -20.180 2.490 1.00 3.43 C ATOM 1262 CG LEU A 560 -9.064 -18.803 3.008 1.00 72.24 C ATOM 1263 CD1 LEU A 560 -10.496 -18.493 2.599 1.00 43.33 C ATOM 1264 CD2 LEU A 560 -8.913 -18.733 4.520 1.00 24.02 C ATOM 0 H LEU A 560 -6.267 -19.032 1.873 1.00 51.30 H new ATOM 0 HA LEU A 560 -7.951 -21.180 0.719 1.00 30.41 H new ATOM 0 HB2 LEU A 560 -9.541 -20.788 2.365 1.00 3.43 H new ATOM 0 HB3 LEU A 560 -8.036 -20.664 3.254 1.00 3.43 H new ATOM 0 HG LEU A 560 -8.409 -18.054 2.563 1.00 72.24 H new ATOM 0 HD11 LEU A 560 -10.777 -17.510 2.976 1.00 43.33 H new ATOM 0 HD12 LEU A 560 -10.574 -18.501 1.512 1.00 43.33 H new ATOM 0 HD13 LEU A 560 -11.165 -19.246 3.016 1.00 43.33 H new ATOM 0 HD21 LEU A 560 -9.216 -17.746 4.871 1.00 24.02 H new ATOM 0 HD22 LEU A 560 -9.543 -19.492 4.984 1.00 24.02 H new ATOM 0 HD23 LEU A 560 -7.872 -18.911 4.790 1.00 24.02 H new ATOM 1276 N GLY A 561 -7.833 -17.995 0.147 1.00 25.33 N ATOM 1277 CA GLY A 561 -8.308 -16.948 -0.738 1.00 35.23 C ATOM 1278 C GLY A 561 -7.737 -17.067 -2.136 1.00 44.15 C ATOM 1279 O GLY A 561 -7.444 -18.168 -2.603 1.00 41.24 O ATOM 0 H GLY A 561 -7.007 -17.752 0.693 1.00 25.33 H new ATOM 0 HA2 GLY A 561 -9.396 -16.986 -0.789 1.00 35.23 H new ATOM 0 HA3 GLY A 561 -8.042 -15.976 -0.322 1.00 35.23 H new ATOM 1283 N ASP A 562 -7.579 -15.931 -2.807 1.00 65.45 N ATOM 1284 CA ASP A 562 -7.039 -15.913 -4.162 1.00 5.50 C ATOM 1285 C ASP A 562 -6.789 -14.481 -4.628 1.00 32.43 C ATOM 1286 O ASP A 562 -7.704 -13.659 -4.655 1.00 10.22 O ATOM 1287 CB ASP A 562 -7.996 -16.616 -5.125 1.00 63.14 C ATOM 1288 CG ASP A 562 -7.284 -17.180 -6.339 1.00 73.15 C ATOM 1289 OD1 ASP A 562 -6.076 -17.476 -6.234 1.00 43.33 O ATOM 1290 OD2 ASP A 562 -7.936 -17.325 -7.395 1.00 62.03 O ATOM 0 H ASP A 562 -7.817 -15.011 -2.435 1.00 65.45 H new ATOM 0 HA ASP A 562 -6.088 -16.445 -4.155 1.00 5.50 H new ATOM 0 HB2 ASP A 562 -8.508 -17.423 -4.600 1.00 63.14 H new ATOM 0 HB3 ASP A 562 -8.761 -15.912 -5.451 1.00 63.14 H new ATOM 1295 N ALA A 563 -5.544 -14.192 -4.992 1.00 55.53 N ATOM 1296 CA ALA A 563 -5.175 -12.860 -5.458 1.00 31.55 C ATOM 1297 C ALA A 563 -6.017 -12.446 -6.660 1.00 4.03 C ATOM 1298 O ALA A 563 -6.024 -13.124 -7.686 1.00 62.35 O ATOM 1299 CB ALA A 563 -3.695 -12.815 -5.806 1.00 63.33 C ATOM 0 H ALA A 563 -4.774 -14.861 -4.973 1.00 55.53 H new ATOM 0 HA ALA A 563 -5.369 -12.153 -4.652 1.00 31.55 H new ATOM 0 HB1 ALA A 563 -3.433 -11.815 -6.152 1.00 63.33 H new ATOM 0 HB2 ALA A 563 -3.106 -13.059 -4.922 1.00 63.33 H new ATOM 0 HB3 ALA A 563 -3.484 -13.539 -6.593 1.00 63.33 H new ATOM 1305 N GLN A 564 -6.725 -11.329 -6.524 1.00 25.31 N ATOM 1306 CA GLN A 564 -7.571 -10.826 -7.600 1.00 23.25 C ATOM 1307 C GLN A 564 -6.770 -10.650 -8.885 1.00 64.44 C ATOM 1308 O GLN A 564 -6.141 -9.614 -9.101 1.00 1.52 O ATOM 1309 CB GLN A 564 -8.208 -9.496 -7.196 1.00 0.43 C ATOM 1310 CG GLN A 564 -9.629 -9.321 -7.708 1.00 23.33 C ATOM 1311 CD GLN A 564 -10.168 -7.925 -7.469 1.00 43.54 C ATOM 1312 OE1 GLN A 564 -11.013 -7.713 -6.599 1.00 44.31 O ATOM 1313 NE2 GLN A 564 -9.681 -6.962 -8.243 1.00 44.34 N ATOM 0 H GLN A 564 -6.730 -10.756 -5.680 1.00 25.31 H new ATOM 0 HA GLN A 564 -8.358 -11.558 -7.782 1.00 23.25 H new ATOM 0 HB2 GLN A 564 -8.211 -9.419 -6.109 1.00 0.43 H new ATOM 0 HB3 GLN A 564 -7.592 -8.679 -7.572 1.00 0.43 H new ATOM 0 HG2 GLN A 564 -9.656 -9.539 -8.776 1.00 23.33 H new ATOM 0 HG3 GLN A 564 -10.279 -10.046 -7.219 1.00 23.33 H new ATOM 0 HE21 GLN A 564 -8.981 -7.182 -8.952 1.00 44.34 H new ATOM 0 HE22 GLN A 564 -10.006 -6.002 -8.129 1.00 44.34 H new