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 107:sc= 0.57 USER MOD Single : A 512 THR OG1 : rot 57:sc= 0.726 USER MOD Single : A 513 HIS : no HE2:sc= -1.63! C(o=-1.6!,f=-3.4!) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl -125:sc= -0.172 (180deg=-4.65!) USER MOD Single : A 524 LYS NZ :NH3+ -156:sc= -0.0667 (180deg=-0.381) USER MOD Single : A 528 THR OG1 : rot -123:sc= 0.204 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN :FLIP amide:sc= -1.28 F(o=-3.9,f=-1.3) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ -115:sc= 0.853 (180deg=0.628) USER MOD Single : A 541 THR OG1 : rot 86:sc= 1.86 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 557 CYS SG : rot 180:sc= 0 USER MOD Single : A 563 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 564 ASN : amide:sc= 0.0362 K(o=0.036,f=-3.3!) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 178:sc= 1.25 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 585 LYS NZ :NH3+ 176:sc= 1.12 (180deg=1.06) USER MOD Single : A 586 THR OG1 : rot 37:sc= 0.813 USER MOD Single : A 639 HIS : no HD1:sc= 0 X(o=0,f=-0.00088) USER MOD Single : A 640 THR OG1 : rot 47:sc= -0.217 USER MOD Single : A 641 LYS NZ :NH3+ 145:sc= -0.98 (180deg=-2.53!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 502 2.697 -2.234 -0.345 1.00 4.20 N ATOM 19 CA ALA A 502 2.553 -3.498 -1.013 1.00 24.45 C ATOM 20 C ALA A 502 1.100 -3.832 -1.254 1.00 51.11 C ATOM 21 O ALA A 502 0.667 -3.976 -2.394 1.00 42.42 O ATOM 22 CB ALA A 502 3.217 -4.591 -0.208 1.00 12.33 C ATOM 0 HA ALA A 502 3.043 -3.423 -1.984 1.00 24.45 H new ATOM 0 HB1 ALA A 502 3.101 -5.544 -0.724 1.00 12.33 H new ATOM 0 HB2 ALA A 502 4.277 -4.366 -0.094 1.00 12.33 H new ATOM 0 HB3 ALA A 502 2.752 -4.652 0.776 1.00 12.33 H new ATOM 28 N GLY A 503 0.347 -3.927 -0.202 1.00 53.43 N ATOM 29 CA GLY A 503 -1.013 -4.327 -0.311 1.00 41.11 C ATOM 30 C GLY A 503 -1.505 -4.816 1.008 1.00 61.33 C ATOM 31 O GLY A 503 -0.937 -4.468 2.025 1.00 2.34 O ATOM 0 H GLY A 503 0.659 -3.730 0.749 1.00 53.43 H new ATOM 0 HA2 GLY A 503 -1.622 -3.488 -0.648 1.00 41.11 H new ATOM 0 HA3 GLY A 503 -1.111 -5.113 -1.060 1.00 41.11 H new ATOM 35 N ILE A 504 -2.488 -5.685 0.993 1.00 45.11 N ATOM 36 CA ILE A 504 -3.167 -6.080 2.204 1.00 11.45 C ATOM 37 C ILE A 504 -3.083 -7.586 2.426 1.00 20.11 C ATOM 38 O ILE A 504 -3.423 -8.365 1.550 1.00 2.14 O ATOM 39 CB ILE A 504 -4.695 -5.651 2.191 1.00 4.21 C ATOM 40 CG1 ILE A 504 -4.905 -4.118 2.199 1.00 74.44 C ATOM 41 CG2 ILE A 504 -5.481 -6.290 3.317 1.00 0.23 C ATOM 42 CD1 ILE A 504 -4.638 -3.428 0.879 1.00 41.10 C ATOM 0 H ILE A 504 -2.838 -6.135 0.147 1.00 45.11 H new ATOM 0 HA ILE A 504 -2.659 -5.564 3.019 1.00 11.45 H new ATOM 0 HB ILE A 504 -5.081 -6.025 1.243 1.00 4.21 H new ATOM 0 HG12 ILE A 504 -5.932 -3.909 2.500 1.00 74.44 H new ATOM 0 HG13 ILE A 504 -4.255 -3.682 2.958 1.00 74.44 H new ATOM 0 HG21 ILE A 504 -6.520 -5.965 3.265 1.00 0.23 H new ATOM 0 HG22 ILE A 504 -5.434 -7.375 3.223 1.00 0.23 H new ATOM 0 HG23 ILE A 504 -5.055 -5.990 4.274 1.00 0.23 H new ATOM 0 HD11 ILE A 504 -4.812 -2.357 0.986 1.00 41.10 H new ATOM 0 HD12 ILE A 504 -3.603 -3.599 0.582 1.00 41.10 H new ATOM 0 HD13 ILE A 504 -5.306 -3.830 0.117 1.00 41.10 H new ATOM 54 N PHE A 505 -2.580 -7.969 3.574 1.00 22.55 N ATOM 55 CA PHE A 505 -2.629 -9.349 4.025 1.00 52.14 C ATOM 56 C PHE A 505 -3.641 -9.465 5.139 1.00 71.24 C ATOM 57 O PHE A 505 -3.554 -8.734 6.129 1.00 51.35 O ATOM 58 CB PHE A 505 -1.272 -9.842 4.531 1.00 13.33 C ATOM 59 CG PHE A 505 -0.298 -10.178 3.457 1.00 34.13 C ATOM 60 CD1 PHE A 505 -0.420 -11.368 2.774 1.00 52.31 C ATOM 61 CD2 PHE A 505 0.738 -9.325 3.134 1.00 71.22 C ATOM 62 CE1 PHE A 505 0.464 -11.709 1.789 1.00 64.33 C ATOM 63 CE2 PHE A 505 1.637 -9.662 2.144 1.00 64.01 C ATOM 64 CZ PHE A 505 1.496 -10.863 1.470 1.00 62.40 C ATOM 0 H PHE A 505 -2.122 -7.334 4.228 1.00 22.55 H new ATOM 0 HA PHE A 505 -2.910 -9.968 3.173 1.00 52.14 H new ATOM 0 HB2 PHE A 505 -0.837 -9.075 5.172 1.00 13.33 H new ATOM 0 HB3 PHE A 505 -1.428 -10.725 5.151 1.00 13.33 H new ATOM 0 HD1 PHE A 505 -1.227 -12.042 3.021 1.00 52.31 H new ATOM 0 HD2 PHE A 505 0.845 -8.388 3.660 1.00 71.22 H new ATOM 0 HE1 PHE A 505 0.350 -12.645 1.262 1.00 64.33 H new ATOM 0 HE2 PHE A 505 2.447 -8.992 1.896 1.00 64.01 H new ATOM 0 HZ PHE A 505 2.197 -11.134 0.694 1.00 62.40 H new ATOM 74 N THR A 506 -4.602 -10.337 4.989 1.00 73.10 N ATOM 75 CA THR A 506 -5.609 -10.523 6.003 1.00 14.45 C ATOM 76 C THR A 506 -6.411 -11.784 5.697 1.00 75.30 C ATOM 77 O THR A 506 -6.234 -12.397 4.643 1.00 2.12 O ATOM 78 CB THR A 506 -6.553 -9.274 6.107 1.00 5.22 C ATOM 79 OG1 THR A 506 -7.452 -9.406 7.238 1.00 63.42 O ATOM 80 CG2 THR A 506 -7.364 -9.099 4.823 1.00 64.43 C ATOM 0 H THR A 506 -4.710 -10.934 4.169 1.00 73.10 H new ATOM 0 HA THR A 506 -5.115 -10.636 6.968 1.00 14.45 H new ATOM 0 HB THR A 506 -5.928 -8.393 6.251 1.00 5.22 H new ATOM 0 HG1 THR A 506 -7.173 -8.794 7.951 1.00 63.42 H new ATOM 0 HG21 THR A 506 -8.011 -8.227 4.918 1.00 64.43 H new ATOM 0 HG22 THR A 506 -6.686 -8.958 3.981 1.00 64.43 H new ATOM 0 HG23 THR A 506 -7.973 -9.987 4.654 1.00 64.43 H new ATOM 88 N PHE A 507 -7.266 -12.167 6.606 1.00 65.15 N ATOM 89 CA PHE A 507 -8.086 -13.333 6.431 1.00 30.30 C ATOM 90 C PHE A 507 -9.217 -13.063 5.454 1.00 72.32 C ATOM 91 O PHE A 507 -9.748 -11.945 5.397 1.00 75.53 O ATOM 92 CB PHE A 507 -8.628 -13.803 7.769 1.00 22.43 C ATOM 93 CG PHE A 507 -7.600 -14.447 8.637 1.00 71.43 C ATOM 94 CD1 PHE A 507 -7.242 -15.758 8.418 1.00 65.24 C ATOM 95 CD2 PHE A 507 -7.011 -13.758 9.679 1.00 3.45 C ATOM 96 CE1 PHE A 507 -6.319 -16.380 9.214 1.00 63.55 C ATOM 97 CE2 PHE A 507 -6.077 -14.370 10.484 1.00 51.35 C ATOM 98 CZ PHE A 507 -5.731 -15.686 10.253 1.00 24.10 C ATOM 0 H PHE A 507 -7.413 -11.679 7.489 1.00 65.15 H new ATOM 0 HA PHE A 507 -7.467 -14.126 6.011 1.00 30.30 H new ATOM 0 HB2 PHE A 507 -9.056 -12.951 8.298 1.00 22.43 H new ATOM 0 HB3 PHE A 507 -9.439 -14.510 7.595 1.00 22.43 H new ATOM 0 HD1 PHE A 507 -7.697 -16.304 7.605 1.00 65.24 H new ATOM 0 HD2 PHE A 507 -7.286 -12.730 9.864 1.00 3.45 H new ATOM 0 HE1 PHE A 507 -6.051 -17.410 9.030 1.00 63.55 H new ATOM 0 HE2 PHE A 507 -5.617 -13.823 11.293 1.00 51.35 H new ATOM 0 HZ PHE A 507 -5.002 -16.172 10.884 1.00 24.10 H new ATOM 108 N GLU A 508 -9.569 -14.079 4.678 1.00 0.32 N ATOM 109 CA GLU A 508 -10.631 -13.987 3.689 1.00 63.53 C ATOM 110 C GLU A 508 -11.978 -13.784 4.383 1.00 25.13 C ATOM 111 O GLU A 508 -12.890 -13.139 3.850 1.00 23.33 O ATOM 112 CB GLU A 508 -10.650 -15.269 2.872 1.00 53.14 C ATOM 113 CG GLU A 508 -11.588 -15.254 1.701 1.00 52.11 C ATOM 114 CD GLU A 508 -11.615 -16.576 0.987 1.00 15.14 C ATOM 115 OE1 GLU A 508 -12.385 -17.475 1.398 1.00 70.54 O ATOM 116 OE2 GLU A 508 -10.873 -16.745 0.006 1.00 40.14 O ATOM 0 H GLU A 508 -9.122 -14.995 4.718 1.00 0.32 H new ATOM 0 HA GLU A 508 -10.451 -13.136 3.032 1.00 63.53 H new ATOM 0 HB2 GLU A 508 -9.641 -15.467 2.509 1.00 53.14 H new ATOM 0 HB3 GLU A 508 -10.922 -16.097 3.527 1.00 53.14 H new ATOM 0 HG2 GLU A 508 -12.593 -15.006 2.044 1.00 52.11 H new ATOM 0 HG3 GLU A 508 -11.287 -14.471 1.005 1.00 52.11 H new ATOM 123 N GLU A 509 -12.073 -14.305 5.567 1.00 40.15 N ATOM 124 CA GLU A 509 -13.245 -14.205 6.372 1.00 35.23 C ATOM 125 C GLU A 509 -12.805 -13.914 7.798 1.00 55.25 C ATOM 126 O GLU A 509 -11.765 -14.395 8.213 1.00 74.13 O ATOM 127 CB GLU A 509 -14.068 -15.506 6.250 1.00 4.41 C ATOM 128 CG GLU A 509 -13.302 -16.779 6.573 1.00 3.04 C ATOM 129 CD GLU A 509 -13.992 -18.028 6.056 1.00 62.42 C ATOM 130 OE1 GLU A 509 -13.752 -18.396 4.899 1.00 52.53 O ATOM 131 OE2 GLU A 509 -14.770 -18.666 6.793 1.00 60.12 O ATOM 0 H GLU A 509 -11.315 -14.825 6.010 1.00 40.15 H new ATOM 0 HA GLU A 509 -13.895 -13.395 6.042 1.00 35.23 H new ATOM 0 HB2 GLU A 509 -14.929 -15.438 6.915 1.00 4.41 H new ATOM 0 HB3 GLU A 509 -14.455 -15.580 5.234 1.00 4.41 H new ATOM 0 HG2 GLU A 509 -12.303 -16.716 6.141 1.00 3.04 H new ATOM 0 HG3 GLU A 509 -13.178 -16.859 7.653 1.00 3.04 H new ATOM 138 N PRO A 510 -13.535 -13.063 8.533 1.00 62.44 N ATOM 139 CA PRO A 510 -13.184 -12.705 9.924 1.00 22.41 C ATOM 140 C PRO A 510 -13.488 -13.850 10.895 1.00 43.53 C ATOM 141 O PRO A 510 -12.899 -13.966 11.983 1.00 13.21 O ATOM 142 CB PRO A 510 -14.093 -11.504 10.215 1.00 40.14 C ATOM 143 CG PRO A 510 -15.268 -11.685 9.304 1.00 55.34 C ATOM 144 CD PRO A 510 -14.739 -12.351 8.061 1.00 70.45 C ATOM 0 HA PRO A 510 -12.122 -12.491 10.045 1.00 22.41 H new ATOM 0 HB2 PRO A 510 -14.402 -11.486 11.260 1.00 40.14 H new ATOM 0 HB3 PRO A 510 -13.580 -10.563 10.017 1.00 40.14 H new ATOM 0 HG2 PRO A 510 -16.036 -12.297 9.777 1.00 55.34 H new ATOM 0 HG3 PRO A 510 -15.727 -10.726 9.066 1.00 55.34 H new ATOM 0 HD2 PRO A 510 -15.469 -13.038 7.633 1.00 70.45 H new ATOM 0 HD3 PRO A 510 -14.496 -11.622 7.288 1.00 70.45 H new ATOM 152 N VAL A 511 -14.412 -14.681 10.493 1.00 4.33 N ATOM 153 CA VAL A 511 -14.835 -15.824 11.244 1.00 45.31 C ATOM 154 C VAL A 511 -14.926 -16.966 10.273 1.00 12.44 C ATOM 155 O VAL A 511 -15.471 -16.796 9.187 1.00 55.45 O ATOM 156 CB VAL A 511 -16.243 -15.605 11.880 1.00 4.01 C ATOM 157 CG1 VAL A 511 -16.662 -16.801 12.710 1.00 43.34 C ATOM 158 CG2 VAL A 511 -16.283 -14.346 12.723 1.00 61.15 C ATOM 0 H VAL A 511 -14.904 -14.574 9.606 1.00 4.33 H new ATOM 0 HA VAL A 511 -14.129 -16.013 12.052 1.00 45.31 H new ATOM 0 HB VAL A 511 -16.950 -15.488 11.059 1.00 4.01 H new ATOM 0 HG11 VAL A 511 -17.647 -16.618 13.140 1.00 43.34 H new ATOM 0 HG12 VAL A 511 -16.701 -17.687 12.077 1.00 43.34 H new ATOM 0 HG13 VAL A 511 -15.940 -16.959 13.511 1.00 43.34 H new ATOM 0 HG21 VAL A 511 -17.279 -14.226 13.150 1.00 61.15 H new ATOM 0 HG22 VAL A 511 -15.550 -14.423 13.526 1.00 61.15 H new ATOM 0 HG23 VAL A 511 -16.049 -13.483 12.100 1.00 61.15 H new ATOM 168 N THR A 512 -14.400 -18.090 10.630 1.00 22.54 N ATOM 169 CA THR A 512 -14.455 -19.232 9.797 1.00 41.00 C ATOM 170 C THR A 512 -15.075 -20.352 10.601 1.00 32.20 C ATOM 171 O THR A 512 -14.853 -20.467 11.824 1.00 32.21 O ATOM 172 CB THR A 512 -13.052 -19.637 9.222 1.00 45.01 C ATOM 173 OG1 THR A 512 -13.205 -20.573 8.147 1.00 52.54 O ATOM 174 CG2 THR A 512 -12.162 -20.246 10.287 1.00 70.44 C ATOM 0 H THR A 512 -13.917 -18.237 11.516 1.00 22.54 H new ATOM 0 HA THR A 512 -15.063 -19.009 8.920 1.00 41.00 H new ATOM 0 HB THR A 512 -12.579 -18.725 8.857 1.00 45.01 H new ATOM 0 HG1 THR A 512 -13.784 -20.187 7.457 1.00 52.54 H new ATOM 0 HG21 THR A 512 -11.200 -20.513 9.849 1.00 70.44 H new ATOM 0 HG22 THR A 512 -12.008 -19.524 11.089 1.00 70.44 H new ATOM 0 HG23 THR A 512 -12.637 -21.140 10.691 1.00 70.44 H new ATOM 182 N HIS A 513 -15.886 -21.114 9.977 1.00 55.14 N ATOM 183 CA HIS A 513 -16.539 -22.167 10.652 1.00 31.40 C ATOM 184 C HIS A 513 -15.974 -23.455 10.136 1.00 61.44 C ATOM 185 O HIS A 513 -15.732 -23.603 8.931 1.00 1.24 O ATOM 186 CB HIS A 513 -18.019 -22.092 10.387 1.00 34.13 C ATOM 187 CG HIS A 513 -18.857 -22.990 11.216 1.00 74.12 C ATOM 188 ND1 HIS A 513 -19.162 -24.286 10.879 1.00 63.42 N ATOM 189 CD2 HIS A 513 -19.498 -22.741 12.365 1.00 3.14 C ATOM 190 CE1 HIS A 513 -19.968 -24.772 11.810 1.00 55.11 C ATOM 191 NE2 HIS A 513 -20.205 -23.864 12.743 1.00 23.35 N ATOM 0 H HIS A 513 -16.117 -21.028 8.987 1.00 55.14 H new ATOM 0 HA HIS A 513 -16.385 -22.098 11.729 1.00 31.40 H new ATOM 0 HB2 HIS A 513 -18.348 -21.065 10.546 1.00 34.13 H new ATOM 0 HB3 HIS A 513 -18.196 -22.324 9.337 1.00 34.13 H new ATOM 0 HD1 HIS A 513 -18.826 -24.786 10.056 1.00 63.42 H new ATOM 0 HD2 HIS A 513 -19.467 -21.809 12.910 1.00 3.14 H new ATOM 0 HE1 HIS A 513 -20.376 -25.772 11.808 1.00 55.11 H new ATOM 199 N VAL A 514 -15.738 -24.356 11.009 1.00 41.23 N ATOM 