USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 539 TYR OH : rot 180:sc= 0.484 USER MOD Set 1.2: A 556 THR OG1 : rot -80:sc= 0.536 USER MOD Set 2.1: A 506 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 639 THR OG1 : rot -59:sc= -0.429 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 521 MET CE :methyl 162:sc= -0.298 (180deg=-1.45) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 529 SER OG : rot 150:sc= -0.211 USER MOD Single : A 534 ASN : amide:sc= 0.562 K(o=0.56,f=-1.6) USER MOD Single : A 540 LYS NZ :NH3+ 165:sc= 0.255 (180deg=-0.0793) USER MOD Single : A 541 THR OG1 : rot 117:sc= 1.27 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0.516 USER MOD Single : A 557 CYS SG : rot 26:sc= 0.0329 USER MOD Single : A 563 GLN : amide:sc= 0.817 K(o=0.82,f=-0.54) USER MOD Single : A 564 ASN : amide:sc= 0.258 K(o=0.26,f=-6.3!) USER MOD Single : A 569 LYS NZ :NH3+ 178:sc= 0.609 (180deg=0.585) USER MOD Single : A 572 THR OG1 : rot 45:sc= 0.134 USER MOD Single : A 585 CYS SG : rot 120:sc= -1.36 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 588 SER OG : rot 180:sc= -0.221 USER MOD Single : A 595 LYS NZ :NH3+ 157:sc= 1.22 (180deg=1.05) USER MOD Single : A 638 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 640 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 4.017 -2.042 -5.267 1.00 72.35 N ATOM 29 CA GLY A 503 3.640 -2.430 -6.587 1.00 33.13 C ATOM 30 C GLY A 503 2.719 -3.617 -6.565 1.00 42.52 C ATOM 31 O GLY A 503 2.762 -4.402 -5.633 1.00 21.04 O ATOM 0 HA2 GLY A 503 3.149 -1.595 -7.087 1.00 33.13 H new ATOM 0 HA3 GLY A 503 4.532 -2.669 -7.167 1.00 33.13 H new ATOM 35 N ILE A 504 1.855 -3.694 -7.537 1.00 43.42 N ATOM 36 CA ILE A 504 0.949 -4.809 -7.716 1.00 45.44 C ATOM 37 C ILE A 504 1.122 -5.295 -9.133 1.00 20.24 C ATOM 38 O ILE A 504 0.856 -4.554 -10.074 1.00 73.52 O ATOM 39 CB ILE A 504 -0.537 -4.404 -7.480 1.00 62.11 C ATOM 40 CG1 ILE A 504 -0.740 -3.911 -6.042 1.00 15.15 C ATOM 41 CG2 ILE A 504 -1.480 -5.577 -7.781 1.00 23.24 C ATOM 42 CD1 ILE A 504 -2.131 -3.393 -5.769 1.00 23.44 C ATOM 0 H ILE A 504 1.753 -2.969 -8.248 1.00 43.42 H new ATOM 0 HA ILE A 504 1.183 -5.585 -6.987 1.00 45.44 H new ATOM 0 HB ILE A 504 -0.777 -3.590 -8.164 1.00 62.11 H new ATOM 0 HG12 ILE A 504 -0.524 -4.728 -5.353 1.00 15.15 H new ATOM 0 HG13 ILE A 504 -0.020 -3.120 -5.833 1.00 15.15 H new ATOM 0 HG21 ILE A 504 -2.511 -5.268 -7.609 1.00 23.24 H new ATOM 0 HG22 ILE A 504 -1.361 -5.882 -8.821 1.00 23.24 H new ATOM 0 HG23 ILE A 504 -1.238 -6.415 -7.128 1.00 23.24 H new ATOM 0 HD11 ILE A 504 -2.199 -3.062 -4.733 1.00 23.44 H new ATOM 0 HD12 ILE A 504 -2.344 -2.555 -6.432 1.00 23.44 H new ATOM 0 HD13 ILE A 504 -2.856 -4.188 -5.945 1.00 23.44 H new ATOM 54 N PHE A 505 1.608 -6.490 -9.287 1.00 45.32 N ATOM 55 CA PHE A 505 1.879 -7.026 -10.608 1.00 70.44 C ATOM 56 C PHE A 505 0.812 -8.016 -11.015 1.00 63.21 C ATOM 57 O PHE A 505 0.373 -8.842 -10.206 1.00 12.33 O ATOM 58 CB PHE A 505 3.256 -7.698 -10.633 1.00 71.54 C ATOM 59 CG PHE A 505 4.320 -6.833 -10.039 1.00 3.13 C ATOM 60 CD1 PHE A 505 4.856 -5.784 -10.756 1.00 73.22 C ATOM 61 CD2 PHE A 505 4.744 -7.045 -8.741 1.00 45.20 C ATOM 62 CE1 PHE A 505 5.807 -4.957 -10.192 1.00 33.01 C ATOM 63 CE2 PHE A 505 5.686 -6.219 -8.164 1.00 43.01 C ATOM 64 CZ PHE A 505 6.222 -5.172 -8.893 1.00 32.01 C ATOM 0 H PHE A 505 1.829 -7.122 -8.518 1.00 45.32 H new ATOM 0 HA PHE A 505 1.872 -6.201 -11.320 1.00 70.44 H new ATOM 0 HB2 PHE A 505 3.208 -8.639 -10.086 1.00 71.54 H new ATOM 0 HB3 PHE A 505 3.521 -7.941 -11.662 1.00 71.54 H new ATOM 0 HD1 PHE A 505 4.528 -5.607 -11.770 1.00 73.22 H new ATOM 0 HD2 PHE A 505 4.333 -7.866 -8.172 1.00 45.20 H new ATOM 0 HE1 PHE A 505 6.225 -4.143 -10.766 1.00 33.01 H new ATOM 0 HE2 PHE A 505 6.004 -6.389 -7.146 1.00 43.01 H new ATOM 0 HZ PHE A 505 6.963 -4.525 -8.447 1.00 32.01 H new ATOM 74 N THR A 506 0.386 -7.922 -12.242 1.00 31.20 N ATOM 75 CA THR A 506 -0.594 -8.810 -12.786 1.00 44.02 C ATOM 76 C THR A 506 -0.307 -8.994 -14.281 1.00 42.14 C ATOM 77 O THR A 506 0.441 -8.205 -14.879 1.00 33.03 O ATOM 78 CB THR A 506 -2.044 -8.245 -12.563 1.00 0.54 C ATOM 79 OG1 THR A 506 -3.048 -9.200 -12.978 1.00 4.40 O ATOM 80 CG2 THR A 506 -2.256 -6.934 -13.321 1.00 12.33 C ATOM 0 H THR A 506 0.716 -7.216 -12.900 1.00 31.20 H new ATOM 0 HA THR A 506 -0.538 -9.773 -12.279 1.00 44.02 H new ATOM 0 HB THR A 506 -2.148 -8.057 -11.494 1.00 0.54 H new ATOM 0 HG1 THR A 506 -3.940 -8.823 -12.827 1.00 4.40 H new ATOM 0 HG21 THR A 506 -3.269 -6.571 -13.145 1.00 12.33 H new ATOM 0 HG22 THR A 506 -1.539 -6.191 -12.971 1.00 12.33 H new ATOM 0 HG23 THR A 506 -2.112 -7.103 -14.388 1.00 12.33 H new ATOM 88 N PHE A 507 -0.834 -10.040 -14.860 1.00 55.30 N ATOM 89 CA PHE A 507 -0.705 -10.246 -16.285 1.00 64.42 C ATOM 90 C PHE A 507 -1.717 -9.391 -17.017 1.00 1.34 C ATOM 91 O PHE A 507 -2.739 -8.990 -16.428 1.00 74.22 O ATOM 92 CB PHE A 507 -0.900 -11.719 -16.667 1.00 71.15 C ATOM 93 CG PHE A 507 0.194 -12.634 -16.211 1.00 35.45 C ATOM 94 CD1 PHE A 507 1.380 -12.705 -16.911 1.00 70.11 C ATOM 95 CD2 PHE A 507 0.035 -13.427 -15.095 1.00 74.42 C ATOM 96 CE1 PHE A 507 2.388 -13.547 -16.508 1.00 11.34 C ATOM 97 CE2 PHE A 507 1.039 -14.275 -14.683 1.00 35.33 C ATOM 98 CZ PHE A 507 2.220 -14.336 -15.392 1.00 64.21 C ATOM 0 H PHE A 507 -1.358 -10.765 -14.370 1.00 55.30 H new ATOM 0 HA PHE A 507 0.306 -9.957 -16.574 1.00 64.42 H new ATOM 0 HB2 PHE A 507 -1.844 -12.067 -16.248 1.00 71.15 H new ATOM 0 HB3 PHE A 507 -0.987 -11.791 -17.751 1.00 71.15 H new ATOM 0 HD1 PHE A 507 1.518 -12.090 -17.788 1.00 70.11 H new ATOM 0 HD2 PHE A 507 -0.888 -13.383 -14.537 1.00 74.42 H new ATOM 0 HE1 PHE A 507 3.312 -13.590 -17.066 1.00 11.34 H new ATOM 0 HE2 PHE A 507 0.902 -14.891 -13.807 1.00 35.33 H new ATOM 0 HZ PHE A 507 3.010 -15.000 -15.073 1.00 64.21 H new ATOM 108 N GLU A 508 -1.419 -9.086 -18.280 1.00 14.41 N ATOM 109 CA GLU A 508 -2.324 -8.330 -19.141 1.00 55.12 C ATOM 110 C GLU A 508 -3.673 -9.022 -19.214 1.00 71.13 C ATOM 111 O GLU A 508 -4.716 -8.421 -18.975 1.00 53.12 O ATOM 112 CB GLU A 508 -1.763 -8.233 -20.561 1.00 14.44 C ATOM 113 CG GLU A 508 -0.425 -7.543 -20.681 1.00 41.00 C ATOM 114 CD GLU A 508 0.008 -7.430 -22.116 1.00 43.34 C ATOM 115 OE1 GLU A 508 -0.449 -6.492 -22.818 1.00 1.32 O ATOM 116 OE2 GLU A 508 0.796 -8.289 -22.589 1.00 24.00 O ATOM 0 H GLU A 508 -0.546 -9.356 -18.733 1.00 14.41 H new ATOM 0 HA GLU A 508 -2.431 -7.332 -18.717 1.00 55.12 H new ATOM 0 HB2 GLU A 508 -1.671 -9.240 -20.967 1.00 14.44 H new ATOM 0 HB3 GLU A 508 -2.484 -7.703 -21.183 1.00 14.44 H new ATOM 0 HG2 GLU A 508 -0.486 -6.549 -20.239 1.00 41.00 H new ATOM 0 HG3 GLU A 508 0.324 -8.098 -20.116 1.00 41.00 H new ATOM 123 N GLU A 509 -3.630 -10.291 -19.515 1.00 65.13 N ATOM 124 CA GLU A 509 -4.808 -11.096 -19.676 1.00 2.12 C ATOM 125 C GLU A 509 -4.644 -12.380 -18.887 1.00 51.05 C ATOM 126 O GLU A 509 -3.524 -12.762 -18.580 1.00 73.31 O ATOM 127 CB GLU A 509 -5.037 -11.410 -21.156 1.00 33.13 C ATOM 128 CG GLU A 509 -5.336 -10.192 -22.001 1.00 74.30 C ATOM 129 CD GLU A 509 -5.658 -10.544 -23.417 1.00 34.42 C ATOM 130 OE1 GLU A 509 -6.839 -10.868 -23.703 1.00 30.12 O ATOM 131 OE2 GLU A 509 -4.755 -10.533 -24.261 1.00 12.40 O ATOM 0 H GLU A 509 -2.759 -10.803 -19.658 1.00 65.13 H new ATOM 0 HA GLU A 509 -5.674 -10.549 -19.304 1.00 2.12 H new ATOM 0 HB2 GLU A 509 -4.152 -11.907 -21.553 1.00 33.13 H new ATOM 0 HB3 GLU A 509 -5.865 -12.114 -21.244 1.00 33.13 H new ATOM 0 HG2 GLU A 509 -6.174 -9.648 -21.565 1.00 74.30 H new ATOM 0 HG3 GLU A 509 -4.477 -9.521 -21.983 1.00 74.30 H new ATOM 138 N PRO A 510 -5.750 -13.044 -18.515 1.00 13.11 N ATOM 139 CA PRO A 510 -5.692 -14.312 -17.785 1.00 51.32 C ATOM 140 C PRO A 510 -5.423 -15.515 -18.712 1.00 42.44 C ATOM 141 O PRO A 510 -4.955 -16.576 -18.272 1.00 32.14 O ATOM 142 CB PRO A 510 -7.090 -14.417 -17.164 1.00 62.34 C ATOM 143 CG PRO A 510 -7.986 -13.667 -18.092 1.00 51.23 C ATOM 144 CD PRO A 510 -7.151 -12.583 -18.720 1.00 74.34 C ATOM 0 HA PRO A 510 -4.879 -14.330 -17.059 1.00 51.32 H new ATOM 0 HB2 PRO A 510 -7.402 -15.457 -17.070 1.00 62.34 H new ATOM 0 HB3 PRO A 510 -7.110 -13.986 -16.163 1.00 62.34 H new ATOM 0 HG2 PRO A 510 -8.396 -14.330 -18.854 1.00 51.23 H new ATOM 0 HG3 PRO A 510 -8.832 -13.240 -17.553 1.00 51.23 H new ATOM 0 HD2 PRO A 510 -7.381 -12.464 -19.779 1.00 74.34 H new ATOM 0 HD3 PRO A 510 -7.327 -11.618 -18.245 1.00 74.34 H new ATOM 152 N VAL A 511 -5.720 -15.345 -19.983 1.00 63.23 N ATOM 153 CA VAL A 511 -5.581 -16.390 -20.983 1.00 24.11 C ATOM 154 C VAL A 511 -5.110 -15.777 -22.284 1.00 70.11 C ATOM 155 O VAL A 511 -5.617 -14.729 -22.691 1.00 21.12 O ATOM 156 CB VAL A 511 -6.945 -17.132 -21.229 1.00 12.51 C ATOM 157 CG1 VAL A 511 -6.859 -18.085 -22.399 1.00 2.42 C ATOM 158 CG2 VAL A 511 -7.373 -17.899 -19.999 1.00 55.43 C ATOM 0 H VAL A 511 -6.071 -14.464 -20.359 1.00 63.23 H new ATOM 0 HA VAL A 511 -4.855 -17.116 -20.618 1.00 24.11 H new ATOM 0 HB VAL A 511 -7.685 -16.364 -21.455 1.00 12.51 H new ATOM 0 HG11 VAL A 511 -7.821 -18.579 -22.538 1.00 2.42 H new ATOM 0 HG12 VAL A 511 -6.602 -17.531 -23.302 1.00 2.42 H new ATOM 0 HG13 VAL A 511 -6.092 -18.834 -22.203 1.00 2.42 H new ATOM 0 HG21 VAL A 511 -8.319 -18.403 -20.196 1.00 55.43 H new ATOM 0 HG22 VAL A 511 -6.613 -18.639 -19.749 1.00 55.43 H new ATOM 0 HG23 VAL A 511 -7.496 -17.209 -19.164 1.00 55.43 H new ATOM 168 N THR A 512 -4.136 -16.390 -22.898 1.00 4.10 N ATOM 169 CA THR A 512 -3.657 -15.950 -24.164 1.00 13.01 C ATOM 170 C THR A 512 -3.512 -17.156 -25.098 1.00 4.32 C ATOM 171 O THR A 512 -3.101 -18.262 -24.676 1.00 60.50 O ATOM 172 CB THR A 512 -2.306 -15.158 -24.044 1.00 44.34 C ATOM 173 OG1 THR A 512 -1.962 -14.539 -25.295 1.00 72.13 O ATOM 174 CG2 THR A 512 -1.154 -16.056 -23.610 1.00 70.41 C ATOM 0 H THR A 512 -3.656 -17.210 -22.527 1.00 4.10 H new ATOM 0 HA THR A 512 -4.384 -15.254 -24.583 1.00 13.01 H new ATOM 0 HB THR A 512 -2.462 -14.394 -23.282 1.00 44.34 H new ATOM 0 HG1 THR A 512 -1.118 -14.050 -25.197 1.00 72.13 H new ATOM 0 HG21 THR A 512 -0.240 -15.467 -23.540 1.00 70.41 H new ATOM 0 HG22 THR A 512 -1.380 -16.493 -22.637 1.00 70.41 H new ATOM 0 HG23 THR A 512 -1.017 -16.852 -24.342 1.00 70.41 H new ATOM 182 N HIS A 513 -3.906 -16.975 -26.319 1.00 22.14 N ATOM 183 CA HIS A 513 -3.745 -17.988 -27.325 1.00 63.52 C ATOM 184 C HIS A 513 -2.693 -17.522 -28.281 1.00 21.41 C ATOM 185 O HIS A 513 -2.891 -16.544 -29.007 1.00 22.23 O ATOM 186 CB HIS A 513 -5.054 -18.277 -28.075 1.00 74.33 C ATOM 187 CG HIS A 513 -6.088 -19.022 -27.291 1.00 43.42 C ATOM 188 ND1 HIS A 513 -6.584 -20.256 -27.661 1.00 54.23 N ATOM 189 CD2 HIS A 513 -6.743 -18.685 -26.156 1.00 31.45 C ATOM 190 CE1 HIS A 513 -7.495 -20.620 -26.764 1.00 24.32 C ATOM 191 NE2 HIS A 513 -7.633 -19.700 -25.823 1.00 50.32 N ATOM 0 H HIS A 513 -4.350 -16.119 -26.652 1.00 22.14 H new ATOM 0 HA HIS A 513 -3.451 -18.921 -26.844 1.00 63.52 H new ATOM 0 HB2 HIS A 513 -5.483 -17.330 -28.403 1.00 74.33 H new ATOM 0 HB3 HIS A 513 -4.821 -18.849 -28.973 1.00 74.33 H new ATOM 0 HD2 HIS A 513 -6.598 -17.772 -25.597 1.00 31.45 H new ATOM 0 HE1 HIS A 513 -8.050 -21.546 -26.799 1.00 24.32 H new ATOM 0 HE2 HIS A 513 -8.262 -19.729 -25.020 1.00 50.32 H new ATOM 199 N VAL A 514 -1.577 -18.171 -28.261 1.00 34.11 N ATOM 200 CA VAL A 514 -0.490 -17.781 -29.111 1.00 14.40 C ATOM 201 C VAL A 514 -0.440 -18.649 -30.325 1.00 62.42 C ATOM 202 O VAL A 514 -1.014 -19.743 -30.347 1.00 34.03 O ATOM 203 CB VAL A 514 0.885 -17.785 -28.396 1.00 40.31 C ATOM 204 CG1 VAL A 514 0.963 -16.668 -27.370 1.00 31.31 C ATOM 205 CG2 VAL A 514 1.153 -19.130 -27.739 1.00 13.13 C ATOM 0 H VAL A 514 -1.388 -18.977 -27.665 1.00 34.11 H new ATOM 0 HA VAL A 514 -0.686 -16.749 -29.402 1.00 14.40 H new ATOM 0 HB VAL A 514 1.654 -17.614 -29.149 1.00 40.31 H new ATOM 0 HG11 VAL A 514 1.937 -16.691 -26.881 1.00 31.31 H new ATOM 0 HG12 VAL A 514 0.829 -15.707 -27.867 1.00 31.31 H new ATOM 0 HG13 VAL A 514 0.179 -16.803 -26.624 1.00 31.31 H new ATOM 0 HG21 VAL A 514 2.124 -19.106 -27.244 1.00 13.13 H new ATOM 0 HG22 VAL A 514 0.376 -19.337 -27.003 1.00 13.13 H new ATOM 0 HG23 VAL A 514 1.151 -19.912 -28.498 1.00 13.13 H new ATOM 215 N SER A 515 0.188 -18.158 -31.332 1.00 41.11 N ATOM 216 CA SER A 515 0.333 -18.877 -32.537 1.00 62.20 C ATOM 217 C SER A 515 1.429 -19.913 -32.372 1.00 74.35 C ATOM 218 O SER A 515 2.475 -19.640 -31.800 1.00 13.23 O ATOM 219 CB SER A 515 0.659 -17.902 -33.644 1.00 44.13 C ATOM 220 OG SER A 515 -0.332 -16.884 -33.695 1.00 72.21 O ATOM 0 H SER A 515 0.620 -17.234 -31.338 1.00 41.11 H new ATOM 0 HA SER A 515 -0.590 -19.399 -32.791 1.00 62.20 H new ATOM 0 HB2 SER A 515 1.640 -17.459 -33.474 1.00 44.13 H new ATOM 0 HB3 SER A 515 0.706 -18.425 -34.599 1.00 44.13 H new ATOM 0 HG SER A 515 -0.116 -16.253 -34.413 1.00 72.21 H new ATOM 226 N GLU A 516 1.182 -21.075 -32.866 1.00 1.15 N ATOM 227 CA GLU A 516 2.086 -22.190 -32.772 1.00 30.22 C ATOM 228 C GLU A 516 3.378 -21.912 -33.561 1.00 41.40 C ATOM 229 O GLU A 516 4.446 -22.443 -33.255 1.00 42.41 O ATOM 230 CB GLU A 516 1.402 -23.466 -33.298 1.00 24.22 