200 CA VAL A 514 -15.181 -25.613 10.651 1.00 15.35 C ATOM 201 C VAL A 514 -15.989 -26.712 11.296 1.00 32.25 C ATOM 202 O VAL A 514 -16.726 -26.484 12.266 1.00 64.25 O ATOM 203 CB VAL A 514 -13.665 -25.739 11.042 1.00 23.13 C ATOM 204 CG1 VAL A 514 -12.846 -24.599 10.455 1.00 63.53 C ATOM 205 CG2 VAL A 514 -13.462 -25.810 12.542 1.00 64.32 C ATOM 0 H VAL A 514 -15.926 -24.247 12.006 1.00 41.23 H new ATOM 0 HA VAL A 514 -15.225 -25.702 9.566 1.00 15.35 H new ATOM 0 HB VAL A 514 -13.313 -26.679 10.616 1.00 23.13 H new ATOM 0 HG11 VAL A 514 -11.801 -24.715 10.744 1.00 63.53 H new ATOM 0 HG12 VAL A 514 -12.926 -24.616 9.368 1.00 63.53 H new ATOM 0 HG13 VAL A 514 -13.223 -23.648 10.832 1.00 63.53 H new ATOM 0 HG21 VAL A 514 -12.398 -25.896 12.761 1.00 64.32 H new ATOM 0 HG22 VAL A 514 -13.856 -24.906 13.006 1.00 64.32 H new ATOM 0 HG23 VAL A 514 -13.986 -26.679 12.939 1.00 64.32 H new ATOM 215 N SER A 515 -15.890 -27.859 10.734 1.00 71.42 N ATOM 216 CA SER A 515 -16.539 -29.009 11.202 1.00 60.15 C ATOM 217 C SER A 515 -15.666 -29.698 12.255 1.00 53.42 C ATOM 218 O SER A 515 -14.520 -29.293 12.464 1.00 51.31 O ATOM 219 CB SER A 515 -16.738 -29.869 9.997 1.00 65.42 C ATOM 220 OG SER A 515 -17.493 -29.167 9.019 1.00 62.34 O ATOM 0 H SER A 515 -15.328 -28.021 9.899 1.00 71.42 H new ATOM 0 HA SER A 515 -17.493 -28.792 11.682 1.00 60.15 H new ATOM 0 HB2 SER A 515 -15.772 -30.159 9.584 1.00 65.42 H new ATOM 0 HB3 SER A 515 -17.254 -30.787 10.277 1.00 65.42 H new ATOM 0 HG SER A 515 -17.618 -29.737 8.231 1.00 62.34 H new ATOM 226 N GLU A 516 -16.176 -30.725 12.897 1.00 75.33 N ATOM 227 CA GLU A 516 -15.414 -31.376 13.932 1.00 53.35 C ATOM 228 C GLU A 516 -14.652 -32.564 13.351 1.00 21.55 C ATOM 229 O GLU A 516 -13.422 -32.589 13.361 1.00 62.25 O ATOM 230 CB GLU A 516 -16.326 -31.783 15.079 1.00 13.25 C ATOM 231 CG GLU A 516 -15.620 -32.378 16.273 1.00 31.25 C ATOM 232 CD GLU A 516 -16.587 -32.700 17.370 1.00 23.43 C ATOM 233 OE1 GLU A 516 -17.212 -33.783 17.336 1.00 11.02 O ATOM 234 OE2 GLU A 516 -16.778 -31.856 18.266 1.00 72.44 O ATOM 0 H GLU A 516 -17.100 -31.120 12.723 1.00 75.33 H new ATOM 0 HA GLU A 516 -14.678 -30.681 14.335 1.00 53.35 H new ATOM 0 HB2 GLU A 516 -16.887 -30.907 15.406 1.00 13.25 H new ATOM 0 HB3 GLU A 516 -17.052 -32.506 14.707 1.00 13.25 H new ATOM 0 HG2 GLU A 516 -15.092 -33.283 15.973 1.00 31.25 H new ATOM 0 HG3 GLU A 516 -14.869 -31.678 16.640 1.00 31.25 H new ATOM 241 N SER A 517 -15.364 -33.503 12.783 1.00 33.54 N ATOM 242 CA SER A 517 -14.753 -34.673 12.167 1.00 23.33 C ATOM 243 C SER A 517 -14.329 -34.344 10.715 1.00 13.04 C ATOM 244 O SER A 517 -14.722 -35.019 9.751 1.00 35.12 O ATOM 245 CB SER A 517 -15.758 -35.819 12.197 1.00 44.35 C ATOM 246 OG SER A 517 -16.259 -35.992 13.515 1.00 63.55 O ATOM 0 H SER A 517 -16.382 -33.487 12.730 1.00 33.54 H new ATOM 0 HA SER A 517 -13.859 -34.966 12.717 1.00 23.33 H new ATOM 0 HB2 SER A 517 -16.579 -35.611 11.511 1.00 44.35 H new ATOM 0 HB3 SER A 517 -15.283 -36.739 11.856 1.00 44.35 H new ATOM 0 HG SER A 517 -16.905 -36.729 13.525 1.00 63.55 H new ATOM 252 N ILE A 518 -13.553 -33.288 10.575 1.00 24.43 N ATOM 253 CA ILE A 518 -13.078 -32.823 9.281 1.00 24.52 C ATOM 254 C ILE A 518 -11.618 -33.215 9.046 1.00 72.14 C ATOM 255 O ILE A 518 -11.208 -33.485 7.920 1.00 21.32 O ATOM 256 CB ILE A 518 -13.238 -31.277 9.167 1.00 43.30 C ATOM 257 CG1 ILE A 518 -12.754 -30.733 7.817 1.00 31.21 C ATOM 258 CG2 ILE A 518 -12.545 -30.559 10.319 1.00 54.31 C ATOM 259 CD1 ILE A 518 -12.912 -29.236 7.671 1.00 60.25 C ATOM 0 H ILE A 518 -13.230 -32.722 11.360 1.00 24.43 H new ATOM 0 HA ILE A 518 -13.685 -33.304 8.514 1.00 24.52 H new ATOM 0 HB ILE A 518 -14.307 -31.073 9.230 1.00 43.30 H new ATOM 0 HG12 ILE A 518 -11.703 -30.993 7.687 1.00 31.21 H new ATOM 0 HG13 ILE A 518 -13.306 -31.227 7.018 1.00 31.21 H new ATOM 0 HG21 ILE A 518 -12.676 -29.483 10.208 1.00 54.31 H new ATOM 0 HG22 ILE A 518 -12.981 -30.883 11.264 1.00 54.31 H new ATOM 0 HG23 ILE A 518 -11.482 -30.798 10.309 1.00 54.31 H new ATOM 0 HD11 ILE A 518 -12.548 -28.926 6.691 1.00 60.25 H new ATOM 0 HD12 ILE A 518 -13.965 -28.970 7.768 1.00 60.25 H new ATOM 0 HD13 ILE A 518 -12.337 -28.732 8.448 1.00 60.25 H new ATOM 271 N GLY A 519 -10.849 -33.264 10.101 1.00 34.12 N ATOM 272 CA GLY A 519 -9.457 -33.544 9.975 1.00 75.45 C ATOM 273 C GLY A 519 -8.658 -32.289 9.868 1.00 32.30 C ATOM 274 O GLY A 519 -8.109 -31.817 10.846 1.00 52.42 O ATOM 0 H GLY A 519 -11.171 -33.112 11.057 1.00 34.12 H new ATOM 0 HA2 GLY A 519 -9.120 -34.119 10.837 1.00 75.45 H new ATOM 0 HA3 GLY A 519 -9.287 -34.162 9.093 1.00 75.45 H new ATOM 278 N ILE A 520 -8.653 -31.705 8.710 1.00 74.43 N ATOM 279 CA ILE A 520 -7.853 -30.528 8.461 1.00 1.41 C ATOM 280 C ILE A 520 -8.729 -29.456 7.905 1.00 12.31 C ATOM 281 O ILE A 520 -9.413 -29.664 6.893 1.00 24.01 O ATOM 282 CB ILE A 520 -6.699 -30.799 7.443 1.00 21.12 C ATOM 283 CG1 ILE A 520 -5.717 -31.858 7.955 1.00 53.25 C ATOM 284 CG2 ILE A 520 -5.950 -29.507 7.081 1.00 33.33 C ATOM 285 CD1 ILE A 520 -4.944 -31.452 9.190 1.00 22.05 C ATOM 0 H ILE A 520 -9.198 -32.023 7.908 1.00 74.43 H new ATOM 0 HA ILE A 520 -7.405 -30.228 9.409 1.00 1.41 H new ATOM 0 HB ILE A 520 -7.168 -31.188 6.540 1.00 21.12 H new ATOM 0 HG12 ILE A 520 -6.269 -32.773 8.172 1.00 53.25 H new ATOM 0 HG13 ILE A 520 -5.009 -32.094 7.160 1.00 53.25 H new ATOM 0 HG21 ILE A 520 -5.155 -29.734 6.371 1.00 33.33 H new ATOM 0 HG22 ILE A 520 -6.645 -28.797 6.632 1.00 33.33 H new ATOM 0 HG23 ILE A 520 -5.518 -29.072 7.982 1.00 33.33 H new ATOM 0 HD11 ILE A 520 -4.274 -32.261 9.482 1.00 22.05 H new ATOM 0 HD12 ILE A 520 -4.361 -30.556 8.976 1.00 22.05 H new ATOM 0 HD13 ILE A 520 -5.640 -31.246 10.003 1.00 22.05 H new ATOM 297 N MET A 521 -8.733 -28.343 8.550 1.00 63.41 N ATOM 298 CA MET A 521 -9.460 -27.214 8.068 1.00 30.05 C ATOM 299 C MET A 521 -8.463 -26.259 7.471 1.00 51.02 C ATOM 300 O MET A 521 -7.291 -26.242 7.896 1.00 72.33 O ATOM 301 CB MET A 521 -10.272 -26.562 9.198 1.00 75.11 C ATOM 302 CG MET A 521 -9.491 -25.780 10.255 1.00 52.55 C ATOM 303 SD MET A 521 -9.096 -24.103 9.707 1.00 52.04 S ATOM 304 CE MET A 521 -8.433 -23.396 11.197 1.00 54.41 C ATOM 0 H MET A 521 -8.234 -28.186 9.426 1.00 63.41 H new ATOM 0 HA MET A 521 -10.183 -27.515 7.309 1.00 30.05 H new ATOM 0 HB2 MET A 521 -10.999 -25.887 8.746 1.00 75.11 H new ATOM 0 HB3 MET A 521 -10.836 -27.345 9.705 1.00 75.11 H new ATOM 0 HG2 MET A 521 -10.074 -25.732 11.175 1.00 52.55 H new ATOM 0 HG3 MET A 521 -8.568 -26.311 10.490 1.00 52.55 H new ATOM 0 HE1 MET A 521 -8.981 -22.487 11.443 1.00 54.41 H new ATOM 0 HE2 MET A 521 -8.531 -24.111 12.014 1.00 54.41 H new ATOM 0 HE3 MET A 521 -7.380 -23.156 11.049 1.00 54.41 H new ATOM 314 N GLU A 522 -8.881 -25.522 6.484 1.00 34.10 N ATOM 315 CA GLU A 522 -8.038 -24.564 5.834 1.00 22.35 C ATOM 316 C GLU A 522 -8.722 -23.234 5.718 1.00 74.14 C ATOM 317 O GLU A 522 -9.894 -23.145 5.331 1.00 33.12 O ATOM 318 CB GLU A 522 -7.611 -25.052 4.465 1.00 62.00 C ATOM 319 CG GLU A 522 -6.519 -26.093 4.493 1.00 2.31 C ATOM 320 CD GLU A 522 -6.290 -26.690 3.147 1.00 31.22 C ATOM 321 OE1 GLU A 522 -5.492 -26.135 2.354 1.00 31.44 O ATOM 322 OE2 GLU A 522 -6.928 -27.715 2.834 1.00 21.52 O ATOM 0 H GLU A 522 -9.826 -25.570 6.104 1.00 34.10 H new ATOM 0 HA GLU A 522 -7.147 -24.442 6.450 1.00 22.35 H new ATOM 0 HB2 GLU A 522 -8.479 -25.466 3.952 1.00 62.00 H new ATOM 0 HB3 GLU A 522 -7.270 -24.199 3.878 1.00 62.00 H new ATOM 0 HG2 GLU A 522 -5.595 -25.641 4.852 1.00 2.31 H new ATOM 0 HG3 GLU A 522 -6.784 -26.880 5.199 1.00 2.31 H new ATOM 329 N VAL A 523 -8.009 -22.215 6.079 1.00 2.31 N ATOM 330 CA VAL A 523 -8.489 -20.859 5.978 1.00 41.33 C ATOM 331 C VAL A 523 -7.681 -20.154 4.919 1.00 72.41 C ATOM 332 O VAL A 523 -6.451 -20.164 4.977 1.00 13.43 O ATOM 333 CB VAL A 523 -8.321 -20.112 7.311 1.00 51.02 C ATOM 334 CG1 VAL A 523 -8.936 -18.723 7.241 1.00 12.34 C ATOM 335 CG2 VAL A 523 -8.930 -20.916 8.433 1.00 34.35 C ATOM 0 H VAL A 523 -7.065 -22.294 6.458 1.00 2.31 H new ATOM 0 HA VAL A 523 -9.549 -20.873 5.724 1.00 41.33 H new ATOM 0 HB VAL A 523 -7.256 -19.990 7.508 1.00 51.02 H new ATOM 0 HG11 VAL A 523 -8.803 -18.217 8.197 1.00 12.34 H new ATOM 0 HG12 VAL A 523 -8.447 -18.148 6.455 1.00 12.34 H new ATOM 0 HG13 VAL A 523 -10.000 -18.807 7.020 1.00 12.34 H new ATOM 0 HG21 VAL A 523 -8.807 -20.379 9.374 1.00 34.35 H new ATOM 0 HG22 VAL A 523 -9.992 -21.067 8.238 1.00 34.35 H new ATOM 0 HG23 VAL A 523 -8.432 -21.883 8.499 1.00 34.35 H new ATOM 345 N LYS A 524 -8.358 -19.570 3.967 1.00 31.13 N ATOM 346 CA LYS A 524 -7.724 -18.897 2.856 1.00 15.11 C ATOM 347 C LYS A 524 -7.314 -17.487 3.289 1.00 33.12 C ATOM 348 O LYS A 524 -8.116 -16.739 3.863 1.00 64.13 O ATOM 349 CB LYS A 524 -8.709 -18.832 1.679 1.00 41.34 C ATOM 350 CG LYS A 524 -9.240 -20.195 1.232 1.00 53.10 C ATOM 351 CD LYS A 524 -8.247 -20.953 0.359 1.00 70.12 C ATOM 352 CE LYS A 524 -8.488 -20.704 -1.124 1.00 1.53 C ATOM 353 NZ LYS A 524 -9.777 -21.277 -1.584 1.00 3.02 N ATOM 0 H LYS A 524 -9.377 -19.546 3.937 1.00 31.13 H new ATOM 0 HA LYS A 524 -6.834 -19.443 2.543 1.00 15.11 H new ATOM 0 HB2 LYS A 524 -9.552 -18.200 1.959 1.00 41.34 H new ATOM 0 HB3 LYS A 524 -8.217 -18.351 0.834 1.00 41.34 H new ATOM 0 HG2 LYS A 524 -9.477 -20.795 2.111 1.00 53.10 H new ATOM 0 HG3 LYS A 524 -10.170 -20.056 0.681 1.00 53.10 H new ATOM 0 HD2 LYS A 524 -7.232 -20.651 0.617 1.00 70.12 H new ATOM 0 HD3 LYS A 524 -8.324 -22.021 0.565 1.00 70.12 H new ATOM 0 HE2 LYS A 524 -8.479 -19.631 -1.317 1.00 1.53 H new ATOM 0 HE3 LYS A 524 -7.672 -21.139 -1.701 1.00 1.53 H new ATOM 0 HZ1 LYS A 524 -9.732 -21.456 -2.608 1.00 3.02 H new ATOM 0 HZ2 LYS A 524 -9.958 -22.171 -1.084 1.00 3.02 H new ATOM 0 HZ3 LYS A 524 -10.546 -20.607 -1.383 1.00 3.02 H new ATOM 367 N VAL A 525 -6.084 -17.143 3.057 1.00 32.13 N ATOM 368 CA VAL A 525 -5.587 -15.835 3.432 1.00 75.40 C ATOM 369 C VAL A 525 -5.430 -14.969 2.195 1.00 74.24 C ATOM 370 O VAL A 525 -4.818 -15.392 1.210 1.00 21.44 O ATOM 371 CB VAL A 525 -4.234 -15.935 4.184 1.00 51.12 C ATOM 372 CG1 VAL A 525 -3.742 -14.565 4.639 1.00 13.24 C ATOM 373 CG2 VAL A 525 -4.359 -16.862 5.371 1.00 0.00 C ATOM 0 H VAL A 525 -5.395 -17.747 2.608 1.00 32.13 H new ATOM 0 HA VAL A 525 -6.312 -15.380 4.107 1.00 75.40 H new ATOM 0 HB VAL A 525 -3.500 -16.341 3.488 1.00 51.12 H new ATOM 0 HG11 VAL A 525 -2.792 -14.675 5.162 1.00 13.24 H new ATOM 0 HG12 VAL A 525 -3.606 -13.920 3.771 1.00 13.24 H new ATOM 0 HG13 VAL A 525 -4.476 -14.119 5.310 1.00 13.24 H new ATOM 0 HG21 VAL A 525 -3.401 -16.922 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -5.117 -16.479 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -4.649 -17.855 5.028 1.00 0.00 H new ATOM 383 N LEU A 526 -5.986 -13.779 2.251 1.00 62.04 N ATOM 384 CA LEU A 526 -5.927 -12.836 1.159 1.00 2.20 C ATOM 385 C LEU A 526 -4.517 -12.296 1.041 1.00 12.04 C ATOM 386 O LEU A 526 -3.934 -11.827 2.034 1.00 13.10 O ATOM 387 CB LEU A 526 -6.926 -11.688 1.386 1.00 14.30 C ATOM 388 CG LEU A 526 -8.418 -12.068 1.387 1.00 10.12 C ATOM 389 CD1 LEU A 526 -9.265 -10.878 1.802 1.00 23.44 C ATOM 390 CD2 LEU A 526 -8.844 -12.549 0.007 1.00 52.51 C ATOM 0 H LEU A 526 -6.497 -13.436 3.065 1.00 62.04 H new ATOM 0 HA LEU A 526 -6.198 -13.341 0.232 1.00 2.20 H new ATOM 0 HB2 LEU A 526 -6.693 -11.216 2.341 1.00 14.30 H new ATOM 0 HB3 LEU A 526 -6.765 -10.937 0.612 1.00 14.30 H new ATOM 0 HG LEU A 526 -8.567 -12.876 2.104 1.00 10.12 H new ATOM 0 HD11 LEU A 526 -10.317 -11.161 1.798 1.00 23.44 H new ATOM 0 HD12 LEU A 526 -8.979 -10.559 2.804 1.00 23.44 H new ATOM 0 HD13 LEU A 526 -9.108 -10.058 1.102 1.00 23.44 H new ATOM 0 HD21 LEU A 526 -9.901 -12.814 0.024 1.00 52.51 H new ATOM 0 HD22 LEU A 526 -8.681 -11.755 -0.722 1.00 52.51 H new ATOM 0 HD23 LEU A 526 -8.256 -13.423 -0.271 1.00 52.51 H new ATOM 402 N ARG A 527 -3.967 -12.392 -0.146 1.00 52.41 N ATOM 403 CA ARG A 527 -2.630 -11.954 -0.401 1.00 21.21 C ATOM 404 C ARG A 527 -2.649 -10.482 -0.766 1.00 31.13 C ATOM 405 O ARG A 527 -3.688 -9.952 -1.163 1.00 61.30 O ATOM 406 CB ARG A 527 -2.012 -12.790 -1.540 1.00 12.41 C ATOM 407 CG ARG A 527 -0.516 -12.557 -1.779 1.00 63.32 C ATOM 408 CD ARG A 527 0.023 -13.456 -2.878 1.00 52.02 C ATOM 409 NE ARG A 527 -0.343 -14.852 -2.643 1.00 32.14 N ATOM 410 CZ ARG A 527 0.489 -15.880 -2.512 1.00 42.23 C ATOM 411 NH1 ARG A 527 1.766 -15.757 -2.808 1.00 65.04 N ATOM 412 NH2 ARG A 527 0.009 -17.073 -2.143 1.00 14.41 N ATOM 0 H ARG A 527 -4.443 -12.779 -0.961 1.00 52.41 H new ATOM 0 HA ARG A 527 -2.020 -12.090 0.492 1.00 21.21 H new ATOM 0 HB2 ARG A 527 -2.169 -13.846 -1.321 1.00 12.41 H new ATOM 0 HB3 ARG A 527 -2.550 -12.572 -2.463 1.00 12.41 H new ATOM 0 HG2 ARG A 527 -0.348 -11.514 -2.047 1.00 63.32 H new ATOM 0 HG3 ARG A 527 0.033 -12.741 -0.856 1.00 63.32 H new ATOM 0 HD2 ARG A 527 -0.368 -13.132 -3.842 1.00 52.02 H new ATOM 0 HD3 ARG A 527 1.108 -13.365 -2.927 1.00 52.02 H new ATOM 0 HE ARG A 527 -1.339 -15.058 -2.572 1.00 32.14 H new ATOM 0 HH11 ARG A 527 2.128 -14.864 -3.143 1.00 65.04 H new ATOM 0 HH12 ARG A 527 2.393 -16.555 -2.703 1.00 65.04 H new ATOM 0 HH21 ARG A 527 -0.989 -17.188 -1.965 1.00 14.41 H new ATOM 0 HH22 ARG A 527 0.641 -17.867 -2.040 1.00 14.41 H new ATOM 426 N THR A 528 -1.511 -9.854 -0.630 1.00 14.23 N ATOM 427 CA THR A 528 -1.309 -8.470 -0.937 1.00 34.43 C ATOM 428 C THR A 528 -1.699 -8.144 -2.387 1.00 23.33 C ATOM 429 O THR A 528 -1.483 -8.951 -3.304 1.00 13.43 O ATOM 430 CB THR A 528 0.186 -8.104 -0.691 1.00 61.52 C ATOM 431 OG1 THR A 528 0.488 -6.806 -1.154 1.00 63.05 O ATOM 432 CG2 THR A 528 1.105 -9.084 -1.367 1.00 2.41 C ATOM 0 H THR A 528 -0.668 -10.315 -0.288 1.00 14.23 H new ATOM 0 HA THR A 528 -1.952 -7.878 -0.286 1.00 34.43 H new ATOM 0 HB THR A 528 0.340 -8.143 0.387 1.00 61.52 H new ATOM 0 HG1 THR A 528 1.220 -6.853 -1.804 1.00 63.05 H new ATOM 0 HG21 THR A 528 2.141 -8.802 -1.177 1.00 2.41 H new ATOM 0 HG22 THR A 528 0.923 -10.084 -0.974 1.00 2.41 H new ATOM 0 HG23 THR A 528 0.918 -9.077 -2.441 1.00 2.41 H new ATOM 440 N SER A 529 -2.304 -6.970 -2.555 1.00 44.31 N ATOM 441 CA SER A 529 -2.688 -6.428 -3.841 1.00 21.13 C ATOM 442 C SER A 529 -1.460 -6.386 -4.763 1.00 51.41 C ATOM 443 O SER A 529 -1.541 -6.672 -5.967 1.00 64.41 O ATOM 444 CB SER A 529 -3.239 -5.006 -3.618 1.00 73.43 C ATOM 445 OG SER A 529 -3.702 -4.406 -4.818 1.00 0.42 O ATOM 0 H SER A 529 -2.544 -6.359 -1.774 1.00 44.31 H new ATOM 0 HA SER A 529 -3.452 -7.049 -4.309 1.00 21.13 H new ATOM 0 HB2 SER A 529 -4.056 -5.046 -2.897 1.00 73.43 H new ATOM 0 HB3 SER A 529 -2.459 -4.382 -3.182 1.00 73.43 H new ATOM 0 HG SER A 529 -4.042 -3.508 -4.624 1.00 0.42 H new ATOM 451 N GLY A 530 -0.332 -6.072 -4.176 1.00 1.21 N ATOM 452 CA GLY A 530 0.900 -6.021 -4.886 1.00 23.30 C ATOM 453 C GLY A 530 1.844 -7.003 -4.290 1.00 15.10 C ATOM 454 O GLY A 530 2.456 -6.731 -3.247 1.00 42.14 O ATOM 0 H GLY A 530 -0.253 -5.845 -3.185 1.00 1.21 H new ATOM 0 HA2 GLY A 530 0.737 -6.248 -5.940 1.00 23.30 H new ATOM 0 HA3 GLY A 530 1.321 -5.017 -4.837 1.00 23.30 H new ATOM 458 N ALA A 531 1.912 -8.171 -4.868 1.00 31.53 N ATOM 459 CA ALA A 531 2.807 -9.179 -4.387 1.00 75.11 C ATOM 460 C ALA A 531 4.143 -8.950 -5.018 1.00 14.53 C ATOM 461 O ALA A 531 4.354 -9.253 -6.186 1.00 33.13 O ATOM 462 CB ALA A 531 2.272 -10.574 -4.699 1.00 64.33 C ATOM 0 H ALA A 531 1.354 -8.446 -5.676 1.00 31.53 H new ATOM 0 HA ALA A 531 2.900 -9.115 -3.303 1.00 75.11 H new ATOM 0 HB1 ALA A 531 2.969 -11.323 -4.324 1.00 64.33 H new ATOM 0 HB2 ALA A 531 1.303 -10.708 -4.219 1.00 64.33 H new ATOM 0 HB3 ALA A 531 2.162 -10.689 -5.777 1.00 64.33 H new ATOM 468 N ARG A 532 5.023 -8.359 -4.269 1.00 61.43 N ATOM 469 CA ARG A 532 6.311 -8.006 -4.782 1.00 12.15 C ATOM 470 C ARG A 532 7.367 -8.909 -4.214 1.00 3.23 C ATOM 471 O ARG A 532 7.849 -8.682 -3.103 1.00 71.32 O ATOM 472 CB ARG A 532 6.647 -6.545 -4.456 1.00 11.03 C ATOM 473 CG ARG A 532 5.566 -5.541 -4.857 1.00 32.14 C ATOM 474 CD ARG A 532 5.282 -5.566 -6.346 1.00 34.25 C ATOM 475 NE ARG A 532 4.233 -4.609 -6.700 1.00 72.11 N ATOM 476 CZ ARG A 532 3.433 -4.698 -7.763 1.00 62.33 C ATOM 477 NH1 ARG A 532 3.542 -5.719 -8.611 1.00 35.12 N ATOM 478 NH2 ARG A 532 2.524 -3.761 -7.973 1.00 34.24 N ATOM 0 H ARG A 532 4.870 -8.109 -3.292 1.00 61.43 H new ATOM 0 HA ARG A 532 6.286 -8.125 -5.865 1.00 12.15 H new ATOM 0 HB2 ARG A 532 6.827 -6.457 -3.385 1.00 11.03 H new ATOM 0 HB3 ARG A 532 7.577 -6.278 -4.958 1.00 11.03 H new ATOM 0 HG2 ARG A 532 4.649 -5.760 -4.311 1.00 32.14 H new ATOM 0 HG3 ARG A 532 5.878 -4.538 -4.566 1.00 32.14 H new ATOM 0 HD2 ARG A 532 6.193 -5.332 -6.897 1.00 34.25 H new ATOM 0 HD3 ARG A 532 4.978 -6.569 -6.644 1.00 34.25 H new ATOM 0 HE ARG A 532 4.103 -3.808 -6.083 1.00 72.11 H new ATOM 0 HH11 ARG A 532 4.243 -6.443 -8.450 1.00 35.12 H new ATOM 0 HH12 ARG A 532 2.925 -5.777 -9.421 1.00 35.12 H new ATOM 0 HH21 ARG A 532 2.439 -2.978 -7.324 1.00 34.24 H new ATOM 0 HH22 ARG A 532 1.908 -3.821 -8.784 1.00 34.24 H new ATOM 492 N GLY A 533 7.652 -9.971 -4.915 1.00 14.41 N ATOM 493 CA GLY A 533 8.727 -10.815 -4.508 1.00 53.42 C ATOM 494 C GLY A 533 8.284 -11.834 -3.509 1.00 5.41 C ATOM 495 O GLY A 533 7.189 -12.382 -3.623 1.00 1.41 O ATOM 0 H GLY A 533 7.160 -10.265 -5.758 1.00 14.41 H new ATOM 0 HA2 GLY A 533 9.144 -11.318 -5.380 1.00 53.42 H new ATOM 0 HA3 GLY A 533 9.524 -10.208 -4.079 1.00 53.42 H new ATOM 499 N ASN A 534 9.098 -12.073 -2.519 1.00 15.52 N ATOM 500 CA ASN A 534 8.795 -13.069 -1.524 1.00 41.11 C ATOM 501 C ASN A 534 8.558 -12.427 -0.172 1.00 53.42 C ATOM 502 O ASN A 534 9.409 -11.703 0.351 1.00 3.52 O ATOM 503 CB ASN A 534 9.904 -14.141 -1.448 1.00 65.42 C ATOM 504 CG ASN A 534 9.608 -15.263 -0.440 1.00 71.31 C ATOM 505 OD1 ASN A 534 8.357 -15.605 -0.272 1.00 23.11 O flip ATOM 506 ND2 ASN A 534 10.515 -15.855 0.138 1.00 12.13 N flip ATOM 0 H ASN A 534 9.984 -11.588 -2.377 1.00 15.52 H new ATOM 0 HA ASN A 534 7.875 -13.571 -1.823 1.00 41.11 H new ATOM 0 HB2 ASN A 534 10.042 -14.579 -2.436 1.00 65.42 H new ATOM 0 HB3 ASN A 534 10.844 -13.660 -1.178 1.00 65.42 H new ATOM 0 HD21 ASN A 534 11.484 -15.571 -0.008 1.00 12.13 H new ATOM 0 HD22 ASN A 534 10.300 -16.631 0.764 1.00 12.13 H new ATOM 513 N VAL A 535 7.386 -12.655 0.354 1.00 52.33 N ATOM 514 CA VAL A 535 6.984 -12.173 1.648 1.00 4.51 C ATOM 515 C VAL A 535 6.560 -13.372 2.485 1.00 63.12 C ATOM 516 O VAL A 535 6.022 -14.342 1.951 1.00 12.35 O ATOM 517 CB VAL A 535 5.780 -11.198 1.505 1.00 60.10 C ATOM 518 CG1 VAL A 535 5.324 -10.656 2.853 1.00 21.41 C ATOM 519 CG2 VAL A 535 6.126 -10.063 0.557 1.00 61.02 C ATOM 0 H VAL A 535 6.663 -13.197 -0.119 1.00 52.33 H new ATOM 0 HA VAL A 535 7.811 -11.642 2.121 1.00 4.51 H new ATOM 0 HB VAL A 535 4.947 -11.763 1.086 1.00 60.10 H new ATOM 0 HG11 VAL A 535 4.482 -9.980 2.707 1.00 21.41 H new ATOM 0 HG12 VAL A 535 5.018 -11.483 3.493 1.00 21.41 H new ATOM 0 HG13 VAL A 535 6.145 -10.116 3.325 1.00 21.41 H new ATOM 0 HG21 VAL A 535 5.273 -9.390 0.468 1.00 61.02 H new ATOM 0 HG22 VAL A 535 6.983 -9.513 0.945 1.00 61.02 H new ATOM 0 HG23 VAL A 535 6.371 -10.470 -0.424 1.00 61.02 H new ATOM 529 N ILE A 536 6.843 -13.344 3.752 1.00 65.43 N ATOM 530 CA ILE A 536 6.424 -14.406 4.632 1.00 54.23 C ATOM 531 C ILE A 536 5.468 -13.853 5.681 1.00 71.54 C ATOM 532 O ILE A 536 5.685 -12.756 6.207 1.00 32.11 O ATOM 533 CB ILE A 536 7.627 -15.101 5.338 1.00 11.12 C ATOM 534 CG1 ILE A 536 8.561 -15.801 4.335 1.00 2.41 C ATOM 535 CG2 ILE A 536 7.145 -16.082 6.381 1.00 4.03 C ATOM 536 CD1 ILE A 536 7.888 -16.841 3.474 1.00 54.30 C ATOM 0 H ILE A 536 7.365 -12.595 4.207 1.00 65.43 H new ATOM 0 HA ILE A 536 5.924 -15.158 4.021 1.00 54.23 H new ATOM 0 HB ILE A 536 8.203 -14.318 5.831 1.00 11.12 H new ATOM 0 HG12 ILE A 536 9.009 -15.047 3.688 1.00 2.41 H new ATOM 0 HG13 ILE A 536 9.375 -16.274 4.885 1.00 2.41 H new ATOM 0 HG21 ILE A 536 8.003 -16.554 6.860 1.00 4.03 H new ATOM 0 HG22 ILE A 536 6.555 -15.555 7.131 1.00 4.03 H new ATOM 0 HG23 ILE A 536 6.529 -16.845 5.905 1.00 4.03 H new ATOM 0 HD11 ILE A 536 8.620 -17.283 2.798 1.00 54.30 H new ATOM 0 HD12 ILE A 536 7.464 -17.620 4.108 1.00 54.30 H new ATOM 0 HD13 ILE A 536 7.093 -16.373 2.893 1.00 54.30 H new ATOM 548 N VAL A 537 4.405 -14.577 5.953 1.00 44.31 N ATOM 549 CA VAL A 537 3.467 -14.185 6.973 1.00 74.22 C ATOM 550 C VAL A 537 3.332 -15.306 8.017 1.00 60.21 C ATOM 551 O VAL A 537 2.838 -16.393 7.707 1.00 30.31 O ATOM 552 CB VAL A 537 2.072 -13.834 6.385 1.00 73.33 C ATOM 553 CG1 VAL A 537 1.139 -13.334 7.474 1.00 20.24 C ATOM 554 CG2 VAL A 537 2.207 -12.786 5.306 1.00 72.45 C ATOM 0 H VAL A 537 4.170 -15.447 5.476 1.00 44.31 H new ATOM 0 HA VAL A 537 3.855 -13.284 7.447 1.00 74.22 H new ATOM 0 HB VAL A 537 1.648 -14.740 5.952 1.00 73.33 H new ATOM 0 HG11 VAL A 537 0.168 -13.094 7.040 1.00 20.24 H new ATOM 0 HG12 VAL A 537 1.016 -14.108 8.232 1.00 20.24 H new ATOM 0 HG13 VAL A 537 1.562 -12.440 7.933 1.00 20.24 H new ATOM 0 HG21 VAL A 537 1.222 -12.550 4.903 1.00 72.45 H new ATOM 0 HG22 VAL A 537 2.652 -11.885 5.728 1.00 72.45 H new ATOM 0 HG23 VAL A 537 2.844 -13.166 4.507 1.00 72.45 H new ATOM 564 N PRO A 538 3.825 -15.080 9.240 1.00 40.41 N ATOM 565 CA PRO A 538 3.728 -16.062 10.332 1.00 63.01 C ATOM 566 C PRO A 538 2.309 -16.165 10.905 1.00 71.13 C ATOM 567 O PRO A 538 1.512 -15.238 10.778 1.00 62.40 O ATOM 568 CB PRO A 538 4.680 -15.509 11.394 1.00 64.23 C ATOM 569 CG PRO A 538 4.739 -14.041 11.137 1.00 5.21 C ATOM 570 CD PRO A 538 4.533 -13.853 9.660 1.00 13.44 C ATOM 0 HA PRO A 538 3.976 -17.067 9.991 1.00 63.01 H new ATOM 0 HB2 PRO A 538 4.314 -15.719 12.399 1.00 64.23 H new ATOM 0 HB3 PRO A 538 5.667 -15.963 11.313 1.00 64.23 H new ATOM 0 HG2 PRO A 538 3.970 -13.517 11.705 1.00 5.21 H new ATOM 0 HG3 PRO A 538 5.700 -13.632 11.449 1.00 5.21 H new ATOM 0 HD2 PRO A 538 3.944 -12.960 9.449 1.00 13.44 H new ATOM 0 HD3 PRO A 538 5.482 -13.740 9.136 1.00 13.44 H new ATOM 578 N TYR A 539 1.996 -17.282 11.519 1.00 15.53 N ATOM 579 CA TYR A 539 0.694 -17.475 12.125 1.00 24.23 C ATOM 580 C TYR A 539 0.794 -18.390 13.321 1.00 73.15 C ATOM 581 O TYR A 539 1.793 -19.106 13.474 1.00 50.31 O ATOM 582 CB TYR A 539 -0.328 -18.028 11.117 1.00 1.40 C ATOM 583 CG TYR A 539 -0.060 -19.432 10.592 1.00 13.22 C ATOM 584 CD1 TYR A 539 -0.490 -20.562 11.291 1.00 51.21 C ATOM 585 CD2 TYR A 539 0.590 -19.622 9.393 1.00 12.45 C ATOM 586 CE1 TYR A 539 -0.264 -21.832 10.802 1.00 13.41 C ATOM 587 CE2 TYR A 539 0.813 -20.887 8.896 1.00 12.22 C ATOM 588 CZ TYR A 539 0.387 -21.989 9.604 1.00 63.41 C ATOM 589 OH TYR A 539 0.610 -23.253 9.103 1.00 65.44 O ATOM 0 H TYR A 539 2.628 -18.077 11.614 1.00 15.53 H new ATOM 0 HA TYR A 539 0.341 -16.498 12.455 1.00 24.23 H new ATOM 0 HB2 TYR A 539 -1.312 -18.019 11.586 1.00 1.40 H new ATOM 0 HB3 TYR A 539 -0.374 -17.347 10.267 1.00 1.40 H new ATOM 0 HD1 TYR A 539 -1.008 -20.439 12.231 1.00 51.21 H new ATOM 0 HD2 TYR A 539 0.931 -18.764 8.833 1.00 12.45 H new ATOM 0 HE1 TYR A 539 -0.597 -22.696 11.358 1.00 13.41 H new ATOM 0 HE2 TYR A 539 1.322 -21.015 7.952 1.00 12.22 H new ATOM 0 HH TYR A 539 1.081 -23.187 8.246 1.00 65.44 H new ATOM 599 N LYS A 540 -0.236 -18.372 14.150 1.00 42.15 N ATOM 600 CA LYS A 540 -0.316 -19.225 15.333 1.00 23.52 C ATOM 601 C LYS A 540 -1.769 -19.381 15.769 1.00 23.32 C ATOM 602 O LYS A 540 -2.623 -18.527 15.439 1.00 43.53 O ATOM 603 CB LYS A 540 0.490 -18.638 16.495 1.00 54.42 C ATOM 