C ATOM 231 CG GLU A 516 -0.021 -23.720 -32.746 1.00 70.12 C ATOM 232 CD GLU A 516 -1.145 -23.061 -33.560 1.00 74.20 C ATOM 233 OE1 GLU A 516 -1.199 -21.822 -33.660 1.00 45.34 O ATOM 234 OE2 GLU A 516 -1.976 -23.774 -34.141 1.00 22.13 O ATOM 0 H GLU A 516 0.319 -21.293 -33.365 1.00 1.15 H new ATOM 0 HA GLU A 516 2.351 -22.335 -31.725 1.00 30.22 H new ATOM 0 HB2 GLU A 516 1.349 -23.410 -34.385 1.00 24.22 H new ATOM 0 HB3 GLU A 516 2.029 -24.323 -33.053 1.00 24.22 H new ATOM 0 HG2 GLU A 516 -0.197 -24.795 -32.711 1.00 70.12 H new ATOM 0 HG3 GLU A 516 -0.070 -23.355 -31.720 1.00 70.12 H new ATOM 241 N SER A 517 3.273 -21.046 -34.541 1.00 34.00 N ATOM 242 CA SER A 517 4.378 -20.705 -35.384 1.00 3.05 C ATOM 243 C SER A 517 5.029 -19.365 -34.982 1.00 42.11 C ATOM 244 O SER A 517 5.880 -18.848 -35.711 1.00 62.43 O ATOM 245 CB SER A 517 3.875 -20.654 -36.822 1.00 10.34 C ATOM 246 OG SER A 517 2.693 -19.870 -36.893 1.00 63.32 O ATOM 0 H SER A 517 2.408 -20.558 -34.772 1.00 34.00 H new ATOM 0 HA SER A 517 5.154 -21.462 -35.277 1.00 3.05 H new ATOM 0 HB2 SER A 517 4.642 -20.230 -37.470 1.00 10.34 H new ATOM 0 HB3 SER A 517 3.675 -21.663 -37.182 1.00 10.34 H new ATOM 0 HG SER A 517 2.376 -19.840 -37.820 1.00 63.32 H new ATOM 252 N ILE A 518 4.663 -18.817 -33.809 1.00 20.24 N ATOM 253 CA ILE A 518 5.185 -17.504 -33.410 1.00 44.43 C ATOM 254 C ILE A 518 6.680 -17.563 -33.033 1.00 51.43 C ATOM 255 O ILE A 518 7.452 -16.661 -33.367 1.00 43.05 O ATOM 256 CB ILE A 518 4.356 -16.830 -32.255 1.00 0.53 C ATOM 257 CG1 ILE A 518 4.808 -15.378 -32.043 1.00 41.14 C ATOM 258 CG2 ILE A 518 4.462 -17.616 -30.945 1.00 31.33 C ATOM 259 CD1 ILE A 518 4.076 -14.655 -30.947 1.00 53.41 C ATOM 0 H ILE A 518 4.026 -19.250 -33.140 1.00 20.24 H new ATOM 0 HA ILE A 518 5.077 -16.874 -34.293 1.00 44.43 H new ATOM 0 HB ILE A 518 3.310 -16.835 -32.560 1.00 0.53 H new ATOM 0 HG12 ILE A 518 5.874 -15.371 -31.817 1.00 41.14 H new ATOM 0 HG13 ILE A 518 4.676 -14.829 -32.975 1.00 41.14 H new ATOM 0 HG21 ILE A 518 3.876 -17.118 -30.173 1.00 31.33 H new ATOM 0 HG22 ILE A 518 4.081 -18.626 -31.095 1.00 31.33 H new ATOM 0 HG23 ILE A 518 5.505 -17.665 -30.633 1.00 31.33 H new ATOM 0 HD11 ILE A 518 4.457 -13.637 -30.865 1.00 53.41 H new ATOM 0 HD12 ILE A 518 3.011 -14.626 -31.178 1.00 53.41 H new ATOM 0 HD13 ILE A 518 4.228 -15.177 -30.002 1.00 53.41 H new ATOM 271 N GLY A 519 7.090 -18.631 -32.387 1.00 1.02 N ATOM 272 CA GLY A 519 8.464 -18.740 -31.962 1.00 0.43 C ATOM 273 C GLY A 519 8.649 -18.218 -30.557 1.00 21.12 C ATOM 274 O GLY A 519 8.788 -18.989 -29.620 1.00 4.42 O ATOM 0 H GLY A 519 6.499 -19.427 -32.147 1.00 1.02 H new ATOM 0 HA2 GLY A 519 8.779 -19.782 -32.009 1.00 0.43 H new ATOM 0 HA3 GLY A 519 9.103 -18.182 -32.646 1.00 0.43 H new ATOM 278 N ILE A 520 8.598 -16.913 -30.404 1.00 43.12 N ATOM 279 CA ILE A 520 8.750 -16.282 -29.107 1.00 31.14 C ATOM 280 C ILE A 520 7.526 -15.446 -28.867 1.00 33.13 C ATOM 281 O ILE A 520 7.163 -14.636 -29.711 1.00 74.54 O ATOM 282 CB ILE A 520 10.009 -15.351 -29.030 1.00 61.34 C ATOM 283 CG1 ILE A 520 11.314 -16.115 -29.291 1.00 53.25 C ATOM 284 CG2 ILE A 520 10.084 -14.638 -27.681 1.00 63.22 C ATOM 285 CD1 ILE A 520 11.666 -17.133 -28.235 1.00 23.15 C ATOM 0 H ILE A 520 8.450 -16.259 -31.172 1.00 43.12 H new ATOM 0 HA ILE A 520 8.878 -17.064 -28.358 1.00 31.14 H new ATOM 0 HB ILE A 520 9.894 -14.608 -29.819 1.00 61.34 H new ATOM 0 HG12 ILE A 520 11.238 -16.621 -30.254 1.00 53.25 H new ATOM 0 HG13 ILE A 520 12.130 -15.397 -29.372 1.00 53.25 H new ATOM 0 HG21 ILE A 520 10.967 -13.999 -27.656 1.00 63.22 H new ATOM 0 HG22 ILE A 520 9.191 -14.029 -27.541 1.00 63.22 H new ATOM 0 HG23 ILE A 520 10.148 -15.377 -26.882 1.00 63.22 H new ATOM 0 HD11 ILE A 520 12.602 -17.624 -28.501 1.00 23.15 H new ATOM 0 HD12 ILE A 520 11.779 -16.635 -27.272 1.00 23.15 H new ATOM 0 HD13 ILE A 520 10.872 -17.877 -28.168 1.00 23.15 H new ATOM 297 N MET A 521 6.871 -15.673 -27.773 1.00 52.33 N ATOM 298 CA MET A 521 5.715 -14.892 -27.425 1.00 1.23 C ATOM 299 C MET A 521 6.107 -13.852 -26.393 1.00 72.42 C ATOM 300 O MET A 521 6.976 -14.103 -25.553 1.00 3.41 O ATOM 301 CB MET A 521 4.576 -15.808 -26.939 1.00 30.03 C ATOM 302 CG MET A 521 4.936 -16.658 -25.739 1.00 10.04 C ATOM 303 SD MET A 521 4.661 -15.857 -24.155 1.00 73.44 S ATOM 304 CE MET A 521 2.886 -15.925 -24.059 1.00 24.40 C ATOM 0 H MET A 521 7.115 -16.397 -27.097 1.00 52.33 H new ATOM 0 HA MET A 521 5.339 -14.366 -28.302 1.00 1.23 H new ATOM 0 HB2 MET A 521 3.711 -15.193 -26.689 1.00 30.03 H new ATOM 0 HB3 MET A 521 4.276 -16.462 -27.757 1.00 30.03 H new ATOM 0 HG2 MET A 521 4.354 -17.579 -25.773 1.00 10.04 H new ATOM 0 HG3 MET A 521 5.986 -16.942 -25.812 1.00 10.04 H new ATOM 0 HE1 MET A 521 2.571 -15.770 -23.027 1.00 24.40 H new ATOM 0 HE2 MET A 521 2.457 -15.146 -24.690 1.00 24.40 H new ATOM 0 HE3 MET A 521 2.540 -16.900 -24.401 1.00 24.40 H new ATOM 314 N GLU A 522 5.514 -12.687 -26.505 1.00 60.21 N ATOM 315 CA GLU A 522 5.772 -11.573 -25.617 1.00 71.14 C ATOM 316 C GLU A 522 4.569 -11.302 -24.724 1.00 52.20 C ATOM 317 O GLU A 522 3.447 -11.112 -25.223 1.00 34.32 O ATOM 318 CB GLU A 522 6.067 -10.278 -26.409 1.00 44.44 C ATOM 319 CG GLU A 522 7.390 -10.214 -27.170 1.00 72.55 C ATOM 320 CD GLU A 522 7.502 -11.169 -28.336 1.00 61.32 C ATOM 321 OE1 GLU A 522 6.599 -11.177 -29.215 1.00 53.24 O ATOM 322 OE2 GLU A 522 8.527 -11.856 -28.437 1.00 20.13 O ATOM 0 H GLU A 522 4.825 -12.481 -27.229 1.00 60.21 H new ATOM 0 HA GLU A 522 6.639 -11.847 -25.016 1.00 71.14 H new ATOM 0 HB2 GLU A 522 5.258 -10.127 -27.124 1.00 44.44 H new ATOM 0 HB3 GLU A 522 6.037 -9.441 -25.712 1.00 44.44 H new ATOM 0 HG2 GLU A 522 7.532 -9.198 -27.537 1.00 72.55 H new ATOM 0 HG3 GLU A 522 8.203 -10.418 -26.473 1.00 72.55 H new ATOM 329 N VAL A 523 4.780 -11.301 -23.429 1.00 21.33 N ATOM 330 CA VAL A 523 3.743 -10.919 -22.470 1.00 4.44 C ATOM 331 C VAL A 523 4.278 -9.897 -21.497 1.00 72.24 C ATOM 332 O VAL A 523 5.370 -10.072 -20.948 1.00 15.01 O ATOM 333 CB VAL A 523 3.153 -12.140 -21.703 1.00 74.45 C ATOM 334 CG1 VAL A 523 2.317 -11.698 -20.497 1.00 72.13 C ATOM 335 CG2 VAL A 523 2.272 -12.926 -22.636 1.00 64.04 C ATOM 0 H VAL A 523 5.668 -11.562 -23.001 1.00 21.33 H new ATOM 0 HA VAL A 523 2.927 -10.481 -23.044 1.00 4.44 H new ATOM 0 HB VAL A 523 3.984 -12.747 -21.344 1.00 74.45 H new ATOM 0 HG11 VAL A 523 1.922 -12.576 -19.987 1.00 72.13 H new ATOM 0 HG12 VAL A 523 2.943 -11.130 -19.809 1.00 72.13 H new ATOM 0 HG13 VAL A 523 1.491 -11.073 -20.836 1.00 72.13 H new ATOM 0 HG21 VAL A 523 1.855 -13.783 -22.107 1.00 64.04 H new ATOM 0 HG22 VAL A 523 1.462 -12.290 -22.993 1.00 64.04 H new ATOM 0 HG23 VAL A 523 2.860 -13.275 -23.485 1.00 64.04 H new ATOM 345 N LYS A 524 3.532 -8.831 -21.305 1.00 72.43 N ATOM 346 CA LYS A 524 3.913 -7.808 -20.375 1.00 33.25 C ATOM 347 C LYS A 524 3.326 -8.095 -19.017 1.00 43.42 C ATOM 348 O LYS A 524 2.162 -8.507 -18.897 1.00 34.13 O ATOM 349 CB LYS A 524 3.422 -6.433 -20.824 1.00 11.02 C ATOM 350 CG LYS A 524 4.064 -5.885 -22.077 1.00 61.11 C ATOM 351 CD LYS A 524 3.434 -4.553 -22.442 1.00 11.02 C ATOM 352 CE LYS A 524 4.081 -3.939 -23.664 1.00 72.43 C ATOM 353 NZ LYS A 524 3.373 -2.719 -24.106 1.00 73.44 N ATOM 0 H LYS A 524 2.651 -8.656 -21.789 1.00 72.43 H new ATOM 0 HA LYS A 524 5.002 -7.804 -20.329 1.00 33.25 H new ATOM 0 HB2 LYS A 524 2.345 -6.486 -20.983 1.00 11.02 H new ATOM 0 HB3 LYS A 524 3.590 -5.725 -20.012 1.00 11.02 H new ATOM 0 HG2 LYS A 524 5.136 -5.760 -21.922 1.00 61.11 H new ATOM 0 HG3 LYS A 524 3.941 -6.592 -22.898 1.00 61.11 H new ATOM 0 HD2 LYS A 524 2.369 -4.694 -22.627 1.00 11.02 H new ATOM 0 HD3 LYS A 524 3.523 -3.866 -21.600 1.00 11.02 H new ATOM 0 HE2 LYS A 524 5.120 -3.696 -23.442 1.00 72.43 H new ATOM 0 HE3 LYS A 524 4.091 -4.667 -24.475 1.00 72.43 H new ATOM 0 HZ1 LYS A 524 3.846 -2.328 -24.945 1.00 73.44 H new ATOM 0 HZ2 LYS A 524 2.388 -2.956 -24.342 1.00 73.44 H new ATOM 0 HZ3 LYS A 524 3.386 -2.014 -23.341 1.00 73.44 H new ATOM 367 N VAL A 525 4.118 -7.919 -18.012 1.00 34.14 N ATOM 368 CA VAL A 525 3.623 -7.982 -16.672 1.00 74.41 C ATOM 369 C VAL A 525 3.336 -6.560 -16.272 1.00 74.41 C ATOM 370 O VAL A 525 4.228 -5.707 -16.288 1.00 54.31 O ATOM 371 CB VAL A 525 4.614 -8.659 -15.689 1.00 51.44 C ATOM 372 CG1 VAL A 525 4.076 -8.629 -14.263 1.00 0.41 C ATOM 373 CG2 VAL A 525 4.867 -10.091 -16.114 1.00 60.44 C ATOM 0 H VAL A 525 5.117 -7.729 -18.091 1.00 34.14 H new ATOM 0 HA VAL A 525 2.729 -8.604 -16.630 1.00 74.41 H new ATOM 0 HB VAL A 525 5.551 -8.103 -15.713 1.00 51.44 H new ATOM 0 HG11 VAL A 525 4.790 -9.110 -13.595 1.00 0.41 H new ATOM 0 HG12 VAL A 525 3.927 -7.595 -13.952 1.00 0.41 H new ATOM 0 HG13 VAL A 525 3.125 -9.161 -14.222 1.00 0.41 H new ATOM 0 HG21 VAL A 525 5.564 -10.559 -15.419 1.00 60.44 H new ATOM 0 HG22 VAL A 525 3.927 -10.643 -16.112 1.00 60.44 H new ATOM 0 HG23 VAL A 525 5.293 -10.103 -17.117 1.00 60.44 H new ATOM 383 N LEU A 526 2.114 -6.289 -15.988 1.00 64.15 N ATOM 384 CA LEU A 526 1.693 -4.958 -15.732 1.00 14.10 C ATOM 385 C LEU A 526 1.678 -4.680 -14.264 1.00 33.31 C ATOM 386 O LEU A 526 1.244 -5.511 -13.464 1.00 24.05 O ATOM 387 CB LEU A 526 0.308 -4.716 -16.324 1.00 34.51 C ATOM 388 CG LEU A 526 0.170 -4.952 -17.829 1.00 24.14 C ATOM 389 CD1 LEU A 526 -1.253 -4.708 -18.268 1.00 75.21 C ATOM 390 CD2 LEU A 526 1.130 -4.068 -18.613 1.00 62.44 C ATOM 0 H LEU A 526 1.373 -6.987 -15.926 1.00 64.15 H new ATOM 0 HA LEU A 526 2.403 -4.280 -16.205 1.00 14.10 H new ATOM 0 HB2 LEU A 526 -0.403 -5.362 -15.809 1.00 34.51 H new ATOM 0 HB3 LEU A 526 0.018 -3.687 -16.110 1.00 34.51 H new ATOM 0 HG LEU A 526 0.427 -5.991 -18.035 1.00 24.14 H new ATOM 0 HD11 LEU A 526 -1.337 -4.879 -19.341 1.00 75.21 H new ATOM 0 HD12 LEU A 526 -1.919 -5.389 -17.738 1.00 75.21 H new ATOM 0 HD13 LEU A 526 -1.532 -3.679 -18.042 1.00 75.21 H new ATOM 0 HD21 LEU A 526 1.010 -4.257 -19.680 1.00 62.44 H new ATOM 0 HD22 LEU A 526 0.913 -3.020 -18.403 1.00 62.44 H new ATOM 0 HD23 LEU A 526 2.155 -4.293 -18.318 1.00 62.44 H new ATOM 402 N ARG A 527 2.185 -3.543 -13.908 1.00 2.51 N ATOM 403 CA ARG A 527 2.134 -3.103 -12.556 1.00 53.15 C ATOM 404 C ARG A 527 0.994 -2.114 -12.363 1.00 30.02 C ATOM 405 O ARG A 527 1.073 -0.964 -12.778 1.00 40.42 O ATOM 406 CB ARG A 527 3.517 -2.611 -12.037 1.00 22.14 C ATOM 407 CG ARG A 527 4.562 -2.112 -13.078 1.00 74.20 C ATOM 408 CD ARG A 527 4.287 -0.736 -13.699 1.00 2.20 C ATOM 409 NE ARG A 527 3.074 -0.690 -14.512 1.00 4.23 N ATOM 410 CZ ARG A 527 3.032 -0.566 -15.842 1.00 5.43 C ATOM 411 NH1 ARG A 527 4.157 -0.521 -16.563 1.00 1.43 N ATOM 412 NH2 ARG A 527 1.863 -0.494 -16.453 1.00 12.12 N ATOM 0 H ARG A 527 2.645 -2.896 -14.548 1.00 2.51 H new ATOM 0 HA ARG A 527 1.907 -3.957 -11.918 1.00 53.15 H new ATOM 0 HB2 ARG A 527 3.338 -1.800 -11.331 1.00 22.14 H new ATOM 0 HB3 ARG A 527 3.971 -3.428 -11.476 1.00 22.14 H new ATOM 0 HG2 ARG A 527 5.540 -2.083 -12.597 1.00 74.20 H new ATOM 0 HG3 ARG A 527 4.624 -2.846 -13.882 1.00 74.20 H new ATOM 0 HD2 ARG A 527 4.208 0.003 -12.902 1.00 2.20 H new ATOM 0 HD3 ARG A 527 5.138 -0.449 -14.316 1.00 2.20 H new ATOM 0 HE ARG A 527 2.182 -0.758 -14.022 1.00 4.23 H new ATOM 0 HH11 ARG A 527 5.063 -0.582 -16.099 1.00 1.43 H new ATOM 0 HH12 ARG A 527 4.109 -0.426 -17.577 1.00 1.43 H new ATOM 0 HH21 ARG A 527 1.000 -0.533 -15.910 1.00 12.12 H new ATOM 0 HH22 ARG A 527 1.823 -0.399 -17.468 1.00 12.12 H new ATOM 426 N THR A 528 -0.061 -2.598 -11.757 1.00 45.44 N ATOM 427 CA THR A 528 -1.299 -1.877 -11.573 1.00 51.04 C ATOM 428 C THR A 528 -1.101 -0.599 -10.740 1.00 63.21 C ATOM 429 O THR A 528 -1.304 0.511 -11.238 1.00 10.21 O ATOM 430 CB THR A 528 -2.301 -2.809 -10.884 1.00 24.41 C ATOM 431 OG1 THR A 528 -2.264 -4.082 -11.546 1.00 54.22 O ATOM 432 CG2 THR A 528 -3.708 -2.250 -10.958 1.00 55.13 C ATOM 0 H THR A 528 -0.084 -3.539 -11.363 1.00 45.44 H new ATOM 0 HA THR A 528 -1.673 -1.565 -12.548 1.00 51.04 H new ATOM 0 HB THR A 528 -2.029 -2.908 -9.833 1.00 24.41 H new ATOM 0 HG1 THR A 528 -2.899 -4.693 -11.116 1.00 54.22 H new ATOM 0 HG21 THR A 528 -4.397 -2.933 -10.461 1.00 55.13 H new ATOM 0 HG22 THR A 528 -3.740 -1.279 -10.464 1.00 55.13 H new ATOM 0 HG23 THR A 528 -4.000 -2.136 -12.002 1.00 55.13 H new ATOM 440 N SER A 529 -0.678 -0.751 -9.499 1.00 44.22 N ATOM 441 CA SER A 529 -0.440 0.385 -8.640 1.00 42.31 C ATOM 442 C SER A 529 0.835 1.103 -9.075 1.00 31.42 C ATOM 443 O SER A 529 0.968 2.323 -8.955 1.00 73.32 O ATOM 444 CB SER A 529 -0.326 -0.099 -7.210 1.00 23.42 C ATOM 445 OG SER A 529 0.611 -1.151 -7.142 1.00 4.33 O ATOM 0 H SER A 529 -0.493 -1.655 -9.065 1.00 44.22 H new ATOM 0 HA SER A 529 -1.267 1.091 -8.712 1.00 42.31 H new ATOM 0 HB2 SER A 529 -0.016 0.720 -6.561 1.00 23.42 H new ATOM 0 HB3 SER A 529 -1.297 -0.440 -6.852 1.00 23.42 H new ATOM 0 HG SER A 529 1.043 -1.148 -6.262 1.00 4.33 H new ATOM 451 N GLY A 530 1.754 0.327 -9.591 1.00 64.33 N ATOM 452 CA GLY A 530 3.002 0.829 -10.048 1.00 61.13 C ATOM 453 C GLY A 530 4.110 -0.063 -9.580 1.00 11.25 C ATOM 454 O GLY A 530 3.878 -1.239 -9.306 1.00 41.41 O ATOM 0 H GLY A 530 1.645 -0.681 -9.702 1.00 64.33 