604 CG LYS A 540 -0.014 -17.292 16.940 1.00 62.51 C ATOM 605 CD LYS A 540 0.672 -16.810 18.185 1.00 62.13 C ATOM 606 CE LYS A 540 0.094 -15.481 18.594 1.00 35.43 C ATOM 607 NZ LYS A 540 0.420 -14.414 17.622 1.00 32.45 N ATOM 0 H LYS A 540 -1.046 -17.764 14.025 1.00 42.15 H new ATOM 0 HA LYS A 540 0.101 -20.197 15.069 1.00 23.52 H new ATOM 0 HB2 LYS A 540 0.458 -19.329 17.338 1.00 54.42 H new ATOM 0 HB3 LYS A 540 1.534 -18.548 16.197 1.00 54.42 H new ATOM 0 HG2 LYS A 540 0.138 -16.567 16.140 1.00 62.51 H new ATOM 0 HG3 LYS A 540 -1.088 -17.349 17.118 1.00 62.51 H new ATOM 0 HD2 LYS A 540 0.545 -17.536 18.988 1.00 62.13 H new ATOM 0 HD3 LYS A 540 1.743 -16.714 18.009 1.00 62.13 H new ATOM 0 HE2 LYS A 540 -0.988 -15.569 18.687 1.00 35.43 H new ATOM 0 HE3 LYS A 540 0.477 -15.206 19.577 1.00 35.43 H new ATOM 0 HZ1 LYS A 540 1.031 -13.706 18.076 1.00 32.45 H new ATOM 0 HZ2 LYS A 540 0.916 -14.827 16.806 1.00 32.45 H new ATOM 0 HZ3 LYS A 540 -0.457 -13.958 17.299 1.00 32.45 H new ATOM 621 N THR A 541 -2.047 -20.444 16.478 1.00 2.30 N ATOM 622 CA THR A 541 -3.349 -20.686 17.040 1.00 12.42 C ATOM 623 C THR A 541 -3.465 -20.099 18.457 1.00 1.31 C ATOM 624 O THR A 541 -2.511 -20.148 19.243 1.00 72.30 O ATOM 625 CB THR A 541 -3.642 -22.197 17.061 1.00 54.31 C ATOM 626 OG1 THR A 541 -2.461 -22.910 17.436 1.00 43.02 O ATOM 627 CG2 THR A 541 -4.094 -22.687 15.707 1.00 72.20 C ATOM 0 H THR A 541 -1.366 -21.175 16.684 1.00 2.30 H new ATOM 0 HA THR A 541 -4.087 -20.187 16.412 1.00 12.42 H new ATOM 0 HB THR A 541 -4.440 -22.373 17.783 1.00 54.31 H new ATOM 0 HG1 THR A 541 -2.406 -22.962 18.413 1.00 43.02 H new ATOM 0 HG21 THR A 541 -4.293 -23.758 15.755 1.00 72.20 H new ATOM 0 HG22 THR A 541 -5.003 -22.162 15.415 1.00 72.20 H new ATOM 0 HG23 THR A 541 -3.313 -22.496 14.971 1.00 72.20 H new ATOM 635 N ILE A 542 -4.595 -19.494 18.747 1.00 51.00 N ATOM 636 CA ILE A 542 -4.882 -18.911 20.046 1.00 40.33 C ATOM 637 C ILE A 542 -5.976 -19.742 20.731 1.00 24.11 C ATOM 638 O ILE A 542 -7.110 -19.819 20.220 1.00 4.13 O ATOM 639 CB ILE A 542 -5.415 -17.465 19.875 1.00 64.04 C ATOM 640 CG1 ILE A 542 -4.469 -16.631 18.996 1.00 0.43 C ATOM 641 CG2 ILE A 542 -5.608 -16.798 21.237 1.00 70.54 C ATOM 642 CD1 ILE A 542 -5.026 -15.275 18.615 1.00 64.15 C ATOM 0 H ILE A 542 -5.357 -19.390 18.077 1.00 51.00 H new ATOM 0 HA ILE A 542 -3.968 -18.900 20.640 1.00 40.33 H new ATOM 0 HB ILE A 542 -6.383 -17.519 19.376 1.00 64.04 H new ATOM 0 HG12 ILE A 542 -3.526 -16.491 19.525 1.00 0.43 H new ATOM 0 HG13 ILE A 542 -4.245 -17.190 18.087 1.00 0.43 H new ATOM 0 HG21 ILE A 542 -5.982 -15.784 21.096 1.00 70.54 H new ATOM 0 HG22 ILE A 542 -6.325 -17.371 21.824 1.00 70.54 H new ATOM 0 HG23 ILE A 542 -4.654 -16.762 21.763 1.00 70.54 H new ATOM 0 HD11 ILE A 542 -4.302 -14.745 17.995 1.00 64.15 H new ATOM 0 HD12 ILE A 542 -5.954 -15.406 18.058 1.00 64.15 H new ATOM 0 HD13 ILE A 542 -5.223 -14.696 19.517 1.00 64.15 H new ATOM 654 N GLU A 543 -5.646 -20.373 21.847 1.00 44.34 N ATOM 655 CA GLU A 543 -6.609 -21.188 22.589 1.00 52.01 C ATOM 656 C GLU A 543 -7.545 -20.278 23.367 1.00 40.32 C ATOM 657 O GLU A 543 -7.174 -19.740 24.421 1.00 74.42 O ATOM 658 CB GLU A 543 -5.945 -22.161 23.600 1.00 13.44 C ATOM 659 CG GLU A 543 -4.538 -22.629 23.271 1.00 3.35 C ATOM 660 CD GLU A 543 -3.502 -21.594 23.644 1.00 5.11 C ATOM 661 OE1 GLU A 543 -3.034 -21.591 24.785 1.00 32.40 O ATOM 662 OE2 GLU A 543 -3.134 -20.753 22.794 1.00 51.45 O ATOM 0 H GLU A 543 -4.716 -20.339 22.264 1.00 44.34 H new ATOM 0 HA GLU A 543 -7.140 -21.785 21.848 1.00 52.01 H new ATOM 0 HB2 GLU A 543 -5.923 -21.675 24.576 1.00 13.44 H new ATOM 0 HB3 GLU A 543 -6.583 -23.040 23.696 1.00 13.44 H new ATOM 0 HG2 GLU A 543 -4.331 -23.559 23.801 1.00 3.35 H new ATOM 0 HG3 GLU A 543 -4.467 -22.847 22.205 1.00 3.35 H new ATOM 669 N GLY A 544 -8.710 -20.057 22.837 1.00 42.32 N ATOM 670 CA GLY A 544 -9.661 -19.230 23.518 1.00 10.13 C ATOM 671 C GLY A 544 -10.726 -20.056 24.134 1.00 11.32 C ATOM 672 O GLY A 544 -10.603 -20.540 25.246 1.00 61.34 O ATOM 0 H GLY A 544 -9.024 -20.434 21.943 1.00 42.32 H new ATOM 0 HA2 GLY A 544 -9.157 -18.645 24.287 1.00 10.13 H new ATOM 0 HA3 GLY A 544 -10.103 -18.522 22.817 1.00 10.13 H new ATOM 676 N THR A 545 -11.724 -20.280 23.368 1.00 51.30 N ATOM 677 CA THR A 545 -12.899 -20.974 23.771 1.00 31.13 C ATOM 678 C THR A 545 -12.836 -22.416 23.210 1.00 61.41 C ATOM 679 O THR A 545 -13.850 -23.054 22.915 1.00 51.45 O ATOM 680 CB THR A 545 -14.059 -20.185 23.161 1.00 40.14 C ATOM 681 OG1 THR A 545 -13.758 -18.780 23.330 1.00 40.12 O ATOM 682 CG2 THR A 545 -15.356 -20.466 23.859 1.00 42.21 C ATOM 0 H THR A 545 -11.752 -19.973 22.396 1.00 51.30 H new ATOM 0 HA THR A 545 -13.011 -21.049 24.853 1.00 31.13 H new ATOM 0 HB THR A 545 -14.167 -20.471 22.115 1.00 40.14 H new ATOM 0 HG1 THR A 545 -14.482 -18.242 22.947 1.00 40.12 H new ATOM 0 HG21 THR A 545 -16.153 -19.885 23.394 1.00 42.21 H new ATOM 0 HG22 THR A 545 -15.588 -21.528 23.781 1.00 42.21 H new ATOM 0 HG23 THR A 545 -15.271 -20.189 24.910 1.00 42.21 H new ATOM 690 N ALA A 546 -11.619 -22.892 23.073 1.00 64.43 N ATOM 691 CA ALA A 546 -11.306 -24.204 22.585 1.00 5.11 C ATOM 692 C ALA A 546 -9.934 -24.543 23.098 1.00 54.24 C ATOM 693 O ALA A 546 -9.082 -23.649 23.209 1.00 54.12 O ATOM 694 CB ALA A 546 -11.323 -24.239 21.069 1.00 13.23 C ATOM 0 H ALA A 546 -10.790 -22.348 23.310 1.00 64.43 H new ATOM 0 HA ALA A 546 -12.046 -24.926 22.930 1.00 5.11 H new ATOM 0 HB1 ALA A 546 -11.082 -25.245 20.726 1.00 13.23 H new ATOM 0 HB2 ALA A 546 -12.314 -23.960 20.710 1.00 13.23 H new ATOM 0 HB3 ALA A 546 -10.585 -23.537 20.681 1.00 13.23 H new ATOM 700 N ARG A 547 -9.722 -25.782 23.411 1.00 33.50 N ATOM 701 CA ARG A 547 -8.488 -26.233 23.997 1.00 1.11 C ATOM 702 C ARG A 547 -7.501 -26.696 22.956 1.00 24.34 C ATOM 703 O ARG A 547 -7.819 -27.512 22.066 1.00 31.23 O ATOM 704 CB ARG A 547 -8.794 -27.321 24.962 1.00 41.13 C ATOM 705 CG ARG A 547 -9.655 -26.828 26.089 1.00 23.31 C ATOM 706 CD ARG A 547 -10.253 -27.975 26.852 1.00 65.12 C ATOM 707 NE ARG A 547 -11.021 -28.855 25.955 1.00 12.45 N ATOM 708 CZ ARG A 547 -11.542 -30.043 26.271 1.00 43.41 C ATOM 709 NH1 ARG A 547 -11.528 -30.483 27.536 1.00 34.02 N ATOM 710 NH2 ARG A 547 -12.086 -30.790 25.312 1.00 22.43 N ATOM 0 H ARG A 547 -10.407 -26.524 23.267 1.00 33.50 H new ATOM 0 HA ARG A 547 -8.017 -25.397 24.514 1.00 1.11 H new ATOM 0 HB2 ARG A 547 -9.300 -28.136 24.445 1.00 41.13 H new ATOM 0 HB3 ARG A 547 -7.865 -27.726 25.362 1.00 41.13 H new ATOM 0 HG2 ARG A 547 -9.061 -26.210 26.762 1.00 23.31 H new ATOM 0 HG3 ARG A 547 -10.450 -26.196 25.694 1.00 23.31 H new ATOM 0 HD2 ARG A 547 -9.462 -28.545 27.339 1.00 65.12 H new ATOM 0 HD3 ARG A 547 -10.903 -27.594 27.640 1.00 65.12 H new ATOM 0 HE ARG A 547 -11.169 -28.525 25.001 1.00 12.45 H new ATOM 0 HH11 ARG A 547 -11.116 -29.909 28.271 1.00 34.02 H new ATOM 0 HH12 ARG A 547 -11.929 -31.393 27.764 1.00 34.02 H new ATOM 0 HH21 ARG A 547 -12.101 -30.453 24.350 1.00 22.43 H new ATOM 0 HH22 ARG A 547 -12.487 -31.700 25.540 1.00 22.43 H new ATOM 724 N GLY A 548 -6.309 -26.208 23.080 1.00 14.44 N ATOM 725 CA GLY A 548 -5.278 -26.484 22.117 1.00 11.15 C ATOM 726 C GLY A 548 -4.377 -27.615 22.531 1.00 13.15 C ATOM 727 O GLY A 548 -4.696 -28.382 23.441 1.00 4.35 O ATOM 0 H GLY A 548 -6.017 -25.606 23.850 1.00 14.44 H new ATOM 0 HA2 GLY A 548 -5.738 -26.725 21.159 1.00 11.15 H new ATOM 0 HA3 GLY A 548 -4.679 -25.586 21.966 1.00 11.15 H new ATOM 731 N GLY A 549 -3.271 -27.746 21.836 1.00 65.33 N ATOM 732 CA GLY A 549 -2.292 -28.769 22.142 1.00 55.41 C ATOM 733 C GLY A 549 -2.700 -30.143 21.654 1.00 52.31 C ATOM 734 O GLY A 549 -2.051 -31.143 21.973 1.00 25.42 O ATOM 0 H GLY A 549 -3.023 -27.151 21.046 1.00 65.33 H new ATOM 0 HA2 GLY A 549 -1.338 -28.498 21.690 1.00 55.41 H new ATOM 0 HA3 GLY A 549 -2.136 -28.804 23.220 1.00 55.41 H new ATOM 738 N GLY A 550 -3.760 -30.207 20.874 1.00 14.13 N ATOM 739 CA GLY A 550 -4.221 -31.466 20.385 1.00 21.05 C ATOM 740 C GLY A 550 -5.356 -31.994 21.214 1.00 61.45 C ATOM 741 O GLY A 550 -5.600 -33.183 21.248 1.00 63.30 O ATOM 0 H GLY A 550 -4.308 -29.401 20.573 1.00 14.13 H new ATOM 0 HA2 GLY A 550 -4.544 -31.360 19.349 1.00 21.05 H new ATOM 0 HA3 GLY A 550 -3.400 -32.183 20.391 1.00 21.05 H new ATOM 745 N GLU A 551 -6.054 -31.114 21.885 1.00 61.43 N ATOM 746 CA GLU A 551 -7.149 -31.541 22.710 1.00 13.50 C ATOM 747 C GLU A 551 -8.470 -31.351 21.959 1.00 35.00 C ATOM 748 O GLU A 551 -9.159 -32.327 21.661 1.00 55.13 O ATOM 749 CB GLU A 551 -7.092 -30.829 24.049 1.00 45.54 C ATOM 750 CG GLU A 551 -8.058 -31.349 25.079 1.00 50.32 C ATOM 751 CD GLU A 551 -7.656 -30.920 26.464 1.00 24.22 C ATOM 752 OE1 GLU A 551 -7.749 -29.744 26.792 1.00 54.11 O ATOM 753 OE2 GLU A 551 -7.193 -31.769 27.248 1.00 64.04 O ATOM 0 H GLU A 551 -5.885 -30.108 21.876 1.00 61.43 H new ATOM 0 HA GLU A 551 -7.074 -32.606 22.928 1.00 13.50 H new ATOM 0 HB2 GLU A 551 -6.080 -30.911 24.446 1.00 45.54 H new ATOM 0 HB3 GLU A 551 -7.287 -29.769 23.890 1.00 45.54 H new ATOM 0 HG2 GLU A 551 -9.061 -30.984 24.859 1.00 50.32 H new ATOM 0 HG3 GLU A 551 -8.097 -32.437 25.029 1.00 50.32 H new ATOM 760 N ASP A 552 -8.816 -30.115 21.635 1.00 1.52 N ATOM 761 CA ASP A 552 -9.979 -29.872 20.765 1.00 75.15 C ATOM 762 C ASP A 552 -9.458 -29.599 19.385 1.00 52.21 C ATOM 763 O ASP A 552 -9.979 -30.086 18.384 1.00 62.10 O ATOM 764 CB ASP A 552 -10.848 -28.683 21.208 1.00 10.21 C ATOM 765 CG ASP A 552 -11.497 -28.851 22.559 1.00 32.14 C ATOM 766 OD1 ASP A 552 -12.207 -29.836 22.795 1.00 25.12 O ATOM 767 OD2 ASP A 552 -11.353 -27.967 23.395 1.00 2.31 O ATOM 0 H ASP A 552 -8.328 -29.276 21.947 1.00 1.52 H new ATOM 0 HA ASP A 552 -10.618 -30.754 20.811 1.00 75.15 H new ATOM 0 HB2 ASP A 552 -10.231 -27.785 21.225 1.00 10.21 H new ATOM 0 HB3 ASP A 552 -11.627 -28.521 20.463 1.00 10.21 H new ATOM 772 N PHE A 553 -8.406 -28.827 19.337 1.00 34.52 N ATOM 773 CA PHE A 553 -7.732 -28.535 18.110 1.00 51.02 C ATOM 774 C PHE A 553 -6.256 -28.719 18.335 1.00 73.51 C ATOM 775 O PHE A 553 -5.778 -28.661 19.492 1.00 61.13 O ATOM 776 CB PHE A 553 -8.037 -27.102 17.607 1.00 14.31 C ATOM 777 CG PHE A 553 -7.501 -25.980 18.472 1.00 10.20 C ATOM 778 CD1 PHE A 553 -8.238 -25.478 19.524 1.00 31.40 C ATOM 779 CD2 PHE A 553 -6.258 -25.427 18.214 1.00 22.21 C ATOM 780 CE1 PHE A 553 -7.742 -24.448 20.299 1.00 62.00 C ATOM 781 CE2 PHE A 553 -5.760 -24.406 18.987 1.00 31.05 C ATOM 782 CZ PHE A 553 -6.501 -23.914 20.030 1.00 15.05 C ATOM 0 H PHE A 553 -7.993 -28.382 20.157 1.00 34.52 H new ATOM 0 HA PHE A 553 -8.087 -29.214 17.335 1.00 51.02 H new ATOM 0 HB2 PHE A 553 -7.625 -26.992 16.604 1.00 14.31 H new ATOM 0 HB3 PHE A 553 -9.118 -26.988 17.522 1.00 14.31 H new ATOM 0 HD1 PHE A 553 -9.210 -25.893 19.744 1.00 31.40 H new ATOM 0 HD2 PHE A 553 -5.670 -25.805 17.391 1.00 22.21 H new ATOM 0 HE1 PHE A 553 -8.329 -24.060 21.118 1.00 62.00 H new ATOM 0 HE2 PHE A 553 -4.786 -23.992 18.773 1.00 31.05 H new ATOM 0 HZ PHE A 553 -6.113 -23.111 20.639 1.00 15.05 H new ATOM 792 N GLU A 554 -5.553 -28.989 17.288 1.00 34.14 N ATOM 793 CA GLU A 554 -4.133 -29.117 17.348 1.00 74.25 C ATOM 794 C GLU A 554 -3.544 -27.711 17.301 1.00 65.31 C ATOM 795 O GLU A 554 -4.012 -26.866 16.532 1.00 1.31 O ATOM 796 CB GLU A 554 -3.655 -29.947 16.164 1.00 61.33 C ATOM 797 CG GLU A 554 -2.587 -30.974 16.498 1.00 4.31 C ATOM 798 CD GLU A 554 -1.326 -30.386 17.070 1.00 4.03 C ATOM 799 OE1 GLU A 554 -1.308 -30.051 18.277 1.00 43.43 O ATOM 800 OE2 GLU A 554 -0.330 -30.275 16.333 1.00 31.33 O ATOM 0 H GLU A 554 -5.949 -29.129 16.358 1.00 34.14 H new ATOM 0 HA GLU A 554 -3.816 -29.619 18.262 1.00 74.25 H new ATOM 0 HB2 GLU A 554 -4.512 -30.462 15.730 1.00 61.33 H new ATOM 0 HB3 GLU A 554 -3.266 -29.274 15.400 1.00 61.33 H new ATOM 0 HG2 GLU A 554 -2.997 -31.690 17.210 1.00 4.31 H new ATOM 0 HG3 GLU A 554 -2.338 -31.530 15.594 1.00 4.31 H new ATOM 807 N ASP A 555 -2.556 -27.460 18.117 1.00 44.32 N ATOM 808 CA ASP A 555 -1.968 -26.128 18.195 1.00 71.43 C ATOM 809 C ASP A 555 -0.894 -26.018 17.163 1.00 41.44 C ATOM 810 O ASP A 555 0.062 -26.799 17.176 1.00 25.42 O ATOM 811 CB ASP A 555 -1.404 -25.837 19.587 1.00 54.11 C ATOM 812 CG ASP A 555 -0.794 -24.451 19.697 1.00 52.24 C ATOM 813 OD1 ASP A 555 -1.546 -23.466 19.824 1.00 55.34 O ATOM 814 OD2 ASP A 555 0.433 -24.319 19.670 1.00 41.12 O ATOM 0 H ASP A 555 -2.135 -28.150 18.739 1.00 44.32 H new ATOM 0 HA ASP A 555 -2.747 -25.389 18.007 1.00 71.43 H new ATOM 0 HB2 ASP A 555 -2.200 -25.938 20.325 1.00 54.11 H new ATOM 0 HB3 ASP A 555 -0.647 -26.582 19.830 1.00 54.11 H new ATOM 819 N THR A 556 -1.032 -25.078 16.284 1.00 24.12 N ATOM 820 CA THR A 556 -0.143 -24.979 15.189 1.00 60.23 C ATOM 821 C THR A 556 0.385 -23.551 15.046 1.00 0.14 C ATOM 822 O THR A 556 -0.152 -22.594 15.629 1.00 53.00 O ATOM 823 CB THR A 556 -0.816 -25.479 13.858 1.00 62.42 C ATOM 824 OG1 THR A 556 0.159 -25.595 12.810 1.00 33.34 O ATOM 825 CG2 THR A 556 -1.932 -24.540 13.400 1.00 21.43 C ATOM 0 H THR A 556 -1.761 -24.365 16.311 1.00 24.12 H new ATOM 0 HA THR A 556 0.707 -25.632 15.386 1.00 60.23 H new ATOM 0 HB THR A 556 -1.249 -26.457 14.068 1.00 62.42 H new ATOM 0 HG1 THR A 556 -0.277 -25.909 11.991 1.00 33.34 H new ATOM 0 HG21 THR A 556 -2.372 -24.920 12.478 1.00 21.43 H new ATOM 0 HG22 THR A 556 -2.700 -24.484 14.172 1.00 21.43 H new ATOM 0 HG23 THR A 556 -1.521 -23.546 13.224 1.00 21.43 H new ATOM 833 N CYS A 557 1.414 -23.433 14.283 1.00 11.42 N ATOM 834 CA CYS A 557 2.083 -22.212 14.017 1.00 45.45 C ATOM 835 C CYS A 557 2.885 -22.434 12.767 1.00 60.23 C ATOM 836 O CYS A 557 3.076 -23.597 12.359 1.00 2.25 O ATOM 837 CB CYS A 557 2.989 -21.826 15.203 1.00 63.34 C ATOM 838 SG CYS A 557 4.181 -23.106 15.685 1.00 4.14 S ATOM 0 H CYS A 557 1.833 -24.230 13.803 1.00 11.42 H new ATOM 0 HA CYS A 557 1.379 -21.390 13.882 1.00 45.45 H new ATOM 0 HB2 CYS A 557 3.534 -20.917 14.947 1.00 63.34 H new ATOM 0 HB3 CYS A 557 2.361 -21.590 16.062 1.00 63.34 H new ATOM 0 HG CYS A 557 4.893 -22.681 16.686 1.00 4.14 H new ATOM 844 N GLY A 558 3.321 -21.393 12.143 1.00 35.44 N ATOM 845 CA GLY A 558 4.087 -21.547 10.956 1.00 42.21 C ATOM 846 C GLY A 558 4.224 -20.259 10.241 1.00 41.01 C ATOM 847 O GLY A 558 3.851 -19.209 10.783 1.00 35.34 O ATOM 0 H GLY A 558 3.160 -20.429 12.435 1.00 35.44 H new ATOM 0 HA2 GLY A 558 5.075 -21.936 11.204 1.00 42.21 H new ATOM 0 HA3 GLY A 558 3.611 -22.280 10.304 1.00 42.21 H new ATOM 851 N GLU A 559 4.723 -20.323 9.043 1.00 32.33 N ATOM 852 CA GLU A 559 4.954 -19.176 8.228 1.00 23.11 C ATOM 853 C GLU A 559 4.490 -19.441 6.806 1.00 11.52 C ATOM 854 O GLU A 559 4.963 -20.370 6.142 1.00 31.14 O ATOM 855 CB GLU A 559 6.432 -18.794 8.274 1.00 32.31 C ATOM 856 CG GLU A 559 6.880 -18.227 9.615 1.00 4.21 C ATOM 857 CD GLU A 559 8.353 -17.931 9.677 1.00 54.44 C ATOM 858 OE1 GLU A 559 8.802 -16.951 9.066 1.00 52.34 O ATOM 859 OE2 GLU A 559 9.099 -18.692 10.337 1.00 72.50 O ATOM 0 H GLU A 559 4.987 -21.201 8.596 1.00 32.33 H new ATOM 0 HA GLU A 559 4.377 -18.336 8.614 1.00 23.11 H new ATOM 0 HB2 GLU A 559 7.032 -19.674 8.044 1.00 32.31 H new ATOM 0 HB3 GLU A 559 6.632 -18.059 7.494 1.00 32.31 H new ATOM 0 HG2 GLU A 559 6.324 -17.311 9.818 1.00 4.21 H new ATOM 0 HG3 GLU A 559 6.626 -18.935 10.404 1.00 4.21 H new ATOM 866 N LEU A 560 3.555 -18.647 6.357 1.00 32.45 N ATOM 867 CA LEU A 560 3.003 -18.770 5.032 1.00 13.02 C ATOM 868 C LEU A 560 3.826 -18.004 4.064 1.00 14.44 C ATOM 869 O LEU A 560 4.138 -16.826 4.288 1.00 4.20 O ATOM 870 CB LEU A 560 1.566 -18.279 4.982 1.00 43.12 C ATOM 871 CG LEU A 560 0.550 -19.087 5.773 1.00 72.24 C ATOM 872 CD1 LEU A 560 -0.829 -18.492 5.606 1.00 55.43 C ATOM 873 CD2 LEU A 560 0.565 -20.549 5.343 1.00 0.41 C ATOM 0 H LEU A 560 3.150 -17.888 6.906 1.00 32.45 H new ATOM 0 HA LEU A 560 3.012 -19.827 4.764 1.00 13.02 H new ATOM 0 HB2 LEU A 560 1.543 -17.251 5.345 1.00 43.12 H new ATOM 0 HB3 LEU A 560 1.248 -18.256 3.940 1.00 43.12 H new ATOM 0 HG LEU A 560 0.821 -19.048 6.828 1.00 72.24 H new ATOM 0 HD11 LEU A 560 -1.550 -19.078 6.176 1.00 55.43 H new ATOM 0 HD12 LEU A 560 -0.828 -17.464 5.969 1.00 55.43 H new ATOM 0 HD13 LEU A 560 -1.105 -18.504 4.552 1.00 55.43 H new ATOM 0 HD21 LEU A 560 -0.170 -21.106 5.923 1.00 0.41 H new ATOM 0 HD22 LEU A 560 0.320 -20.619 4.283 1.00 0.41 H new ATOM 0 HD23 LEU A 560 1.556 -20.969 5.515 1.00 0.41 H new ATOM 885 N GLU A 561 4.202 -18.658 3.015 1.00 5.35 N ATOM 886 CA GLU A 561 4.988 -18.047 2.012 1.00 71.12 C ATOM 887 C GLU A 561 4.092 -17.369 0.996 1.00 34.20 C ATOM 888 O GLU A 561 3.190 -17.990 0.425 1.00 22.14 O ATOM 889 CB GLU A 561 5.868 -19.073 1.327 1.00 44.42 C ATOM 890 CG GLU A 561 6.867 -18.465 0.379 1.00 60.01 C ATOM 891 CD GLU A 561 7.469 -19.477 -0.548 1.00 0.32 C ATOM 892 OE1 GLU A 561 6.854 -19.783 -1.582 1.00 14.24 O ATOM 893 OE2 GLU A 561 8.569 -19.977 -0.260 1.00 33.03 O ATOM 0 H GLU A 561 3.968 -19.634 2.835 1.00 5.35 H new ATOM 0 HA GLU A 561 5.629 -17.299 2.479 1.00 71.12 H new ATOM 0 HB2 GLU A 561 6.400 -19.648 2.085 1.00 44.42 H new ATOM 0 HB3 GLU A 561 5.238 -19.774 0.779 1.00 44.42 H new ATOM 0 HG2 GLU A 561 6.379 -17.686 -0.207 1.00 60.01 H new ATOM 0 HG3 GLU A 561 7.660 -17.984 0.952 1.00 60.01 H new ATOM 900 N PHE A 562 4.297 -16.110 0.807 1.00 34.33 N ATOM 901 CA PHE A 562 3.571 -15.388 -0.168 1.00 55.30 C ATOM 902 C PHE A 562 4.513 -14.724 -1.151 1.00 33.12 C ATOM 903 O PHE A 562 5.111 -13.695 -0.867 1.00 51.43 O ATOM 904 CB PHE A 562 2.633 -14.362 0.472 1.00 31.22 C ATOM 905 CG PHE A 562 1.474 -14.956 1.241 1.00 0.40 C ATOM 906 CD1 PHE A 562 0.393 -15.476 0.569 1.00 73.30 C ATOM 907 CD2 PHE A 562 1.458 -14.967 2.617 1.00 54.42 C ATOM 908 CE1 PHE A 562 -0.686 -15.999 1.230 1.00 22.05 C ATOM 909 CE2 PHE A 562 0.374 -15.486 3.302 1.00 2.21 C ATOM 910 CZ PHE A 562 -0.700 -16.002 2.606 1.00 35.15 C ATOM 0 H PHE A 562 4.976 -15.555 1.328 1.00 34.33 H new ATOM 0 HA PHE A 562 2.950 -16.099 -0.713 1.00 55.30 H new ATOM 0 HB2 PHE A 562 3.213 -13.731 1.146 1.00 31.22 H new ATOM 0 HB3 PHE A 562 2.238 -13.714 -0.310 1.00 31.22 H new ATOM 0 HD1 PHE A 562 0.395 -15.472 -0.511 1.00 73.30 H new ATOM 0 HD2 PHE A 562 2.298 -14.568 3.166 1.00 54.42 H new ATOM 0 HE1 PHE A 562 -1.519 -16.406 0.676 1.00 22.05 H new ATOM 0 HE2 PHE A 562 0.368 -15.487 4.382 1.00 2.21 H new ATOM 0 HZ PHE A 562 -1.548 -16.406 3.139 1.00 35.15 H new ATOM 920 N GLN A 563 4.698 -15.360 -2.277 1.00 70.44 N ATOM 921 CA GLN A 563 5.480 -14.792 -3.349 1.00 62.12 C ATOM 922 C GLN A 563 4.583 -14.125 -4.358 1.00 1.50 C ATOM 923 O GLN A 563 3.362 -14.052 -4.167 1.00 64.00 O ATOM 924 CB GLN A 563 6.322 -15.851 -4.050 1.00 65.20 C ATOM 925 CG GLN A 563 7.302 -16.532 -3.135 1.00 15.20 C ATOM 926 CD GLN A 563 8.322 -17.350 -3.860 1.00 41.12 C ATOM 927 OE1 GLN A 563 8.118 -18.517 -4.136 1.00 54.30 O ATOM 928 NE2 GLN A 563 9.425 -16.744 -4.175 1.00 12.11 N ATOM 0 H GLN A 563 4.314 -16.283 -2.479 1.00 70.44 H new ATOM 0 HA GLN A 563 6.149 -14.054 -2.906 1.00 62.12 H new ATOM 0 HB2 GLN A 563 5.662 -16.600 -4.486 1.00 65.20 H new ATOM 0 HB3 GLN A 563 6.866 -15.387 -4.873 1.00 65.20 H new ATOM 0 HG2 GLN A 563 7.812 -15.778 -2.535 1.00 15.20 H new ATOM 0 HG3 GLN A 563 6.756 -17.174 -2.444 1.00 15.20 H new ATOM 0 HE21 GLN A 563 9.558 -15.764 -3.925 1.00 12.11 H new ATOM 0 HE22 GLN A 563 10.160 -17.248 -4.672 1.00 12.11 H new ATOM 937 N ASN A 564 5.182 -13.647 -5.420 1.00 41.24 N ATOM 938 CA ASN A 564 4.458 -13.054 -6.529 1.00 71.50 C ATOM 939 C ASN A 564 3.876 -14.163 -7.408 1.00 0.34 C ATOM 940 O ASN A 564 2.925 -13.959 -8.145 1.00 73.41 O ATOM 941 CB ASN A 564 5.383 -12.134 -7.368 1.00 34.55 C ATOM 942 CG ASN A 564 6.541 -12.855 -8.063 1.00 30.51 C ATOM 943 OD1 ASN A 564 7.036 -13.891 -7.595 1.00 31.12 O ATOM 944 ND2 ASN A 564 6.990 -12.318 -9.160 1.00 1.00 N ATOM 0 H ASN A 564 6.194 -13.656 -5.545 1.00 41.24 H new ATOM 0 HA ASN A 564 3.648 -12.442 -6.131 1.00 71.50 H new ATOM 0 HB2 ASN A 564 4.782 -11.628 -8.124 1.00 34.55 H new ATOM 0 HB3 ASN A 564 5.792 -11.361 -6.717 1.00 34.55 H new ATOM 0 HD21 ASN A 564 7.769 -12.750 -9.658 1.00 1.00 H new ATOM 0 HD22 ASN A 564 6.563 -11.465 -9.522 1.00 1.00 H new ATOM 951 N ASP A 565 4.474 -15.339 -7.297 1.00 52.11 N ATOM 952 CA ASP A 565 4.069 -16.526 -8.072 1.00 42.24 C ATOM 953 C ASP A 565 2.744 -17.121 -7.594 1.00 65.11 C ATOM 954 O ASP A 565 1.823 -17.326 -8.391 1.00 34.51 O ATOM 955 CB ASP A 565 5.162 -17.608 -8.016 1.00 23.31 C ATOM 956 CG ASP A 565 4.759 -18.887 -8.734 1.00 42.05 C ATOM 957 OD1 ASP A 565 4.868 -18.955 -9.975 1.00 24.15 O ATOM 958 OD2 ASP A 565 4.332 -19.847 -8.073 1.00 51.14 O ATOM 0 H ASP A 565 5.258 -15.509 -6.667 1.00 52.11 H new ATOM 0 HA ASP A 565 3.930 -16.189 -9.099 1.00 42.24 H new ATOM 0 HB2 ASP A 565 6.077 -17.218 -8.463 1.00 23.31 H new ATOM 0 HB3 ASP A 565 5.388 -17.837 -6.975 1.00 23.31 H new ATOM 963 N GLU A 566 2.649 -17.388 -6.303 1.00 21.15 N ATOM 964 CA GLU A 566 1.463 -18.013 -5.733 1.00 41.31 C ATOM 965 C GLU A 566 0.223 -17.120 -5.718 1.00 73.15 C ATOM 966 O GLU A 566 0.291 -15.909 -5.939 1.00 24.31 O ATOM 967 CB GLU A 566 1.728 -18.487 -4.331 1.00 72.24 C ATOM 968 CG GLU A 566 2.339 -19.829 -4.194 1.00 25.11 C ATOM 969 CD GLU A 566 1.535 -20.888 -4.897 1.00 24.53 C ATOM 970 OE1 GLU A 566 0.289 -20.907 -4.765 1.00 31.44 O ATOM 971 OE2 GLU A 566 2.136 -21.725 -5.598 1.00 31.21 O ATOM 0 H GLU A 566 3.382 -17.181 -5.625 1.00 21.15 H new ATOM 0 HA GLU A 566 1.248 -18.852 -6.395 1.00 41.31 H new ATOM 0 HB2 GLU A 566 2.381 -17.763 -3.843 1.00 72.24 H new ATOM 0 HB3 GLU A 566 0.784 -18.484 -3.785 1.00 72.24 H new ATOM 0 HG2 GLU A 566 3.350 -19.811 -4.602 1.00 25.11 H new ATOM 0 HG3 GLU A 566 2.426 -20.082 -3.137 1.00 25.11 H new ATOM 978 N ILE A 567 -0.899 -17.744 -5.413 1.00 74.10 N ATOM 979 CA ILE A 567 -2.193 -17.075 -5.313 1.00 31.40 C ATOM 980 C ILE A 567 -2.658 -16.905 -3.850 1.00 41.34 C ATOM 981 O ILE A 567 -2.763 -15.792 -3.349 1.00 60.32 O ATOM 982 CB ILE A 567 -3.283 -17.821 -6.113 1.00 51.22 C ATOM 983 CG1 ILE A 567 -3.108 -19.345 -5.975 1.00 23.11 C ATOM 984 CG2 ILE A 567 -3.260 -17.396 -7.576 1.00 14.53 C ATOM 985 CD1 ILE A 567 -4.343 -20.120 -6.269 1.00 64.45 C ATOM 0 H ILE A 567 -0.943 -18.745 -5.224 1.00 74.10 H new ATOM 0 HA ILE A 567 -2.049 -16.084 -5.743 1.00 31.40 H new ATOM 0 HB ILE A 567 -4.257 -17.556 -5.702 1.00 51.22 H new ATOM 0 HG12 ILE A 567 -2.316 -19.673 -6.648 1.00 23.11 H new ATOM 0 HG13 ILE A 567 -2.780 -19.573 -4.961 1.00 23.11 H new ATOM 0 HG21 ILE A 567 -4.035 -17.933 -8.123 1.00 14.53 H new ATOM 0 HG22 ILE A 567 -3.442 -16.324 -7.646 1.00 14.53 H new ATOM 0 HG23 ILE A 567 -2.286 -17.627 -8.007 1.00 14.53 H new ATOM 0 HD11 ILE A 567 -4.141 -21.185 -6.151 1.00 64.45 H new ATOM 0 HD12 ILE A 567 -5.133 -19.822 -5.579 1.00 64.45 H new ATOM 0 HD13 ILE A 567 -4.661 -19.923 -7.293 1.00 64.45 H new ATOM 997 N VAL A 568 -2.884 -17.995 -3.155 1.00 23.34 N ATOM 998 CA VAL A 568 -3.371 -17.954 -1.790 1.00 71.40 C ATOM 999 C VAL A 568 -2.646 -19.034 -0.972 1.00 10.21 C ATOM 1000 O VAL A 568 -1.999 -19.906 -1.549 1.00 73.12 O ATOM 1001 CB VAL A 568 -4.914 -18.227 -1.792 1.00 1.52 C ATOM 1002 CG1 VAL A 568 -5.218 -19.623 -2.283 1.00 63.44 C ATOM 1003 CG2 VAL A 568 -5.551 -17.987 -0.437 1.00 63.31 C ATOM 0 H VAL A 568 -2.736 -18.937 -3.517 1.00 23.34 H new ATOM 0 HA VAL A 568 -3.180 -16.977 -1.347 1.00 71.40 H new ATOM 0 HB VAL A 568 -5.355 -17.509 -2.484 1.00 1.52 H new ATOM 0 