H new ATOM 0 HA2 GLY A 530 3.004 0.887 -11.136 1.00 61.13 H new ATOM 0 HA3 GLY A 530 3.156 1.842 -9.675 1.00 61.13 H new ATOM 458 N ALA A 531 5.280 0.482 -9.480 1.00 2.12 N ATOM 459 CA ALA A 531 6.456 -0.204 -9.011 1.00 42.51 C ATOM 460 C ALA A 531 7.316 0.850 -8.376 1.00 2.14 C ATOM 461 O ALA A 531 7.174 2.034 -8.723 1.00 4.35 O ATOM 462 CB ALA A 531 7.190 -0.884 -10.168 1.00 21.10 C ATOM 0 H ALA A 531 5.456 1.455 -9.731 1.00 2.12 H new ATOM 0 HA ALA A 531 6.202 -0.993 -8.303 1.00 42.51 H new ATOM 0 HB1 ALA A 531 8.074 -1.395 -9.788 1.00 21.10 H new ATOM 0 HB2 ALA A 531 6.528 -1.608 -10.643 1.00 21.10 H new ATOM 0 HB3 ALA A 531 7.491 -0.134 -10.899 1.00 21.10 H new ATOM 468 N ARG A 532 8.166 0.480 -7.463 1.00 71.24 N ATOM 469 CA ARG A 532 8.944 1.459 -6.758 1.00 53.51 C ATOM 470 C ARG A 532 10.182 0.788 -6.194 1.00 61.03 C ATOM 471 O ARG A 532 10.075 -0.240 -5.530 1.00 42.23 O ATOM 472 CB ARG A 532 8.094 2.041 -5.620 1.00 61.44 C ATOM 473 CG ARG A 532 8.606 3.339 -5.031 1.00 20.05 C ATOM 474 CD ARG A 532 8.577 4.462 -6.063 1.00 20.33 C ATOM 475 NE ARG A 532 8.880 5.759 -5.466 1.00 65.44 N ATOM 476 CZ ARG A 532 9.205 6.874 -6.147 1.00 74.31 C ATOM 477 NH1 ARG A 532 9.360 6.846 -7.474 1.00 71.45 N ATOM 478 NH2 ARG A 532 9.382 8.013 -5.490 1.00 52.20 N ATOM 0 H ARG A 532 8.338 -0.487 -7.189 1.00 71.24 H new ATOM 0 HA ARG A 532 9.246 2.263 -7.429 1.00 53.51 H new ATOM 0 HB2 ARG A 532 7.082 2.203 -5.991 1.00 61.44 H new ATOM 0 HB3 ARG A 532 8.027 1.301 -4.823 1.00 61.44 H new ATOM 0 HG2 ARG A 532 7.997 3.616 -4.171 1.00 20.05 H new ATOM 0 HG3 ARG A 532 9.625 3.200 -4.669 1.00 20.05 H new ATOM 0 HD2 ARG A 532 9.298 4.248 -6.852 1.00 20.33 H new ATOM 0 HD3 ARG A 532 7.593 4.499 -6.531 1.00 20.33 H new ATOM 0 HE ARG A 532 8.842 5.826 -4.449 1.00 65.44 H new ATOM 0 HH11 ARG A 532 9.232 5.972 -7.984 1.00 71.45 H new ATOM 0 HH12 ARG A 532 9.606 7.699 -7.977 1.00 71.45 H new ATOM 0 HH21 ARG A 532 9.272 8.039 -4.476 1.00 52.20 H new ATOM 0 HH22 ARG A 532 9.628 8.862 -5.999 1.00 52.20 H new ATOM 492 N GLY A 533 11.333 1.338 -6.492 1.00 73.22 N ATOM 493 CA GLY A 533 12.566 0.799 -5.978 1.00 1.33 C ATOM 494 C GLY A 533 13.183 -0.163 -6.949 1.00 72.43 C ATOM 495 O GLY A 533 13.443 0.200 -8.093 1.00 54.41 O ATOM 0 H GLY A 533 11.441 2.159 -7.088 1.00 73.22 H new ATOM 0 HA2 GLY A 533 13.264 1.611 -5.773 1.00 1.33 H new ATOM 0 HA3 GLY A 533 12.378 0.294 -5.031 1.00 1.33 H new ATOM 499 N ASN A 534 13.457 -1.352 -6.504 1.00 72.35 N ATOM 500 CA ASN A 534 13.933 -2.398 -7.375 1.00 71.44 C ATOM 501 C ASN A 534 13.192 -3.622 -6.998 1.00 44.02 C ATOM 502 O ASN A 534 13.464 -4.208 -5.980 1.00 54.13 O ATOM 503 CB ASN A 534 15.441 -2.651 -7.221 1.00 10.45 C ATOM 504 CG ASN A 534 15.963 -3.618 -8.275 1.00 21.21 C ATOM 505 OD1 ASN A 534 16.024 -4.819 -8.067 1.00 72.23 O ATOM 506 ND2 ASN A 534 16.334 -3.088 -9.410 1.00 63.24 N ATOM 0 H ASN A 534 13.359 -1.630 -5.528 1.00 72.35 H new ATOM 0 HA ASN A 534 13.770 -2.109 -8.413 1.00 71.44 H new ATOM 0 HB2 ASN A 534 15.978 -1.705 -7.298 1.00 10.45 H new ATOM 0 HB3 ASN A 534 15.643 -3.052 -6.228 1.00 10.45 H new ATOM 0 HD21 ASN A 534 16.689 -3.683 -10.159 1.00 63.24 H new ATOM 0 HD22 ASN A 534 16.269 -2.079 -9.547 1.00 63.24 H new ATOM 513 N VAL A 535 12.226 -3.983 -7.751 1.00 61.31 N ATOM 514 CA VAL A 535 11.427 -5.102 -7.371 1.00 35.32 C ATOM 515 C VAL A 535 11.605 -6.236 -8.337 1.00 63.13 C ATOM 516 O VAL A 535 11.357 -6.108 -9.535 1.00 72.04 O ATOM 517 CB VAL A 535 9.933 -4.734 -7.226 1.00 64.33 C ATOM 518 CG1 VAL A 535 9.136 -5.912 -6.691 1.00 10.22 C ATOM 519 CG2 VAL A 535 9.764 -3.513 -6.328 1.00 33.42 C ATOM 0 H VAL A 535 11.963 -3.532 -8.627 1.00 61.31 H new ATOM 0 HA VAL A 535 11.773 -5.423 -6.389 1.00 35.32 H new ATOM 0 HB VAL A 535 9.546 -4.486 -8.214 1.00 64.33 H new ATOM 0 HG11 VAL A 535 8.087 -5.629 -6.597 1.00 10.22 H new ATOM 0 HG12 VAL A 535 9.225 -6.754 -7.378 1.00 10.22 H new ATOM 0 HG13 VAL A 535 9.523 -6.199 -5.713 1.00 10.22 H new ATOM 0 HG21 VAL A 535 8.705 -3.271 -6.239 1.00 33.42 H new ATOM 0 HG22 VAL A 535 10.171 -3.729 -5.340 1.00 33.42 H new ATOM 0 HG23 VAL A 535 10.295 -2.666 -6.762 1.00 33.42 H new ATOM 529 N ILE A 536 12.048 -7.321 -7.817 1.00 43.52 N ATOM 530 CA ILE A 536 12.273 -8.500 -8.579 1.00 34.14 C ATOM 531 C ILE A 536 11.022 -9.350 -8.535 1.00 32.43 C ATOM 532 O ILE A 536 10.600 -9.804 -7.460 1.00 12.42 O ATOM 533 CB ILE A 536 13.475 -9.296 -8.033 1.00 4.51 C ATOM 534 CG1 ILE A 536 14.755 -8.456 -8.079 1.00 72.13 C ATOM 535 CG2 ILE A 536 13.662 -10.574 -8.805 1.00 4.34 C ATOM 536 CD1 ILE A 536 15.222 -8.060 -9.457 1.00 45.22 C ATOM 0 H ILE A 536 12.271 -7.420 -6.826 1.00 43.52 H new ATOM 0 HA ILE A 536 12.503 -8.222 -9.607 1.00 34.14 H new ATOM 0 HB ILE A 536 13.266 -9.546 -6.993 1.00 4.51 H new ATOM 0 HG12 ILE A 536 14.596 -7.550 -7.494 1.00 72.13 H new ATOM 0 HG13 ILE A 536 15.553 -9.015 -7.590 1.00 72.13 H new ATOM 0 HG21 ILE A 536 14.515 -11.120 -8.403 1.00 4.34 H new ATOM 0 HG22 ILE A 536 12.765 -11.187 -8.717 1.00 4.34 H new ATOM 0 HG23 ILE A 536 13.841 -10.342 -9.855 1.00 4.34 H new ATOM 0 HD11 ILE A 536 16.134 -7.469 -9.376 1.00 45.22 H new ATOM 0 HD12 ILE A 536 15.421 -8.956 -10.045 1.00 45.22 H new ATOM 0 HD13 ILE A 536 14.449 -7.469 -9.947 1.00 45.22 H new ATOM 548 N VAL A 537 10.437 -9.531 -9.683 1.00 74.13 N ATOM 549 CA VAL A 537 9.213 -10.273 -9.851 1.00 32.30 C ATOM 550 C VAL A 537 9.514 -11.583 -10.573 1.00 1.31 C ATOM 551 O VAL A 537 9.743 -11.590 -11.785 1.00 34.32 O ATOM 552 CB VAL A 537 8.194 -9.466 -10.704 1.00 10.12 C ATOM 553 CG1 VAL A 537 6.841 -10.166 -10.758 1.00 22.43 C ATOM 554 CG2 VAL A 537 8.051 -8.050 -10.177 1.00 52.14 C ATOM 0 H VAL A 537 10.806 -9.157 -10.557 1.00 74.13 H new ATOM 0 HA VAL A 537 8.787 -10.464 -8.866 1.00 32.30 H new ATOM 0 HB VAL A 537 8.580 -9.412 -11.722 1.00 10.12 H new ATOM 0 HG11 VAL A 537 6.150 -9.577 -11.362 1.00 22.43 H new ATOM 0 HG12 VAL A 537 6.960 -11.154 -11.203 1.00 22.43 H new ATOM 0 HG13 VAL A 537 6.444 -10.268 -9.748 1.00 22.43 H new ATOM 0 HG21 VAL A 537 7.333 -7.505 -10.790 1.00 52.14 H new ATOM 0 HG22 VAL A 537 7.700 -8.079 -9.146 1.00 52.14 H new ATOM 0 HG23 VAL A 537 9.017 -7.548 -10.217 1.00 52.14 H new ATOM 564 N PRO A 538 9.603 -12.684 -9.850 1.00 31.50 N ATOM 565 CA PRO A 538 9.832 -13.979 -10.455 1.00 53.21 C ATOM 566 C PRO A 538 8.565 -14.557 -11.104 1.00 43.14 C ATOM 567 O PRO A 538 7.440 -14.223 -10.719 1.00 61.40 O ATOM 568 CB PRO A 538 10.320 -14.864 -9.301 1.00 35.54 C ATOM 569 CG PRO A 538 10.303 -14.007 -8.065 1.00 23.41 C ATOM 570 CD PRO A 538 