HG11 VAL A 568 -6.296 -19.785 -2.274 1.00 63.44 H new ATOM 0 HG12 VAL A 568 -4.842 -19.741 -3.299 1.00 63.44 H new ATOM 0 HG13 VAL A 568 -4.736 -20.351 -1.631 1.00 63.44 H new ATOM 0 HG21 VAL A 568 -6.620 -18.191 -0.496 1.00 63.31 H new ATOM 0 HG22 VAL A 568 -5.096 -18.647 0.301 1.00 63.31 H new ATOM 0 HG23 VAL A 568 -5.396 -16.950 -0.141 1.00 63.31 H new ATOM 1013 N LYS A 569 -2.686 -18.927 0.333 1.00 15.41 N ATOM 1014 CA LYS A 569 -2.207 -19.965 1.221 1.00 4.44 C ATOM 1015 C LYS A 569 -3.256 -20.225 2.254 1.00 72.21 C ATOM 1016 O LYS A 569 -4.174 -19.407 2.426 1.00 61.43 O ATOM 1017 CB LYS A 569 -0.891 -19.622 1.914 1.00 3.33 C ATOM 1018 CG LYS A 569 0.312 -19.606 1.005 1.00 20.15 C ATOM 1019 CD LYS A 569 1.441 -20.506 1.512 1.00 64.22 C ATOM 1020 CE LYS A 569 1.045 -21.985 1.563 1.00 12.21 C ATOM 1021 NZ LYS A 569 2.211 -22.859 1.809 1.00 65.21 N ATOM 0 H LYS A 569 -3.056 -18.109 0.817 1.00 15.41 H new ATOM 0 HA LYS A 569 -2.011 -20.847 0.611 1.00 4.44 H new ATOM 0 HB2 LYS A 569 -0.988 -18.643 2.384 1.00 3.33 H new ATOM 0 HB3 LYS A 569 -0.717 -20.344 2.712 1.00 3.33 H new ATOM 0 HG2 LYS A 569 0.014 -19.929 0.008 1.00 20.15 H new ATOM 0 HG3 LYS A 569 0.680 -18.584 0.912 1.00 20.15 H new ATOM 0 HD2 LYS A 569 2.310 -20.390 0.865 1.00 64.22 H new ATOM 0 HD3 LYS A 569 1.739 -20.180 2.508 1.00 64.22 H new ATOM 0 HE2 LYS A 569 0.306 -22.136 2.350 1.00 12.21 H new ATOM 0 HE3 LYS A 569 0.572 -22.267 0.622 1.00 12.21 H new ATOM 0 HZ1 LYS A 569 1.901 -23.851 1.836 1.00 65.21 H new ATOM 0 HZ2 LYS A 569 2.906 -22.734 1.045 1.00 65.21 H new ATOM 0 HZ3 LYS A 569 2.648 -22.607 2.719 1.00 65.21 H new ATOM 1035 N THR A 570 -3.137 -21.327 2.926 1.00 54.52 N ATOM 1036 CA THR A 570 -4.079 -21.706 3.932 1.00 63.21 C ATOM 1037 C THR A 570 -3.382 -22.084 5.216 1.00 33.25 C ATOM 1038 O THR A 570 -2.216 -22.495 5.206 1.00 41.12 O ATOM 1039 CB THR A 570 -4.932 -22.908 3.464 1.00 43.14 C ATOM 1040 OG1 THR A 570 -4.088 -23.909 2.869 1.00 42.52 O ATOM 1041 CG2 THR A 570 -6.011 -22.491 2.486 1.00 31.15 C ATOM 0 H THR A 570 -2.377 -21.994 2.791 1.00 54.52 H new ATOM 0 HA THR A 570 -4.723 -20.844 4.108 1.00 63.21 H new ATOM 0 HB THR A 570 -5.427 -23.322 4.343 1.00 43.14 H new ATOM 0 HG1 THR A 570 -4.632 -24.679 2.601 1.00 42.52 H new ATOM 0 HG21 THR A 570 -6.586 -23.366 2.184 1.00 31.15 H new ATOM 0 HG22 THR A 570 -6.674 -21.768 2.962 1.00 31.15 H new ATOM 0 HG23 THR A 570 -5.551 -22.038 1.608 1.00 31.15 H new ATOM 1049 N ILE A 571 -4.072 -21.907 6.305 1.00 2.44 N ATOM 1050 CA ILE A 571 -3.618 -22.416 7.568 1.00 34.34 C ATOM 1051 C ILE A 571 -4.290 -23.754 7.729 1.00 72.35 C ATOM 1052 O ILE A 571 -5.518 -23.836 7.639 1.00 72.54 O ATOM 1053 CB ILE A 571 -3.980 -21.502 8.805 1.00 33.03 C ATOM 1054 CG1 ILE A 571 -3.191 -20.191 8.823 1.00 21.01 C ATOM 1055 CG2 ILE A 571 -3.751 -22.235 10.112 1.00 70.32 C ATOM 1056 CD1 ILE A 571 -3.565 -19.201 7.773 1.00 31.32 C ATOM 0 H ILE A 571 -4.961 -21.408 6.344 1.00 2.44 H new ATOM 0 HA ILE A 571 -2.529 -22.465 7.557 1.00 34.34 H new ATOM 0 HB ILE A 571 -5.037 -21.260 8.698 1.00 33.03 H new ATOM 0 HG12 ILE A 571 -3.319 -19.724 9.800 1.00 21.01 H new ATOM 0 HG13 ILE A 571 -2.131 -20.424 8.717 1.00 21.01 H new ATOM 0 HG21 ILE A 571 -4.008 -21.582 10.946 1.00 70.32 H new ATOM 0 HG22 ILE A 571 -4.377 -23.127 10.143 1.00 70.32 H new ATOM 0 HG23 ILE A 571 -2.703 -22.524 10.188 1.00 70.32 H new ATOM 0 HD11 ILE A 571 -2.946 -18.310 7.876 1.00 31.32 H new ATOM 0 HD12 ILE A 571 -3.409 -19.639 6.787 1.00 31.32 H new ATOM 0 HD13 ILE A 571 -4.614 -18.929 7.887 1.00 31.32 H new ATOM 1068 N SER A 572 -3.511 -24.781 7.881 1.00 14.12 N ATOM 1069 CA SER A 572 -4.037 -26.106 8.025 1.00 45.34 C ATOM 1070 C SER A 572 -4.043 -26.466 9.496 1.00 53.43 C ATOM 1071 O SER A 572 -2.985 -26.548 10.116 1.00 13.14 O ATOM 1072 CB SER A 572 -3.131 -27.063 7.267 1.00 5.11 C ATOM 1073 OG SER A 572 -2.831 -26.539 5.976 1.00 51.11 O ATOM 0 H SER A 572 -2.493 -24.725 7.909 1.00 14.12 H new ATOM 0 HA SER A 572 -5.052 -26.167 7.631 1.00 45.34 H new ATOM 0 HB2 SER A 572 -2.209 -27.222 7.826 1.00 5.11 H new ATOM 0 HB3 SER A 572 -3.616 -28.034 7.169 1.00 5.11 H new ATOM 0 HG SER A 572 -2.246 -27.163 5.498 1.00 51.11 H new ATOM 1079 N VAL A 573 -5.213 -26.648 10.052 1.00 42.31 N ATOM 1080 CA VAL A 573 -5.332 -27.016 11.446 1.00 72.44 C ATOM 1081 C VAL A 573 -6.015 -28.345 11.563 1.00 1.41 C ATOM 1082 O VAL A 573 -7.085 -28.565 10.957 1.00 14.32 O ATOM 1083 CB VAL A 573 -6.110 -25.952 12.292 1.00 14.54 C ATOM 1084 CG1 VAL A 573 -6.325 -26.405 13.736 1.00 3.34 C ATOM 1085 CG2 VAL A 573 -5.374 -24.637 12.287 1.00 20.54 C ATOM 0 H VAL A 573 -6.102 -26.548 9.562 1.00 42.31 H new ATOM 0 HA VAL A 573 -4.320 -27.071 11.848 1.00 72.44 H new ATOM 0 HB VAL A 573 -7.089 -25.833 11.827 1.00 14.54 H new ATOM 0 HG11 VAL A 573 -6.868 -25.634 14.282 1.00 3.34 H new ATOM 0 HG12 VAL A 573 -6.901 -27.330 13.745 1.00 3.34 H new ATOM 0 HG13 VAL A 573 -5.359 -26.574 14.212 1.00 3.34 H new ATOM 0 HG21 VAL A 573 -5.927 -23.908 12.879 1.00 20.54 H new ATOM 0 HG22 VAL A 573 -4.381 -24.774 12.716 1.00 20.54 H new ATOM 0 HG23 VAL A 573 -5.280 -24.276 11.263 1.00 20.54 H new ATOM 1095 N LYS A 574 -5.386 -29.233 12.281 1.00 22.41 N ATOM 1096 CA LYS A 574 -5.944 -30.502 12.588 1.00 14.11 C ATOM 1097 C LYS A 574 -6.958 -30.317 13.688 1.00 34.31 C ATOM 1098 O LYS A 574 -6.613 -29.974 14.830 1.00 74.32 O ATOM 1099 CB LYS A 574 -4.855 -31.510 13.025 1.00 75.41 C ATOM 1100 CG LYS A 574 -5.391 -32.884 13.465 1.00 23.20 C ATOM 1101 CD LYS A 574 -5.856 -33.767 12.299 1.00 11.24 C ATOM 1102 CE LYS A 574 -4.668 -34.351 11.537 1.00 23.35 C ATOM 1103 NZ LYS A 574 -5.073 -35.284 10.451 1.00 14.12 N ATOM 0 H LYS A 574 -4.456 -29.084 12.672 1.00 22.41 H new ATOM 0 HA LYS A 574 -6.419 -30.911 11.696 1.00 14.11 H new ATOM 0 HB2 LYS A 574 -4.160 -31.654 12.198 1.00 75.41 H new ATOM 0 HB3 LYS A 574 -4.287 -31.076 13.848 1.00 75.41 H new ATOM 0 HG2 LYS A 574 -4.611 -33.408 14.018 1.00 23.20 H new ATOM 0 HG3 LYS A 574 -6.224 -32.736 14.152 1.00 23.20 H new ATOM 0 HD2 LYS A 574 -6.480 -34.576 12.679 1.00 11.24 H new ATOM 0 HD3 LYS A 574 -6.474 -33.180 11.619 1.00 11.24 H new ATOM 0 HE2 LYS A 574 -4.083 -33.537 11.109 1.00 23.35 H new ATOM 0 HE3 LYS A 574 -4.018 -34.877 12.237 1.00 23.35 H new ATOM 0 HZ1 LYS A 574 -4.225 -35.647 9.971 1.00 14.12 H new ATOM 0 HZ2 LYS A 574 -5.608 -36.078 10.857 1.00 14.12 H new ATOM 0 HZ3 LYS A 574 -5.670 -34.780 9.765 1.00 14.12 H new ATOM 1117 N VAL A 575 -8.186 -30.454 13.333 1.00 31.43 N ATOM 1118 CA VAL A 575 -9.232 -30.432 14.289 1.00 34.22 C ATOM 1119 C VAL A 575 -9.257 -31.819 14.851 1.00 55.21 C ATOM 1120 O VAL A 575 -9.348 -32.793 14.090 1.00 35.13 O ATOM 1121 CB VAL A 575 -10.602 -30.070 13.658 1.00 13.45 C ATOM 1122 CG1 VAL A 575 -11.693 -30.027 14.721 1.00 71.10 C ATOM 1123 CG2 VAL A 575 -10.520 -28.734 12.928 1.00 14.22 C ATOM 0 H VAL A 575 -8.493 -30.585 12.369 1.00 31.43 H new ATOM 0 HA VAL A 575 -9.058 -29.670 15.048 1.00 34.22 H new ATOM 0 HB VAL A 575 -10.857 -30.845 12.935 1.00 13.45 H new ATOM 0 HG11 VAL A 575 -12.645 -29.771 14.255 1.00 71.10 H new ATOM 0 HG12 VAL A 575 -11.774 -31.003 15.199 1.00 71.10 H new ATOM 0 HG13 VAL A 575 -11.442 -29.276 15.470 1.00 71.10 H new ATOM 0 HG21 VAL A 575 -11.491 -28.497 12.492 1.00 14.22 H new ATOM 0 HG22 VAL A 575 -10.238 -27.951 13.632 1.00 14.22 H new ATOM 0 HG23 VAL A 575 -9.773 -28.797 12.137 1.00 14.22 H new ATOM 1133 N ILE A 576 -9.102 -31.925 16.132 1.00 13.11 N ATOM 1134 CA ILE A 576 -8.983 -33.208 16.763 1.00 52.23 C ATOM 1135 C ILE A 576 -10.287 -33.948 16.644 1.00 23.22 C ATOM 1136 O ILE A 576 -11.360 -33.417 16.959 1.00 24.24 O ATOM 1137 CB ILE A 576 -8.535 -33.066 18.235 1.00 53.45 C ATOM 1138 CG1 ILE A 576 -7.264 -32.215 18.322 1.00 71.21 C ATOM 1139 CG2 ILE A 576 -8.317 -34.416 18.912 1.00 62.40 C ATOM 1140 CD1 ILE A 576 -6.098 -32.734 17.495 1.00 52.11 C ATOM 0 H ILE A 576 -9.054 -31.131 16.771 1.00 13.11 H new ATOM 0 HA ILE A 576 -8.211 -33.786 16.256 1.00 52.23 H new ATOM 0 HB ILE A 576 -9.343 -32.567 18.770 1.00 53.45 H new ATOM 0 HG12 ILE A 576 -7.499 -31.201 17.999 1.00 71.21 H new ATOM 0 HG13 ILE A 576 -6.954 -32.154 19.365 1.00 71.21 H new ATOM 0 HG21 ILE A 576 -8.003 -34.259 19.944 1.00 62.40 H new ATOM 0 HG22 ILE A 576 -9.247 -34.985 18.898 1.00 62.40 H new ATOM 0 HG23 ILE A 576 -7.545 -34.970 18.378 1.00 62.40 H new ATOM 0 HD11 ILE A 576 -5.242 -32.070 17.617 1.00 52.11 H new ATOM 0 HD12 ILE A 576 -5.831 -33.736 17.831 1.00 52.11 H new ATOM 0 HD13 ILE A 576 -6.384 -32.768 16.444 1.00 52.11 H new ATOM 1278 N LYS A 585 -16.528 -25.182 20.295 1.00 44.32 N ATOM 1279 CA LYS A 585 -15.158 -24.888 20.557 1.00 41.34 C ATOM 1280 C LYS A 585 -14.713 -23.867 19.544 1.00 42.52 C ATOM 1281 O LYS A 585 -14.774 -24.104 18.363 1.00 14.13 O ATOM 1282 CB LYS A 585 -14.327 -26.181 20.438 1.00 74.44 C ATOM 1283 CG LYS A 585 -14.799 -27.319 21.352 1.00 62.42 C ATOM 1284 CD LYS A 585 -14.614 -26.977 22.823 1.00 75.53 C ATOM 1285 CE LYS A 585 -15.221 -28.035 23.745 1.00 74.10 C ATOM 1286 NZ LYS A 585 -14.698 -29.406 23.509 1.00 71.25 N ATOM 0 HA LYS A 585 -15.022 -24.493 21.564 1.00 41.34 H new ATOM 0 HB2 LYS A 585 -14.357 -26.525 19.404 1.00 74.44 H new ATOM 0 HB3 LYS A 585 -13.286 -25.953 20.668 1.00 74.44 H new ATOM 0 HG2 LYS A 585 -15.851 -27.529 21.157 1.00 62.42 H new ATOM 0 HG3 LYS A 585 -14.244 -28.227 21.118 1.00 62.42 H new ATOM 0 HD2 LYS A 585 -13.550 -26.877 23.039 1.00 75.53 H new ATOM 0 HD3 LYS A 585 -15.074 -26.011 23.030 1.00 75.53 H new ATOM 0 HE2 LYS A 585 -15.028 -27.755 24.781 1.00 74.10 H new ATOM 0 HE3 LYS A 585 -16.303 -28.041 23.613 1.00 74.10 H new ATOM 0 HZ1 LYS A 585 -15.102 -30.057 24.212 1.00 71.25 H new ATOM 0 HZ2 LYS A 585 -14.964 -29.719 22.554 1.00 71.25 H new ATOM 0 HZ3 LYS A 585 -13.662 -29.402 23.596 1.00 71.25 H new ATOM 1300 N THR A 586 -14.294 -22.741 19.987 1.00 73.43 N ATOM 1301 CA THR A 586 -13.901 -21.724 19.074 1.00 41.12 C ATOM 1302 C THR A 586 -12.601 -21.073 19.492 1.00 3.20 C ATOM 1303 O THR A 586 -12.437 -20.612 20.622 1.00 75.31 O ATOM 1304 CB THR A 586 -15.054 -20.697 18.765 1.00 15.12 C ATOM 1305 OG1 THR A 586 -14.592 -19.622 17.942 1.00 64.12 O ATOM 1306 CG2 THR A 586 -15.689 -20.135 20.015 1.00 63.34 C ATOM 0 H THR A 586 -14.213 -22.496 20.974 1.00 73.43 H new ATOM 0 HA THR A 586 -13.704 -22.210 18.119 1.00 41.12 H new ATOM 0 HB THR A 586 -15.815 -21.262 18.227 1.00 15.12 H new ATOM 0 HG1 THR A 586 -13.946 -19.964 17.289 1.00 64.12 H new ATOM 0 HG21 THR A 586 -16.476 -19.433 19.739 1.00 63.34 H new ATOM 0 HG22 THR A 586 -16.116 -20.947 20.603 1.00 63.34 H new ATOM 0 HG23 THR A 586 -14.933 -19.618 20.606 1.00 63.34 H new ATOM 1314 N PHE A 587 -11.671 -21.079 18.595 1.00 1.42 N ATOM 1315 CA PHE A 587 -10.378 -20.533 18.857 1.00 10.34 C ATOM 1316 C PHE A 587 -10.107 -19.418 17.890 1.00 41.33 C ATOM 1317 O PHE A 587 -10.922 -19.144 17.019 1.00 12.54 O ATOM 1318 CB PHE A 587 -9.279 -21.611 18.812 1.00 41.32 C ATOM 1319 CG PHE A 587 -9.053 -22.288 17.484 1.00 64.31 C ATOM 1320 CD1 PHE A 587 -9.847 -23.345 17.073 1.00 2.31 C ATOM 1321 CD2 PHE A 587 -8.012 -21.887 16.667 1.00 35.52 C ATOM 1322 CE1 PHE A 587 -9.601 -23.981 15.873 1.00 4.35 C ATOM 1323 CE2 PHE A 587 -7.771 -22.517 15.467 1.00 12.01 C ATOM 1324 CZ PHE A 587 -8.563 -23.566 15.072 1.00 13.45 C ATOM 0 H PHE A 587 -11.785 -21.463 17.657 1.00 1.42 H new ATOM 0 HA PHE A 587 -10.365 -20.132 19.870 1.00 10.34 H new ATOM 0 HB2 PHE A 587 -8.340 -21.154 19.126 1.00 41.32 H new ATOM 0 HB3 PHE A 587 -9.523 -22.377 19.548 1.00 41.32 H new ATOM 0 HD1 PHE A 587 -10.665 -23.674 17.696 1.00 2.31 H new ATOM 0 HD2 PHE A 587 -7.379 -21.068 16.975 1.00 35.52 H new ATOM 0 HE1 PHE A 587 -10.225 -24.806 15.562 1.00 4.35 H new ATOM 0 HE2 PHE A 587 -6.959 -22.186 14.837 1.00 12.01 H new ATOM 0 HZ PHE A 587 -8.371 -24.065 14.133 1.00 13.45 H new ATOM 1334 N PHE A 588 -8.989 -18.789 18.026 1.00 2.41 N ATOM 1335 CA PHE A 588 -8.670 -17.671 17.200 1.00 55.50 C ATOM 1336 C PHE A 588 -7.373 -17.931 16.487 1.00 24.40 C ATOM 1337 O PHE A 588 -6.522 -18.673 16.983 1.00 23.03 O ATOM 1338 CB PHE A 588 -8.616 -16.371 18.033 1.00 20.15 C ATOM 1339 CG PHE A 588 -9.939 -15.995 18.656 1.00 22.43 C ATOM 1340 CD1 PHE A 588 -10.375 -16.598 19.835 1.00 32.24 C ATOM 1341 CD2 PHE A 588 -10.751 -15.060 18.050 1.00 31.32 C ATOM 1342 CE1 PHE A 588 -11.599 -16.267 20.390 1.00 63.50 C ATOM 1343 CE2 PHE A 588 -11.971 -14.725 18.597 1.00 62.25 C ATOM 1344 CZ PHE A 588 -12.397 -15.330 19.767 1.00 2.11 C ATOM 0 H PHE A 588 -8.272 -19.033 18.709 1.00 2.41 H new ATOM 0 HA PHE A 588 -9.452 -17.537 16.453 1.00 55.50 H new ATOM 0 HB2 PHE A 588 -7.872 -16.486 18.822 1.00 20.15 H new ATOM 0 HB3 PHE A 588 -8.280 -15.554 17.394 1.00 20.15 H new ATOM 0 HD1 PHE A 588 -9.750 -17.332 20.321 1.00 32.24 H new ATOM 0 HD2 PHE A 588 -10.427 -14.584 17.136 1.00 31.32 H new ATOM 0 HE1 PHE A 588 -11.927 -16.739 21.304 1.00 63.50 H new ATOM 0 HE2 PHE A 588 -12.596 -13.989 18.112 1.00 62.25 H new ATOM 0 HZ PHE A 588 -13.355 -15.068 20.192 1.00 2.11 H new ATOM 1354 N LEU A 589 -7.242 -17.383 15.329 1.00 42.42 N ATOM 1355 CA LEU A 589 -6.051 -17.535 14.549 1.00 45.54 C ATOM 1356 C LEU A 589 -5.507 -16.147 14.326 1.00 10.31 C ATOM 1357 O LEU A 589 -6.266 -15.233 13.972 1.00 10.23 O ATOM 1358 CB LEU A 589 -6.394 -18.170 13.189 1.00 2.22 C ATOM 1359 CG LEU A 589 -5.375 -19.147 12.560 1.00 15.40 C ATOM 1360 CD1 LEU A 589 -3.994 -18.538 12.388 1.00 34.21 C ATOM 1361 CD2 LEU A 589 -5.310 -20.423 13.359 1.00 14.44 C ATOM 0 H LEU A 589 -7.962 -16.811 14.888 1.00 42.42 H new ATOM 0 HA LEU A 589 -5.329 -18.175 15.056 1.00 45.54 H new ATOM 0 HB2 LEU A 589 -7.340 -18.701 13.299 1.00 2.22 H new ATOM 0 HB3 LEU A 589 -6.563 -17.362 12.478 1.00 2.22 H new ATOM 0 HG LEU A 589 -5.732 -19.374 11.555 1.00 15.40 H new ATOM 0 HD11 LEU A 589 -3.325 -19.274 11.942 1.00 34.21 H new ATOM 0 HD12 LEU A 589 -4.059 -17.666 11.738 1.00 34.21 H new ATOM 0 HD13 LEU A 589 -3.605 -18.237 13.361 1.00 34.21 H new ATOM 0 HD21 LEU A 589 -4.588 -21.101 12.904 1.00 14.44 H new ATOM 0 HD22 LEU A 589 -5.002 -20.198 14.380 1.00 14.44 H new ATOM 0 HD23 LEU A 589 -6.293 -20.895 13.372 1.00 14.44 H new ATOM 1373 N GLU A 590 -4.244 -15.961 14.556 1.00 44.32 N ATOM 1374 CA GLU A 590 -3.654 -14.685 14.311 1.00 35.33 C ATOM 1375 C GLU A 590 -2.470 -14.824 13.397 1.00 71.14 C ATOM 1376 O GLU A 590 -1.577 -15.665 13.630 1.00 31.44 O ATOM 1377 CB GLU A 590 -3.234 -13.978 15.601 1.00 32.01 C ATOM 1378 CG GLU A 590 -2.598 -12.619 15.345 1.00 62.22 C ATOM 1379 CD GLU A 590 -2.144 -11.922 16.585 1.00 51.33 C ATOM 1380 OE1 GLU A 590 -1.103 -12.322 17.156 1.00 4.45 O ATOM 1381 OE2 GLU A 590 -2.785 -10.926 16.987 1.00 13.02 O ATOM 0 H GLU A 590 -3.606 -16.673 14.911 1.00 44.32 H new ATOM 0 HA GLU A 590 -4.416 -14.069 13.834 1.00 35.33 H new ATOM 0 HB2 GLU A 590 -4.107 -13.851 16.242 1.00 32.01 H new ATOM 0 HB3 GLU A 590 -2.529 -14.608 16.143 1.00 32.01 H new ATOM 0 HG2 GLU A 590 -1.745 -12.747 14.679 1.00 62.22 H new ATOM 0 HG3 GLU A 590 -3.316 -11.985 14.825 1.00 62.22 H new ATOM 1388 N ILE A 591 -2.469 -14.041 12.360 1.00 23.34 N ATOM 1389 CA ILE A 591 -1.354 -13.966 11.474 1.00 71.51 C ATOM 1390 C ILE A 591 -0.558 -12.739 11.834 1.00 2.11 C ATOM 1391 O ILE A 591 -1.135 -11.695 12.189 1.00 21.11 O ATOM 1392 CB ILE A 591 -1.758 -13.953 9.973 1.00 2.20 C ATOM 1393 CG1 ILE A 591 -2.759 -12.822 9.666 1.00 44.34 C ATOM 1394 CG2 ILE A 591 -2.316 -15.309 9.575 1.00 72.05 C ATOM 1395 CD1 ILE A 591 -3.161 -12.726 8.207 1.00 52.44 C ATOM 0 H ILE A 591 -3.248 -13.434 12.106 1.00 23.34 H new ATOM 0 HA ILE A 591 -0.754 -14.867 11.597 1.00 71.51 H new ATOM 0 HB ILE A 591 -0.866 -13.756 9.378 1.00 2.20 H new ATOM 0 HG12 ILE A 591 -3.655 -12.971 10.269 1.00 44.34 H new ATOM 0 HG13 ILE A 591 -2.322 -11.872 9.974 1.00 44.34 H new ATOM 0 HG21 ILE A 591 -2.597 -15.292 8.522 1.00 72.05 H new ATOM 0 HG22 ILE A 591 -1.558 -16.076 9.736 1.00 72.05 H new ATOM 0 HG23 ILE A 591 -3.194 -15.533 10.181 1.00 72.05 H new ATOM 0 HD11 ILE A 591 -3.867 -11.905 8.077 1.00 52.44 H new ATOM 0 HD12 ILE A 591 -2.276 -12.544 7.597 1.00 52.44 H new ATOM 0 HD13 ILE A 591 -3.629 -13.660 7.896 1.00 52.44 H new ATOM 1407 N GLY A 592 0.728 -12.872 11.801 1.00 25.32 N ATOM 1408 CA GLY A 592 1.587 -11.807 12.192 1.00 32.50 C ATOM 1409 C GLY A 592 1.851 -10.858 11.070 1.00 64.12 C ATOM 1410 O GLY A 592 1.327 -11.023 9.960 1.00 51.02 O ATOM 0 H GLY A 592 1.210 -13.720 11.503 1.00 25.32 H new ATOM 0 HA2 GLY A 592 1.138 -11.267 13.025 1.00 32.50 H new ATOM 0 HA3 GLY A 592 2.532 -12.216 12.550 1.00 32.50 H new ATOM 1414 N GLU A 593 2.661 -9.879 11.344 1.00 33.23 N ATOM 1415 CA GLU A 593 2.991 -8.884 10.377 1.00 75.34 C ATOM 1416 C GLU A 593 3.919 -9.447 9.323 1.00 2.11 C ATOM 1417 O GLU A 593 4.923 -10.108 9.647 1.00 13.42 O ATOM 1418 CB GLU A 593 3.547 -7.649 11.063 1.00 33.33 C ATOM 1419 CG GLU A 593 2.497 -6.995 11.930 1.00 60.24 C ATOM 1420 CD GLU A 593 3.000 -5.851 12.742 1.00 74.04 C ATOM 1421 OE1 GLU A 593 3.447 -6.087 13.887 1.00 34.03 O ATOM 1422 OE2 GLU A 593 2.885 -4.691 12.296 1.00 3.10 O ATOM 0 H GLU A 593 3.112 -9.751 12.250 1.00 33.23 H new ATOM 0 HA GLU A 593 2.087 -8.574 9.853 1.00 75.34 H new ATOM 0 HB2 GLU A 593 4.408 -7.923 11.672 1.00 33.33 H new ATOM 0 HB3 GLU A 593 3.899 -6.940 10.314 1.00 33.33 H new ATOM 0 HG2 GLU A 593 1.684 -6.645 11.294 1.00 60.24 H new ATOM 0 HG3 GLU A 593 2.077 -7.745 12.600 1.00 60.24 H new ATOM 1429 N PRO A 594 3.562 -9.239 8.051 1.00 45.42 N ATOM 1430 CA PRO A 594 4.300 -9.770 6.923 1.00 21.51 C ATOM 1431 C PRO A 594 5.746 -9.284 6.885 1.00 61.31 C ATOM 1432 O PRO A 594 6.035 -8.081 6.977 1.00 21.33 O ATOM 1433 CB PRO A 594 3.524 -9.292 5.690 1.00 41.53 C ATOM 1434 CG PRO A 594 2.614 -8.227 6.171 1.00 42.10 C ATOM 1435 CD PRO A 594 2.390 -8.459 7.628 1.00 24.24 C ATOM 0 HA PRO A 594 4.374 -10.856 6.978 1.00 21.51 H new ATOM 0 HB2 PRO A 594 4.201 -8.911 4.926 1.00 41.53 H new ATOM 0 HB3 PRO A 594 2.963 -10.111 5.240 1.00 41.53 H new ATOM 0 HG2 PRO A 594 3.051 -7.243 6.001 1.00 42.10 H new ATOM 0 HG3 PRO A 594 1.669 -8.254 5.628 1.00 42.10 H new ATOM 0 HD2 PRO A 594 2.318 -7.519 8.175 1.00 24.24 H new ATOM 0 HD3 PRO A 594 1.463 -9.004 7.807 1.00 24.24 H new ATOM 1443 N ARG A 595 6.637 -10.218 6.758 1.00 60.12 N ATOM 1444 CA ARG A 595 8.039 -9.941 6.735 1.00 63.54 C ATOM 1445 C ARG A 595 8.546 -10.062 5.301 1.00 51.33 C ATOM 1446 O ARG A 595 8.349 -11.092 4.642 1.00 40.41 O ATOM 1447 CB ARG A 595 8.793 -10.896 7.722 1.00 71.00 C ATOM 1448 CG ARG A 595 8.652 -12.389 7.403 1.00 10.13 C ATOM 1449 CD ARG A 595 9.117 -13.308 8.541 1.00 34.12 C ATOM 1450 NE ARG A 595 10.529 -13.141 8.896 1.00 33.22 N ATOM 1451 CZ ARG A 595 11.315 -14.103 9.429 1.00 61.44 C ATOM 1452 NH1 ARG A 595 10.871 -15.359 9.586 1.00 24.33 N ATOM 1453 NH2 ARG A 595 12.554 -13.809 9.788 1.00 42.01 N ATOM 0 H ARG A 595 6.407 -11.208 6.666 1.00 60.12 H new ATOM 0 HA ARG A 595 8.232 -8.923 7.074 1.00 63.54 H new ATOM 0 HB2 ARG A 595 9.852 -10.636 7.720 1.00 71.00 H new ATOM 0 HB3 ARG A 595 8.423 -10.718 8.732 1.00 71.00 H new ATOM 0 HG2 ARG A 595 7.608 -12.606 7.175 1.00 10.13 H new ATOM 0 HG3 ARG A 595 9.228 -12.616 6.506 1.00 10.13 H new ATOM 0 HD2 ARG A 595 8.505 -13.117 9.423 1.00 34.12 H new ATOM 0 HD3 ARG A 595 8.945 -14.345 8.252 1.00 34.12 H new ATOM 0 HE ARG A 595 10.952 -12.228 8.728 1.00 33.22 H new ATOM 0 HH11 ARG A 595 9.923 -15.604 9.301 1.00 24.33 H new ATOM 0 HH12 ARG A 595 11.482 -16.069 9.990 1.00 24.33 H new ATOM 0 HH21 ARG A 595 12.910 -12.862 9.662 1.00 42.01 H new ATOM 0 HH22 ARG A 595 13.153 -14.530 10.191 1.00 42.01 H new ATOM 1467 N LEU A 596 9.079 -8.972 4.785 1.00 72.21 N ATOM 1468 CA LEU A 596 9.684 -8.953 3.482 1.00 64.34 C ATOM 1469 C LEU A 596 10.932 -9.810 3.558 1.00 20.35 C ATOM 1470 O LEU A 596 11.760 -9.631 4.464 1.00 22.30 O ATOM 1471 CB LEU A 596 10.040 -7.490 3.112 1.00 54.21 C ATOM 1472 CG LEU A 596 10.316 -7.159 1.623 1.00 70.22 C ATOM 1473 CD1 LEU A 596 11.626 -7.750 1.113 1.00 64.35 C ATOM 1474 CD2 LEU A 596 9.157 -7.633 0.775 1.00 0.12 C ATOM 0 H LEU A 596 9.101 -8.073 5.266 1.00 72.21 H new ATOM 0 HA LEU A 596 9.011 -9.342 2.717 1.00 64.34 H new ATOM 0 HB2 LEU A 596 9.222 -6.853 3.449 1.00 54.21 H new ATOM 0 HB3 LEU A 596 10.922 -7.207 3.686 1.00 54.21 H new ATOM 0 HG LEU A 596 10.417 -6.076 1.546 1.00 70.22 H new ATOM 0 HD11 LEU A 596 11.762 -7.483 0.065 1.00 64.35 H new ATOM 0 HD12 LEU A 596 12.456 -7.355 1.699 1.00 64.35 H new ATOM 0 HD13 LEU A 596 11.598 -8.835 1.210 1.00 64.35 H new ATOM 0 HD21 LEU A 596 9.353 -7.400 -0.272 1.00 0.12 H new ATOM 0 HD22 LEU A 596 9.038 -8.710 0.890 1.00 0.12 H new ATOM 0 HD23 LEU A 596 8.244 -7.131 1.094 1.00 0.12 H new ATOM 1486 N VAL A 597 11.063 -10.728 2.649 1.00 24.51 N ATOM 1487 CA VAL A 597 12.182 -11.627 2.674 1.00 42.42 C ATOM 1488 C VAL A 597 13.392 -10.997 2.025 1.00 1.31 C ATOM 1489 O VAL A 597 13.516 -10.956 0.790 1.00 61.54 O ATOM 1490 CB VAL A 597 11.867 -13.001 2.023 1.00 55.02 C ATOM 1491 CG1 VAL A 597 13.060 -13.951 2.118 1.00 35.34 C ATOM 1492 CG2 VAL A 597 10.659 -13.622 2.682 1.00 52.55 C ATOM 0 H VAL A 597 10.410 -10.876 1.880 1.00 24.51 H new ATOM 0 HA VAL A 597 12.402 -11.819 3.724 1.00 42.42 H new ATOM 0 HB VAL A 597 11.656 -12.831 0.967 1.00 55.02 H new ATOM 0 HG11 VAL A 597 12.805 -14.903 1.653 1.00 35.34 H new ATOM 0 HG12 VAL A 597 13.915 -13.513 1.604 1.00 35.34 H new ATOM 0 HG13 VAL A 597 13.312 -14.115 3.166 1.00 35.34 H new ATOM 0 HG21 VAL A 597 10.446 -14.585 2.218 1.00 52.55 H new ATOM 0 HG22 VAL A 597 10.858 -13.767 3.744 1.00 52.55 H new ATOM 0 HG23 VAL A 597 9.799 -12.963 2.560 1.00 52.55 H new ATOM 2079 N PRO A 634 5.744 -4.975 3.210 1.00 24.35 N ATOM 2080 CA PRO A 634 4.451 -5.473 2.867 1.00 25.12 C ATOM 2081 C PRO A 634 3.636 -5.393 4.148 1.00 73.43 C ATOM 2082 O PRO A 634 4.160 -5.702 5.226 1.00 12.52 O ATOM 2083 CB PRO A 634 4.710 -6.929 2.469 1.00 11.33 C ATOM 2084 CG PRO A 634 6.003 -7.276 3.128 1.00 21.35 C ATOM 2085 CD PRO A 634 6.779 -6.011 3.196 1.00 65.54 C ATOM 0 HA PRO A 634 3.930 -4.942 2.071 1.00 25.12 H new ATOM 0 HB2 PRO A 634 3.905 -7.581 2.807 1.00 11.33 H new ATOM 0 HB3 PRO A 634 4.775 -7.038 1.386 1.00 11.33 H new ATOM 0 HG2 PRO A 634 5.836 -7.685 4.124 1.00 21.35 H new ATOM 0 HG3 PRO A 634 6.541 -8.034 2.558 1.00 21.35 H new ATOM 0 HD2 PRO A 634 7.401 -5.969 4.090 1.00 65.54 H new ATOM 0 HD3 PRO A 634 7.445 -5.902 2.340 1.00 65.54 H new ATOM 2093 N ILE A 635 2.415 -4.971 4.086 1.00 13.43 N ATOM 2094 CA ILE A 635 1.699 -4.766 5.311 1.00 43.10 C ATOM 2095 C ILE A 635 0.413 -5.541 5.367 1.00 35.23 C ATOM 2096 O ILE A 635 -0.019 -6.139 4.373 1.00 23.23 O ATOM 2097 CB ILE A 635 1.517 -3.238 5.675 1.00 74.50 C ATOM 2098 CG1 ILE A 635 0.832 -2.408 4.562 1.00 24.11 C ATOM 2099 CG2 ILE A 635 2.854 -2.608 6.038 1.00 25.24 C ATOM 2100 CD1 ILE A 635 -0.667 -2.581 4.460 1.00 2.22 C ATOM 0 H ILE A 635 1.901 -4.765 3.229 1.00 13.43 H new ATOM 0 HA ILE A 635 2.331 -5.178 6.098 1.00 43.10 H new ATOM 0 HB ILE A 635 0.849 -3.218 6.536 1.00 74.50 H new ATOM 0 HG12 ILE A 635 1.049 -1.353 4.731 1.00 24.11 H new ATOM 0 HG13 ILE A 635 1.279 -2.676 3.604 1.00 24.11 H new ATOM 0 HG21 ILE A 635 2.706 -1.557 6.285 1.00 25.24 H new ATOM 0 HG22 ILE A 635 3.279 -3.126 6.898 1.00 25.24 H new ATOM 0 HG23 ILE A 635 3.536 -2.689 5.192 1.00 25.24 H new ATOM 0 HD11 ILE A 635 -1.051 -1.959 3.652 1.00 2.22 H new ATOM 0 HD12 ILE A 635 -0.900 -3.626 4.255 1.00 2.22 