9.520 -12.765 -8.388 1.00 1.34 C ATOM 0 HA PRO A 538 10.555 -13.915 -11.268 1.00 53.21 H new ATOM 0 HB2 PRO A 538 9.673 -15.733 -9.179 1.00 35.54 H new ATOM 0 HB3 PRO A 538 11.324 -15.239 -9.498 1.00 35.54 H new ATOM 0 HG2 PRO A 538 9.846 -14.543 -7.233 1.00 23.41 H new ATOM 0 HG3 PRO A 538 11.318 -13.752 -7.761 1.00 23.41 H new ATOM 0 HD2 PRO A 538 8.487 -12.841 -8.047 1.00 1.34 H new ATOM 0 HD3 PRO A 538 9.949 -11.884 -7.911 1.00 1.34 H new ATOM 578 N TYR A 539 8.754 -15.396 -12.092 1.00 51.15 N ATOM 579 CA TYR A 539 7.658 -16.051 -12.781 1.00 33.52 C ATOM 580 C TYR A 539 8.047 -17.493 -13.054 1.00 2.13 C ATOM 581 O TYR A 539 9.252 -17.811 -13.087 1.00 12.34 O ATOM 582 CB TYR A 539 7.296 -15.324 -14.105 1.00 12.20 C ATOM 583 CG TYR A 539 8.381 -15.332 -15.176 1.00 62.11 C ATOM 584 CD1 TYR A 539 8.503 -16.404 -16.039 1.00 31.42 C ATOM 585 CD2 TYR A 539 9.265 -14.274 -15.331 1.00 55.32 C ATOM 586 CE1 TYR A 539 9.461 -16.437 -17.011 1.00 5.35 C ATOM 587 CE2 TYR A 539 10.243 -14.304 -16.317 1.00 53.30 C ATOM 588 CZ TYR A 539 10.328 -15.400 -17.155 1.00 41.34 C ATOM 589 OH TYR A 539 11.281 -15.459 -18.151 1.00 20.41 O ATOM 0 H TYR A 539 9.676 -15.649 -12.447 1.00 51.15 H new ATOM 0 HA TYR A 539 6.772 -16.017 -12.147 1.00 33.52 H new ATOM 0 HB2 TYR A 539 6.399 -15.784 -14.518 1.00 12.20 H new ATOM 0 HB3 TYR A 539 7.046 -14.289 -13.874 1.00 12.20 H new ATOM 0 HD1 TYR A 539 7.823 -17.237 -15.942 1.00 31.42 H new ATOM 0 HD2 TYR A 539 9.192 -13.417 -14.678 1.00 55.32 H new ATOM 0 HE1 TYR A 539 9.530 -17.291 -17.669 1.00 5.35 H new ATOM 0 HE2 TYR A 539 10.931 -13.479 -16.428 1.00 53.30 H new ATOM 0 HH TYR A 539 11.826 -14.645 -18.131 1.00 20.41 H new ATOM 599 N LYS A 540 7.068 -18.350 -13.280 1.00 13.54 N ATOM 600 CA LYS A 540 7.339 -19.759 -13.503 1.00 44.22 C ATOM 601 C LYS A 540 6.262 -20.391 -14.374 1.00 40.50 C ATOM 602 O LYS A 540 5.075 -20.001 -14.316 1.00 44.51 O ATOM 603 CB LYS A 540 7.451 -20.507 -12.167 1.00 71.42 C ATOM 604 CG LYS A 540 6.154 -20.501 -11.372 1.00 12.41 C ATOM 605 CD LYS A 540 6.303 -21.139 -10.011 1.00 52.12 C ATOM 606 CE LYS A 540 4.971 -21.172 -9.276 1.00 42.01 C ATOM 607 NZ LYS A 540 5.112 -21.582 -7.869 1.00 74.42 N ATOM 0 H LYS A 540 6.081 -18.096 -13.314 1.00 13.54 H new ATOM 0 HA LYS A 540 8.292 -19.838 -14.027 1.00 44.22 H new ATOM 0 HB2 LYS A 540 7.749 -21.538 -12.358 1.00 71.42 H new ATOM 0 HB3 LYS A 540 8.240 -20.053 -11.568 1.00 71.42 H new ATOM 0 HG2 LYS A 540 5.811 -19.473 -11.252 1.00 12.41 H new ATOM 0 HG3 LYS A 540 5.385 -21.030 -11.935 1.00 12.41 H new ATOM 0 HD2 LYS A 540 6.687 -22.153 -10.121 1.00 52.12 H new ATOM 0 HD3 LYS A 540 7.033 -20.583 -9.423 1.00 52.12 H new ATOM 0 HE2 LYS A 540 4.512 -20.184 -9.319 1.00 42.01 H new ATOM 0 HE3 LYS A 540 4.296 -21.860 -9.785 1.00 42.01 H new ATOM 0 HZ1 LYS A 540 4.241 -21.349 -7.350 1.00 74.42 H new ATOM 0 HZ2 LYS A 540 5.279 -22.607 -7.821 1.00 74.42 H new ATOM 0 HZ3 LYS A 540 5.915 -21.080 -7.440 1.00 74.42 H new ATOM 621 N THR A 541 6.679 -21.336 -15.184 1.00 12.10 N ATOM 622 CA THR A 541 5.815 -22.041 -16.076 1.00 12.02 C ATOM 623 C THR A 541 5.184 -23.273 -15.409 1.00 52.04 C ATOM 624 O THR A 541 5.876 -24.119 -14.822 1.00 54.42 O ATOM 625 CB THR A 541 6.617 -22.452 -17.316 1.00 14.23 C ATOM 626 OG1 THR A 541 7.903 -22.961 -16.896 1.00 73.15 O ATOM 627 CG2 THR A 541 6.820 -21.261 -18.240 1.00 53.53 C ATOM 0 H THR A 541 7.652 -21.636 -15.235 1.00 12.10 H new ATOM 0 HA THR A 541 4.995 -21.382 -16.362 1.00 12.02 H new ATOM 0 HB THR A 541 6.067 -23.221 -17.858 1.00 14.23 H new ATOM 0 HG1 THR A 541 7.980 -23.905 -17.149 1.00 73.15 H new ATOM 0 HG21 THR A 541 7.391 -21.572 -19.115 1.00 53.53 H new ATOM 0 HG22 THR A 541 5.850 -20.877 -18.558 1.00 53.53 H new ATOM 0 HG23 THR A 541 7.364 -20.479 -17.711 1.00 53.53 H new ATOM 635 N ILE A 542 3.883 -23.352 -15.485 1.00 32.21 N ATOM 636 CA ILE A 542 3.131 -24.452 -14.940 1.00 31.14 C ATOM 637 C ILE A 542 2.776 -25.383 -16.089 1.00 3.15 C ATOM 638 O ILE A 542 2.055 -24.985 -17.016 1.00 21.13 O ATOM 639 CB ILE A 542 1.813 -23.964 -14.280 1.00 70.32 C ATOM 640 CG1 ILE A 542 2.077 -22.853 -13.239 1.00 44.33 C ATOM 641 CG2 ILE A 542 1.055 -25.135 -13.653 1.00 23.51 C ATOM 642 CD1 ILE A 542 2.973 -23.256 -12.083 1.00 52.23 C ATOM 0 H ILE A 542 3.305 -22.642 -15.935 1.00 32.21 H new ATOM 0 HA ILE A 542 3.731 -24.952 -14.180 1.00 31.14 H new ATOM 0 HB ILE A 542 1.189 -23.534 -15.064 1.00 70.32 H new ATOM 0 HG12 ILE A 542 2.527 -22.000 -13.747 1.00 44.33 H new ATOM 0 HG13 ILE A 542 1.121 -22.518 -12.838 1.00 44.33 H new ATOM 0 HG21 ILE A 542 0.135 -24.770 -13.196 1.00 23.51 H new ATOM 0 HG22 ILE A 542 0.812 -25.866 -14.424 1.00 23.51 H new ATOM 0 HG23 ILE A 542 1.677 -25.605 -12.891 1.00 23.51 H new ATOM 0 HD11 ILE A 542 3.098 -22.410 -11.408 1.00 52.23 H new ATOM 0 HD12 ILE A 542 2.519 -24.087 -11.543 1.00 52.23 H new ATOM 0 HD13 ILE A 542 3.947 -23.561 -12.467 1.00 52.23 H new ATOM 654 N GLU A 543 3.279 -26.582 -16.044 1.00 24.13 N ATOM 655 CA GLU A 543 3.053 -27.552 -17.101 1.00 34.01 C ATOM 656 C GLU A 543 1.660 -28.158 -16.980 1.00 51.14 C ATOM 657 O GLU A 543 1.352 -28.833 -15.977 1.00 53.52 O ATOM 658 CB GLU A 543 4.075 -28.675 -17.022 1.00 1.55 C ATOM 659 CG GLU A 543 5.523 -28.244 -17.079 1.00 11.44 C ATOM 660 CD GLU A 543 6.431 -29.413 -16.865 1.00 44.11 C ATOM 661 OE1 GLU A 543 6.638 -29.804 -15.703 1.00 74.42 O ATOM 662 OE2 GLU A 543 6.885 -30.021 -17.846 1.00 12.05 O ATOM 0 H GLU A 543 3.859 -26.925 -15.278 1.00 24.13 H new ATOM 0 HA GLU A 543 3.149 -27.032 -18.054 1.00 34.01 H new ATOM 0 HB2 GLU A 543 3.914 -29.224 -16.094 1.00 1.55 H new ATOM 0 HB3 GLU A 543 3.889 -29.370 -17.841 1.00 1.55 H new ATOM 0 HG2 GLU A 543 5.733 -27.786 -18.045 1.00 11.44 H new ATOM 0 HG3 GLU A 543 5.712 -27.486 -16.319 1.00 11.44 H new ATOM 669 N GLY A 544 0.835 -27.922 -17.964 1.00 73.03 N ATOM 670 CA GLY A 544 -0.482 -28.508 -17.992 1.00 53.33 C ATOM 671 C GLY A 544 -0.482 -29.667 -18.947 1.00 41.41 C ATOM 672 O GLY A 544 0.255 -30.640 -18.753 1.00 3.41 O ATOM 0 H GLY A 544 1.051 -27.325 -18.762 1.00 73.03 H new ATOM 0 HA2 GLY A 544 -0.766 -28.842 -16.994 1.00 53.33 H new ATOM 0 HA3 GLY A 544 -1.218 -27.766 -18.301 1.00 53.33 H new ATOM 676 N THR A 545 -1.243 -29.567 -20.004 1.00 10.02 N ATOM 677 CA THR A 545 -1.226 -30.582 -21.017 1.00 62.14 C ATOM 678 C THR A 545 0.043 -30.440 -21.856 1.00 72.45 C ATOM 679 O THR A 545 0.554 -31.413 -22.440 1.00 3.34 O ATOM 680 CB THR A 545 -2.492 -30.519 -21.872 1.00 71.52 C ATOM 681 OG1 THR A 545 -2.846 -29.139 -22.086 1.00 14.31 O ATOM 682 CG2 THR A 545 -3.634 -31.250 -21.181 1.00 1.24 C ATOM 0 H THR A 545 -1.882 -28.792 -20.184 1.00 10.02 H new ATOM 0 HA THR A 545 -1.215 -31.566 -20.547 1.00 62.14 H new ATOM 0 HB THR A 545 -2.306 -31.003 -22.831 1.00 71.52 H new ATOM 0 HG1 THR A 545 -3.656 -29.090 -22.635 1.00 14.31 H new ATOM 0 HG21 THR A 545 -4.529 -31.197 -21.802 1.00 1.24 H new ATOM 0 HG22 THR A 545 -3.359 -32.294 -21.030 1.00 1.24 H new ATOM 0 HG23 THR A 545 -3.833 -30.784 -20.216 1.00 1.24 H new ATOM 690 N ALA A 546 0.568 -29.234 -21.852 1.00 34.51 N ATOM 691 CA ALA A 546 1.812 -28.919 -22.488 1.00 73.32 C ATOM 692 C ALA A 546 2.948 -29.273 -21.536 1.00 71.05 C ATOM 693 O ALA A 546 2.913 -28.899 -20.356 1.00 0.14 O ATOM 694 CB ALA A 546 1.850 -27.446 -22.815 1.00 32.31 C ATOM 0 H ALA A 546 0.127 -28.435 -21.396 1.00 34.51 H new ATOM 0 HA ALA A 546 1.918 -29.487 -23.412 1.00 73.32 H new ATOM 0 HB1 ALA A 546 2.796 -27.205 -23.299 1.00 32.31 H new ATOM 0 HB2 ALA A 546 1.027 -27.201 -23.486 1.00 32.31 H new ATOM 0 HB3 ALA A 546 1.755 -26.867 -21.897 1.00 32.31 H new ATOM 700 N ARG A 547 3.906 -30.012 -22.023 1.00 4.20 N ATOM 701 CA ARG A 547 5.044 -30.440 -21.230 1.00 10.11 C ATOM 702 C ARG A 547 6.202 -29.472 -21.451 1.00 63.45 C ATOM 703 O ARG A 547 6.431 -29.005 -22.594 1.00 44.33 O ATOM 704 CB ARG A 547 5.470 -31.823 -21.693 1.00 60.02 C ATOM 705 CG ARG A 547 6.520 -32.527 -20.840 1.00 24.34 C ATOM 706 CD ARG A 547 5.942 -33.224 -19.604 1.00 0.10 C ATOM 707 NE ARG A 547 5.709 -32.368 -18.429 1.00 63.32 N ATOM 708 CZ ARG A 547 4.935 -32.734 -17.378 1.00 73.40 C ATOM 709 NH1 ARG A 547 4.154 -33.809 -17.467 1.00 64.14 N ATOM 710 NH2 ARG A 547 4.953 -32.026 -16.243 1.00 42.03 N ATOM 0 H ARG A 547 3.927 -30.341 -22.988 1.00 4.20 H new ATOM 0 HA ARG A 547 4.773 -30.460 -20.174 1.00 10.11 H new ATOM 0 HB2 ARG A 547 4.584 -32.457 -21.738 1.00 60.02 H new ATOM 0 HB3 ARG A 547 5.854 -31.740 -22.710 1.00 60.02 H new ATOM 0 HG2 ARG A 547 7.039 -33.264 -21.453 1.00 24.34 H new ATOM 0 HG3 ARG A 547 7.264 -31.798 -20.520 1.00 24.34 H new ATOM 0 HD2 ARG A 547 4.996 -33.689 -19.883 1.00 0.10 H new ATOM 0 HD3 ARG A 547 6.619 -34.027 -19.315 1.00 0.10 H new ATOM 0 HE ARG A 547 6.154 -31.450 -18.404 1.00 63.32 H new ATOM 0 HH11 ARG A 547 4.138 -34.358 -18.327 1.00 64.14 H new ATOM 0 HH12 ARG A 547 3.572 -34.084 -16.676 1.00 64.14 H new ATOM 0 HH21 ARG A 547 5.552 -31.204 -16.164 1.00 42.03 H new ATOM 0 HH22 ARG A 547 4.368 -32.308 -15.457 1.00 42.03 H new ATOM 724 N GLY A 548 6.920 -29.171 -20.394 1.00 53.33 N ATOM 725 CA GLY A 548 8.055 -28.316 -20.490 1.00 1.23 C ATOM 726 C GLY A 548 9.283 -29.094 -20.882 1.00 13.45 C ATOM 727 O GLY A 548 9.184 -30.224 -21.390 1.00 74.24 O ATOM 0 H GLY A 548 6.726 -29.515 -19.454 1.00 53.33 H new ATOM 0 HA2 GLY A 548 7.865 -27.534 -21.225 1.00 1.23 H new ATOM 0 HA3 GLY A 548 8.224 -27.820 -19.534 1.00 1.23 H new ATOM 731 N GLY A 549 10.427 -28.533 -20.632 1.00 70.35 N ATOM 732 CA GLY A 549 11.664 -29.166 -21.031 1.00 32.11 C ATOM 733 C GLY A 549 11.945 -28.961 -22.494 1.00 50.41 C ATOM 734 O GLY A 549 12.771 -29.665 -23.082 1.00 50.13 O ATOM 0 H GLY A 549 10.538 -27.639 -20.154 1.00 70.35 H new ATOM 0 HA2 GLY A 549 12.487 -28.761 -20.442 1.00 32.11 H new ATOM 0 HA3 GLY A 549 11.613 -30.233 -20.816 1.00 32.11 H new ATOM 738 N GLY A 550 11.259 -27.998 -23.079 1.00 1.33 N ATOM 739 CA GLY A 550 11.429 -27.703 -24.474 1.00 31.03 C ATOM 740 C GLY A 550 10.657 -28.662 -25.343 1.00 62.12 C ATOM 741 O GLY A 550 11.079 -28.995 -26.434 1.00 70.05 O ATOM 0 H GLY A 550 10.578 -27.409 -22.601 1.00 1.33 H new ATOM 0 HA2 GLY A 550 11.098 -26.684 -24.674 1.00 31.03 H new ATOM 0 HA3 GLY A 550 12.487 -27.751 -24.730 1.00 31.03 H new ATOM 745 N GLU A 551 9.541 -29.132 -24.849 1.00 35.13 N ATOM 746 CA GLU A 551 8.723 -30.053 -25.607 1.00 63.45 C ATOM 747 C GLU A 551 7.655 -29.312 -26.361 1.00 74.41 C ATOM 748 O GLU A 551 7.712 -29.195 -27.582 1.00 74.25 O ATOM 749 CB GLU A 551 8.089 -31.091 -24.700 1.00 21.24 C ATOM 750 CG GLU A 551 9.078 -32.008 -24.033 1.00 53.00 C ATOM 751 CD GLU A 551 9.863 -32.827 -25.016 1.00 74.01 C ATOM 752 OE1 GLU A 551 9.265 -33.654 -25.720 1.00 14.15 O ATOM 753 OE2 GLU A 551 11.095 -32.662 -25.097 1.00 72.40 O ATOM 0 H GLU A 551 9.175 -28.895 -23.927 1.00 35.13 H new ATOM 0 HA GLU A 551 9.370 -30.565 -26.319 1.00 63.45 H new ATOM 0 HB2 GLU A 551 7.507 -30.581 -23.932 1.00 21.24 H new ATOM 0 HB3 GLU A 551 7.390 -31.690 -25.284 1.00 21.24 H new ATOM 0 HG2 GLU A 551 9.765 -31.416 -23.428 1.00 53.00 H new ATOM 0 HG3 GLU A 551 8.548 -32.674 -23.353 1.00 53.00 H new ATOM 760 N ASP A 552 6.693 -28.808 -25.631 1.00 52.24 N ATOM 761 CA ASP A 552 5.601 -28.071 -26.239 1.00 13.50 C ATOM 762 C ASP A 552 5.878 -26.597 -26.050 1.00 54.30 C ATOM 763 O ASP A 552 5.550 -25.763 -26.859 1.00 74.13 O ATOM 764 CB ASP A 552 4.281 -28.487 -25.597 1.00 44.20 C ATOM 765 CG ASP A 552 3.072 -28.058 -26.395 1.00 10.41 C ATOM 766 OD1 ASP A 552 2.902 -28.553 -27.529 1.00 15.11 O ATOM 767 OD2 ASP A 552 2.271 -27.289 -25.896 1.00 72.13 O ATOM 0 H ASP A 552 6.638 -28.891 -24.616 1.00 52.24 H new ATOM 0 HA ASP A 552 5.523 -28.286 -27.305 1.00 13.50 H new ATOM 0 HB2 ASP A 552 4.266 -29.571 -25.481 1.00 44.20 H new ATOM 0 HB3 ASP A 552 4.219 -28.058 -24.597 1.00 44.20 H new ATOM 772 N PHE A 553 6.553 -26.302 -24.986 1.00 52.45 N ATOM 773 CA PHE A 553 7.008 -24.981 -24.723 1.00 14.44 C ATOM 774 C PHE A 553 8.343 -25.099 -24.063 1.00 32.54 C ATOM 775 O PHE A 553 8.678 -26.167 -23.499 1.00 2.41 O ATOM 776 CB PHE A 553 6.030 -24.193 -23.831 1.00 1.00 C ATOM 777 CG PHE A 553 5.870 -24.726 -22.429 1.00 12.42 C ATOM 778 CD1 PHE A 553 5.002 -25.762 -22.166 1.00 53.24 C ATOM 779 CD2 PHE A 553 6.579 -24.171 -21.379 1.00 23.25 C ATOM 780 CE1 PHE A 553 4.839 -26.237 -20.886 1.00 74.22 C ATOM 781 CE2 PHE A 553 6.427 -24.643 -20.099 1.00 74.13 C ATOM 782 CZ PHE A 553 5.554 -25.679 -19.849 1.00 22.12 C ATOM 0 H PHE A 553 6.805 -26.982 -24.269 1.00 52.45 H new ATOM 0 HA PHE A 553 7.077 -24.425 -25.658 1.00 14.44 H new ATOM 0 HB2 PHE A 553 6.369 -23.159 -23.773 1.00 1.00 H new ATOM 0 HB3 PHE A 553 5.052 -24.182 -24.312 1.00 1.00 H new ATOM 0 HD1 PHE A 553 4.442 -26.207 -22.975 1.00 53.24 H new ATOM 0 HD2 PHE A 553 7.261 -23.356 -21.569 1.00 23.25 H new ATOM 0 HE1 PHE A 553 4.151 -27.047 -20.694 1.00 74.22 H new ATOM 0 HE2 PHE A 553 6.991 -24.203 -19.290 1.00 74.13 H new ATOM 0 HZ PHE A 553 5.431 -26.053 -18.843 1.00 22.12 H new ATOM 792 N GLU A 554 9.116 -24.073 -24.138 1.00 64.43 N ATOM 793 CA GLU A 554 10.383 -24.081 -23.499 1.00 20.15 C ATOM 