H new ATOM 0 HD13 ILE A 635 -1.132 -2.283 5.400 1.00 2.22 H new ATOM 2112 N LEU A 636 -0.164 -5.581 6.522 1.00 4.22 N ATOM 2113 CA LEU A 636 -1.371 -6.303 6.713 1.00 21.55 C ATOM 2114 C LEU A 636 -2.577 -5.402 6.682 1.00 63.24 C ATOM 2115 O LEU A 636 -2.449 -4.169 6.637 1.00 3.13 O ATOM 2116 CB LEU A 636 -1.317 -7.210 7.962 1.00 74.25 C ATOM 2117 CG LEU A 636 -0.731 -6.648 9.281 1.00 64.43 C ATOM 2118 CD1 LEU A 636 -1.508 -5.451 9.814 1.00 34.04 C ATOM 2119 CD2 LEU A 636 -0.708 -7.746 10.314 1.00 55.33 C ATOM 0 H LEU A 636 0.190 -5.114 7.357 1.00 4.22 H new ATOM 0 HA LEU A 636 -1.481 -6.978 5.864 1.00 21.55 H new ATOM 0 HB2 LEU A 636 -2.334 -7.542 8.170 1.00 74.25 H new ATOM 0 HB3 LEU A 636 -0.740 -8.097 7.699 1.00 74.25 H new ATOM 0 HG LEU A 636 0.278 -6.295 9.069 1.00 64.43 H new ATOM 0 HD11 LEU A 636 -1.049 -5.102 10.739 1.00 34.04 H new ATOM 0 HD12 LEU A 636 -1.492 -4.649 9.076 1.00 34.04 H new ATOM 0 HD13 LEU A 636 -2.540 -5.744 10.008 1.00 34.04 H new ATOM 0 HD21 LEU A 636 -0.297 -7.360 11.247 1.00 55.33 H new ATOM 0 HD22 LEU A 636 -1.723 -8.105 10.486 1.00 55.33 H new ATOM 0 HD23 LEU A 636 -0.088 -8.568 9.957 1.00 55.33 H new ATOM 2131 N GLY A 637 -3.730 -6.013 6.686 1.00 64.34 N ATOM 2132 CA GLY A 637 -4.964 -5.291 6.638 1.00 1.20 C ATOM 2133 C GLY A 637 -5.277 -4.566 7.923 1.00 22.23 C ATOM 2134 O GLY A 637 -4.457 -4.520 8.840 1.00 32.53 O ATOM 0 H GLY A 637 -3.837 -7.027 6.723 1.00 64.34 H new ATOM 0 HA2 GLY A 637 -4.924 -4.570 5.822 1.00 1.20 H new ATOM 0 HA3 GLY A 637 -5.775 -5.984 6.412 1.00 1.20 H new ATOM 2138 N GLU A 638 -6.466 -4.024 7.996 1.00 3.53 N ATOM 2139 CA GLU A 638 -6.902 -3.272 9.146 1.00 74.25 C ATOM 2140 C GLU A 638 -6.922 -4.160 10.382 1.00 13.30 C ATOM 2141 O GLU A 638 -6.493 -3.748 11.455 1.00 34.53 O ATOM 2142 CB GLU A 638 -8.280 -2.661 8.885 1.00 42.12 C ATOM 2143 CG GLU A 638 -8.802 -1.773 10.003 1.00 11.42 C ATOM 2144 CD GLU A 638 -7.894 -0.607 10.295 1.00 13.42 C ATOM 2145 OE1 GLU A 638 -7.747 0.280 9.434 1.00 22.13 O ATOM 2146 OE2 GLU A 638 -7.309 -0.544 11.388 1.00 55.20 O ATOM 0 H GLU A 638 -7.163 -4.092 7.255 1.00 3.53 H new ATOM 0 HA GLU A 638 -6.198 -2.460 9.326 1.00 74.25 H new ATOM 0 HB2 GLU A 638 -8.235 -2.077 7.966 1.00 42.12 H new ATOM 0 HB3 GLU A 638 -8.994 -3.467 8.716 1.00 42.12 H new ATOM 0 HG2 GLU A 638 -9.790 -1.400 9.733 1.00 11.42 H new ATOM 0 HG3 GLU A 638 -8.923 -2.369 10.908 1.00 11.42 H new ATOM 2153 N HIS A 639 -7.382 -5.373 10.223 1.00 41.20 N ATOM 2154 CA HIS A 639 -7.425 -6.307 11.318 1.00 11.42 C ATOM 2155 C HIS A 639 -7.052 -7.688 10.835 1.00 25.02 C ATOM 2156 O HIS A 639 -7.499 -8.133 9.767 1.00 54.54 O ATOM 2157 CB HIS A 639 -8.804 -6.302 12.045 1.00 64.12 C ATOM 2158 CG HIS A 639 -10.001 -6.659 11.193 1.00 54.52 C ATOM 2159 ND1 HIS A 639 -10.764 -7.797 11.368 1.00 53.32 N ATOM 2160 CD2 HIS A 639 -10.579 -5.980 10.172 1.00 62.14 C ATOM 2161 CE1 HIS A 639 -11.750 -7.777 10.475 1.00 22.44 C ATOM 2162 NE2 HIS A 639 -11.687 -6.688 9.718 1.00 54.12 N ATOM 0 H HIS A 639 -7.735 -5.740 9.339 1.00 41.20 H new ATOM 0 HA HIS A 639 -6.691 -5.990 12.059 1.00 11.42 H new ATOM 0 HB2 HIS A 639 -8.755 -7.001 12.880 1.00 64.12 H new ATOM 0 HB3 HIS A 639 -8.966 -5.311 12.468 1.00 64.12 H new ATOM 0 HD2 HIS A 639 -10.234 -5.037 9.774 1.00 62.14 H new ATOM 0 HE1 HIS A 639 -12.503 -8.545 10.379 1.00 22.44 H new ATOM 0 HE2 HIS A 639 -12.319 -6.425 8.962 1.00 54.12 H new ATOM 2170 N THR A 640 -6.193 -8.331 11.562 1.00 33.43 N ATOM 2171 CA THR A 640 -5.788 -9.652 11.249 1.00 13.21 C ATOM 2172 C THR A 640 -6.109 -10.577 12.400 1.00 5.33 C ATOM 2173 O THR A 640 -5.362 -10.676 13.384 1.00 2.21 O ATOM 2174 CB THR A 640 -4.300 -9.709 10.868 1.00 4.05 C ATOM 2175 OG1 THR A 640 -3.522 -8.953 11.813 1.00 43.12 O ATOM 2176 CG2 THR A 640 -4.090 -9.145 9.473 1.00 70.40 C ATOM 0 H THR A 640 -5.753 -7.944 12.397 1.00 33.43 H new ATOM 0 HA THR A 640 -6.346 -9.989 10.376 1.00 13.21 H new ATOM 0 HB THR A 640 -3.978 -10.750 10.883 1.00 4.05 H new ATOM 0 HG1 THR A 640 -3.792 -9.192 12.724 1.00 43.12 H new ATOM 0 HG21 THR A 640 -3.032 -9.192 9.217 1.00 70.40 H new ATOM 0 HG22 THR A 640 -4.663 -9.730 8.754 1.00 70.40 H new ATOM 0 HG23 THR A 640 -4.424 -8.108 9.446 1.00 70.40 H new ATOM 2184 N LYS A 641 -7.239 -11.212 12.296 1.00 1.52 N ATOM 2185 CA LYS A 641 -7.735 -12.074 13.326 1.00 10.13 C ATOM 2186 C LYS A 641 -8.790 -12.941 12.718 1.00 12.40 C ATOM 2187 O LYS A 641 -9.512 -12.500 11.826 1.00 10.03 O ATOM 2188 CB LYS A 641 -8.330 -11.253 14.489 1.00 2.23 C ATOM 2189 CG LYS A 641 -8.906 -12.094 15.619 1.00 4.31 C ATOM 2190 CD LYS A 641 -9.581 -11.256 16.705 1.00 31.33 C ATOM 2191 CE LYS A 641 -8.602 -10.530 17.654 1.00 5.24 C ATOM 2192 NZ LYS A 641 -7.749 -9.495 17.017 1.00 33.24 N ATOM 0 H LYS A 641 -7.850 -11.144 11.482 1.00 1.52 H new ATOM 0 HA LYS A 641 -6.923 -12.678 13.732 1.00 10.13 H new ATOM 0 HB2 LYS A 641 -7.554 -10.604 14.894 1.00 2.23 H new ATOM 0 HB3 LYS A 641 -9.115 -10.606 14.097 1.00 2.23 H new ATOM 0 HG2 LYS A 641 -9.630 -12.797 15.208 1.00 4.31 H new ATOM 0 HG3 LYS A 641 -8.108 -12.685 16.068 1.00 4.31 H new ATOM 0 HD2 LYS A 641 -10.222 -10.515 16.228 1.00 31.33 H new ATOM 0 HD3 LYS A 641 -10.228 -11.904 17.297 1.00 31.33 H new ATOM 0 HE2 LYS A 641 -9.177 -10.062 18.453 1.00 5.24 H new ATOM 0 HE3 LYS A 641 -7.955 -11.273 18.120 1.00 5.24 H new ATOM 0 HZ1 LYS A 641 -7.597 -8.712 17.684 1.00 33.24 H new ATOM 0 HZ2 LYS A 641 -6.832 -9.912 16.758 1.00 33.24 H new ATOM 0 HZ3 LYS A 641 -8.220 -9.135 16.162 1.00 33.24 H new ATOM 2206 N LEU A 642 -8.837 -14.156 13.138 1.00 32.31 N ATOM 2207 CA LEU A 642 -9.797 -15.077 12.654 1.00 51.15 C ATOM 2208 C LEU A 642 -10.428 -15.793 13.810 1.00 14.42 C ATOM 2209 O LEU A 642 -9.725 -16.244 14.711 1.00 51.32 O ATOM 2210 CB LEU A 642 -9.099 -16.091 11.801 1.00 44.11 C ATOM 2211 CG LEU A 642 -9.955 -17.182 11.217 1.00 52.24 C ATOM 2212 CD1 LEU A 642 -10.850 -16.656 10.124 1.00 14.03 C ATOM 2213 CD2 LEU A 642 -9.088 -18.293 10.730 1.00 3.52 C ATOM 0 H LEU A 642 -8.201 -14.541 13.836 1.00 32.31 H new ATOM 0 HA LEU A 642 -10.558 -14.546 12.082 1.00 51.15 H new ATOM 0 HB2 LEU A 642 -8.608 -15.567 10.981 1.00 44.11 H new ATOM 0 HB3 LEU A 642 -8.314 -16.556 12.397 1.00 44.11 H new ATOM 0 HG LEU A 642 -10.610 -17.569 11.998 1.00 52.24 H new ATOM 0 HD11 LEU A 642 -11.454 -17.471 9.725 1.00 14.03 H new ATOM 0 HD12 LEU A 642 -11.504 -15.884 10.529 1.00 14.03 H new ATOM 0 HD13 LEU A 642 -10.240 -16.232 9.326 1.00 14.03 H new ATOM 0 HD21 LEU A 642 -9.710 -19.082 10.308 1.00 3.52 H new ATOM 0 HD22 LEU A 642 -8.410 -17.916 9.964 1.00 3.52 H new ATOM 0 HD23 LEU A 642 -8.509 -18.694 11.562 1.00 3.52 H new ATOM 2225 N GLU A 643 -11.716 -15.877 13.799 1.00 40.21 N ATOM 2226 CA GLU A 643 -12.431 -16.646 14.771 1.00 21.32 C ATOM 2227 C GLU A 643 -12.754 -17.988 14.129 1.00 24.54 C ATOM 2228 O GLU A 643 -13.405 -18.029 13.104 1.00 22.00 O ATOM 2229 CB GLU A 643 -13.722 -15.930 15.147 1.00 10.23 C ATOM 2230 CG GLU A 643 -14.519 -16.623 16.226 1.00 71.34 C ATOM 2231 CD GLU A 643 -15.804 -15.915 16.535 1.00 4.14 C ATOM 2232 OE1 GLU A 643 -15.815 -15.000 17.390 1.00 54.15 O ATOM 2233 OE2 GLU A 643 -16.837 -16.267 15.975 1.00 24.42 O ATOM 0 H GLU A 643 -12.310 -15.412 13.112 1.00 40.21 H new ATOM 0 HA GLU A 643 -11.838 -16.779 15.676 1.00 21.32 H new ATOM 0 HB2 GLU A 643 -13.481 -14.920 15.480 1.00 10.23 H new ATOM 0 HB3 GLU A 643 -14.344 -15.833 14.257 1.00 10.23 H new ATOM 0 HG2 GLU A 643 -14.737 -17.644 15.913 1.00 71.34 H new ATOM 0 HG3 GLU A 643 -13.917 -16.689 17.132 1.00 71.34 H new ATOM 2240 N VAL A 644 -12.263 -19.055 14.680 1.00 13.40 N ATOM 2241 CA VAL A 644 -12.513 -20.367 14.130 1.00 62.05 C ATOM 2242 C VAL A 644 -13.492 -21.095 15.020 1.00 14.11 C ATOM 2243 O VAL A 644 -13.207 -21.327 16.190 1.00 43.33 O ATOM 2244 CB VAL A 644 -11.223 -21.211 14.032 1.00 0.05 C ATOM 2245 CG1 VAL A 644 -11.509 -22.543 13.363 1.00 64.31 C ATOM 2246 CG2 VAL A 644 -10.129 -20.467 13.290 1.00 71.43 C ATOM 0 H VAL A 644 -11.681 -19.050 15.518 1.00 13.40 H new ATOM 0 HA VAL A 644 -12.912 -20.234 13.125 1.00 62.05 H new ATOM 0 HB VAL A 644 -10.869 -21.397 15.046 1.00 0.05 H new ATOM 0 HG11 VAL A 644 -10.589 -23.125 13.302 1.00 64.31 H new ATOM 0 HG12 VAL A 644 -12.248 -23.092 13.947 1.00 64.31 H new ATOM 0 HG13 VAL A 644 -11.896 -22.370 12.359 1.00 64.31 H new ATOM 0 HG21 VAL A 644 -9.236 -21.089 13.239 1.00 71.43 H new ATOM 0 HG22 VAL A 644 -10.467 -20.235 12.280 1.00 71.43 H new ATOM 0 HG23 VAL A 644 -9.897 -19.541 13.817 1.00 71.43 H new ATOM 2256 N ILE A 645 -14.632 -21.423 14.495 1.00 2.31 N ATOM 2257 CA ILE A 645 -15.648 -22.123 15.258 1.00 73.22 C ATOM 2258 C ILE A 645 -15.687 -23.584 14.877 1.00 33.12 C ATOM 2259 O ILE A 645 -15.885 -23.911 13.714 1.00 53.12 O ATOM 2260 CB ILE A 645 -17.034 -21.539 14.991 1.00 33.13 C ATOM 2261 CG1 ILE A 645 -17.052 -20.045 15.310 1.00 24.05 C ATOM 2262 CG2 ILE A 645 -18.084 -22.296 15.815 1.00 54.24 C ATOM 2263 CD1 ILE A 645 -18.243 -19.324 14.730 1.00 2.10 C ATOM 0 H ILE A 645 -14.895 -21.219 13.531 1.00 2.31 H new ATOM 0 HA ILE A 645 -15.391 -22.010 16.311 1.00 73.22 H new ATOM 0 HB ILE A 645 -17.276 -21.656 13.935 1.00 33.13 H new ATOM 0 HG12 ILE A 645 -17.047 -19.912 16.392 1.00 24.05 H new ATOM 0 HG13 ILE A 645 -16.139 -19.588 14.929 1.00 24.05 H new ATOM 0 HG21 ILE A 645 -19.071 -21.876 15.621 1.00 54.24 H new ATOM 0 HG22 ILE A 645 -18.077 -23.349 15.534 1.00 54.24 H new ATOM 0 HG23 ILE A 645 -17.851 -22.202 16.876 1.00 54.24 H new ATOM 0 HD11 ILE A 645 -18.193 -18.268 14.994 1.00 2.10 H new ATOM 0 HD12 ILE A 645 -18.238 -19.427 13.645 1.00 2.10 H new ATOM 0 HD13 ILE A 645 -19.160 -19.755 15.131 1.00 2.10 H new ATOM 2275 N ILE A 646 -15.514 -24.440 15.846 1.00 32.52 N ATOM 2276 CA ILE A 646 -15.596 -25.856 15.648 1.00 2.43 C ATOM 2277 C ILE A 646 -16.888 -26.375 16.273 1.00 35.24 C ATOM 2278 O ILE A 646 -17.029 -26.377 17.509 1.00 72.54 O ATOM 2279 CB ILE A 646 -14.439 -26.628 16.355 1.00 11.10 C ATOM 2280 CG1 ILE A 646 -13.057 -26.048 16.027 1.00 45.05 C ATOM 2281 CG2 ILE A 646 -14.494 -28.109 15.978 1.00 62.14 C ATOM 2282 CD1 ILE A 646 -11.939 -26.680 16.837 1.00 72.30 C ATOM 0 H ILE A 646 -15.309 -24.167 16.807 1.00 32.52 H new ATOM 0 HA ILE A 646 -15.545 -26.021 14.572 1.00 2.43 H new ATOM 0 HB ILE A 646 -14.584 -26.515 17.429 1.00 11.10 H new ATOM 0 HG12 ILE A 646 -12.853 -26.189 14.966 1.00 45.05 H new ATOM 0 HG13 ILE A 646 -13.068 -24.974 16.210 1.00 45.05 H new ATOM 0 HG21 ILE A 646 -13.683 -28.641 16.475 1.00 62.14 H new ATOM 0 HG22 ILE A 646 -15.450 -28.529 16.291 1.00 62.14 H new ATOM 0 HG23 ILE A 646 -14.388 -28.214 14.898 1.00 62.14 H new ATOM 0 HD11 ILE A 646 -10.987 -26.227 16.559 1.00 72.30 H new ATOM 0 HD12 ILE A 646 -12.122 -26.517 17.899 1.00 72.30 H new ATOM 0 HD13 ILE A 646 -11.904 -27.751 16.635 1.00 72.30 H new ATOM 2294 N GLU A 647 -17.827 -26.735 15.456 1.00 30.23 N ATOM 2295 CA GLU A 647 -18.953 -27.493 15.913 1.00 42.15 C ATOM 2296 C GLU A 647 -19.161 -28.562 14.877 1.00 63.53 C ATOM 2297 O GLU A 647 -18.797 -28.342 13.700 1.00 75.15 O ATOM 2298 CB GLU A 647 -20.262 -26.682 16.148 1.00 54.21 C ATOM 2299 CG GLU A 647 -20.915 -26.101 14.910 1.00 14.11 C ATOM 2300 CD GLU A 647 -22.340 -25.628 15.158 1.00 22.04 C ATOM 2301 OE1 GLU A 647 -22.550 -24.504 15.664 1.00 21.12 O ATOM 2302 OE2 GLU A 647 -23.287 -26.366 14.815 1.00 23.23 O ATOM 0 H GLU A 647 -17.837 -26.515 14.460 1.00 30.23 H new ATOM 0 HA GLU A 647 -18.730 -27.885 16.905 1.00 42.15 H new ATOM 0 HB2 GLU A 647 -20.984 -27.331 16.645 1.00 54.21 H new ATOM 0 HB3 GLU A 647 -20.041 -25.865 16.835 1.00 54.21 H new ATOM 0 HG2 GLU A 647 -20.317 -25.264 14.549 1.00 14.11 H new ATOM 0 HG3 GLU A 647 -20.919 -26.853 14.121 1.00 14.11 H new