794 C GLU A 554 10.203 -23.406 -22.162 1.00 30.41 C ATOM 795 O GLU A 554 9.517 -22.379 -22.075 1.00 63.31 O ATOM 796 CB GLU A 554 11.406 -23.335 -24.325 1.00 24.11 C ATOM 797 CG GLU A 554 12.787 -23.907 -24.198 1.00 51.32 C ATOM 798 CD GLU A 554 13.845 -23.052 -24.790 1.00 73.41 C ATOM 799 OE1 GLU A 554 14.060 -21.926 -24.303 1.00 42.31 O ATOM 800 OE2 GLU A 554 14.475 -23.484 -25.767 1.00 50.51 O ATOM 0 H GLU A 554 8.891 -23.213 -24.639 1.00 64.43 H new ATOM 0 HA GLU A 554 10.745 -25.102 -23.380 1.00 20.15 H new ATOM 0 HB2 GLU A 554 11.105 -23.355 -25.372 1.00 24.11 H new ATOM 0 HB3 GLU A 554 11.421 -22.289 -24.018 1.00 24.11 H new ATOM 0 HG2 GLU A 554 13.009 -24.066 -23.143 1.00 51.32 H new ATOM 0 HG3 GLU A 554 12.811 -24.885 -24.679 1.00 51.32 H new ATOM 807 N ASP A 555 10.769 -23.973 -21.129 1.00 52.21 N ATOM 808 CA ASP A 555 10.622 -23.408 -19.805 1.00 33.23 C ATOM 809 C ASP A 555 11.452 -22.201 -19.658 1.00 14.41 C ATOM 810 O ASP A 555 12.680 -22.250 -19.813 1.00 10.45 O ATOM 811 CB ASP A 555 10.981 -24.373 -18.676 1.00 20.42 C ATOM 812 CG ASP A 555 9.991 -25.464 -18.472 1.00 42.12 C ATOM 813 OD1 ASP A 555 8.889 -25.194 -17.943 1.00 2.01 O ATOM 814 OD2 ASP A 555 10.321 -26.629 -18.777 1.00 41.13 O ATOM 0 H ASP A 555 11.334 -24.821 -21.174 1.00 52.21 H new ATOM 0 HA ASP A 555 9.562 -23.170 -19.715 1.00 33.23 H new ATOM 0 HB2 ASP A 555 11.955 -24.815 -18.886 1.00 20.42 H new ATOM 0 HB3 ASP A 555 11.081 -23.809 -17.748 1.00 20.42 H new ATOM 819 N THR A 556 10.816 -21.135 -19.378 1.00 14.23 N ATOM 820 CA THR A 556 11.475 -19.940 -19.101 1.00 13.54 C ATOM 821 C THR A 556 10.973 -19.510 -17.756 1.00 24.22 C ATOM 822 O THR A 556 9.766 -19.411 -17.524 1.00 11.25 O ATOM 823 CB THR A 556 11.275 -18.848 -20.217 1.00 72.40 C ATOM 824 OG1 THR A 556 11.995 -17.637 -19.910 1.00 44.32 O ATOM 825 CG2 THR A 556 9.815 -18.526 -20.453 1.00 3.50 C ATOM 0 H THR A 556 9.799 -21.074 -19.336 1.00 14.23 H new ATOM 0 HA THR A 556 12.556 -20.082 -19.089 1.00 13.54 H new ATOM 0 HB THR A 556 11.680 -19.277 -21.133 1.00 72.40 H new ATOM 0 HG1 THR A 556 11.485 -17.109 -19.261 1.00 44.32 H new ATOM 0 HG21 THR A 556 9.731 -17.768 -21.232 1.00 3.50 H new ATOM 0 HG22 THR A 556 9.290 -19.428 -20.767 1.00 3.50 H new ATOM 0 HG23 THR A 556 9.372 -18.150 -19.531 1.00 3.50 H new ATOM 833 N CYS A 557 11.861 -19.394 -16.860 1.00 23.32 N ATOM 834 CA CYS A 557 11.554 -19.018 -15.535 1.00 63.23 C ATOM 835 C CYS A 557 12.589 -18.040 -15.127 1.00 53.21 C ATOM 836 O CYS A 557 13.762 -18.191 -15.497 1.00 13.13 O ATOM 837 CB CYS A 557 11.569 -20.254 -14.631 1.00 51.51 C ATOM 838 SG CYS A 557 13.109 -21.210 -14.743 1.00 35.42 S ATOM 0 H CYS A 557 12.854 -19.561 -17.025 1.00 23.32 H new ATOM 0 HA CYS A 557 10.561 -18.575 -15.457 1.00 63.23 H new ATOM 0 HB2 CYS A 557 11.418 -19.941 -13.598 1.00 51.51 H new ATOM 0 HB3 CYS A 557 10.730 -20.898 -14.895 1.00 51.51 H new ATOM 0 HG CYS A 557 14.081 -20.426 -15.102 1.00 35.42 H new ATOM 844 N GLY A 558 12.207 -17.031 -14.447 1.00 61.54 N ATOM 845 CA GLY A 558 13.170 -16.091 -14.073 1.00 21.23 C ATOM 846 C GLY A 558 12.631 -15.037 -13.221 1.00 35.43 C ATOM 847 O GLY A 558 11.502 -15.132 -12.735 1.00 71.24 O ATOM 0 H GLY A 558 11.251 -16.841 -14.145 1.00 61.54 H new ATOM 0 HA2 GLY A 558 13.980 -16.597 -13.548 1.00 21.23 H new ATOM 0 HA3 GLY A 558 13.601 -15.643 -14.968 1.00 21.23 H new ATOM 851 N GLU A 559 13.409 -14.024 -13.084 1.00 61.43 N ATOM 852 CA GLU A 559 13.149 -12.934 -12.239 1.00 64.45 C ATOM 853 C GLU A 559 13.170 -11.654 -13.062 1.00 15.30 C ATOM 854 O GLU A 559 14.197 -11.283 -13.652 1.00 63.40 O ATOM 855 CB GLU A 559 14.207 -12.910 -11.141 1.00 33.02 C ATOM 856 CG GLU A 559 14.283 -14.205 -10.340 1.00 0.11 C ATOM 857 CD GLU A 559 15.283 -14.155 -9.218 1.00 21.33 C ATOM 858 OE1 GLU A 559 16.500 -14.248 -9.476 1.00 63.14 O ATOM 859 OE2 GLU A 559 14.871 -14.061 -8.052 1.00 70.43 O ATOM 0 H GLU A 559 14.290 -13.937 -13.590 1.00 61.43 H new ATOM 0 HA GLU A 559 12.167 -13.022 -11.774 1.00 64.45 H new ATOM 0 HB2 GLU A 559 15.180 -12.712 -11.590 1.00 33.02 H new ATOM 0 HB3 GLU A 559 13.996 -12.084 -10.462 1.00 33.02 H new ATOM 0 HG2 GLU A 559 13.298 -14.428 -9.929 1.00 0.11 H new ATOM 0 HG3 GLU A 559 14.542 -15.024 -11.011 1.00 0.11 H new ATOM 866 N LEU A 560 12.036 -11.033 -13.160 1.00 74.25 N ATOM 867 CA LEU A 560 11.877 -9.800 -13.884 1.00 24.02 C ATOM 868 C LEU A 560 12.160 -8.649 -12.966 1.00 73.15 C ATOM 869 O LEU A 560 11.817 -8.690 -11.798 1.00 43.54 O ATOM 870 CB LEU A 560 10.452 -9.692 -14.399 1.00 4.12 C ATOM 871 CG LEU A 560 10.018 -10.770 -15.375 1.00 35.32 C ATOM 872 CD1 LEU A 560 8.536 -10.664 -15.646 1.00 41.52 C ATOM 873 CD2 LEU A 560 10.808 -10.677 -16.677 1.00 2.13 C ATOM 0 H LEU A 560 11.174 -11.372 -12.732 1.00 74.25 H new ATOM 0 HA LEU A 560 12.569 -9.780 -14.726 1.00 24.02 H new ATOM 0 HB2 LEU A 560 9.775 -9.708 -13.545 1.00 4.12 H new ATOM 0 HB3 LEU A 560 10.333 -8.722 -14.882 1.00 4.12 H new ATOM 0 HG LEU A 560 10.223 -11.741 -14.925 1.00 35.32 H new ATOM 0 HD11 LEU A 560 8.238 -11.443 -16.348 1.00 41.52 H new ATOM 0 HD12 LEU A 560 7.986 -10.786 -14.713 1.00 41.52 H new ATOM 0 HD13 LEU A 560 8.313 -9.686 -16.073 1.00 41.52 H new ATOM 0 HD21 LEU A 560 10.478 -11.460 -17.359 1.00 2.13 H new ATOM 0 HD22 LEU A 560 10.641 -9.702 -17.135 1.00 2.13 H new ATOM 0 HD23 LEU A 560 11.870 -10.802 -16.468 1.00 2.13 H new ATOM 885 N GLU A 561 12.773 -7.646 -13.476 1.00 72.21 N ATOM 886 CA GLU A 561 13.095 -6.509 -12.681 1.00 34.45 C ATOM 887 C GLU A 561 12.142 -5.365 -12.979 1.00 3.54 C ATOM 888 O GLU A 561 12.078 -4.878 -14.110 1.00 72.14 O ATOM 889 CB GLU A 561 14.509 -6.065 -12.961 1.00 34.32 C ATOM 890 CG GLU A 561 14.899 -4.836 -12.192 1.00 2.35 C ATOM 891 CD GLU A 561 16.128 -4.207 -12.729 1.00 10.44 C ATOM 892 OE1 GLU A 561 16.205 -3.994 -13.971 1.00 44.12 O ATOM 893 OE2 GLU A 561 17.006 -3.883 -11.943 1.00 41.44 O ATOM 0 H GLU A 561 13.067 -7.585 -14.451 1.00 72.21 H new ATOM 0 HA GLU A 561 13.001 -6.788 -11.631 1.00 34.45 H new ATOM 0 HB2 GLU A 561 15.195 -6.875 -12.713 1.00 34.32 H new ATOM 0 HB3 GLU A 561 14.619 -5.870 -14.028 1.00 34.32 H new ATOM 0 HG2 GLU A 561 14.081 -4.116 -12.222 1.00 2.35 H new ATOM 0 HG3 GLU A 561 15.054 -5.098 -11.146 1.00 2.35 H new ATOM 900 N PHE A 562 11.403 -4.969 -12.001 1.00 23.12 N ATOM 901 CA PHE A 562 10.556 -3.818 -12.095 1.00 5.43 C ATOM 902 C PHE A 562 11.045 -2.793 -11.116 1.00 0.20 C ATOM 903 O PHE A 562 10.832 -2.917 -9.921 1.00 72.55 O ATOM 904 CB PHE A 562 9.092 -4.163 -11.827 1.00 14.45 C ATOM 905 CG PHE A 562 8.395 -4.853 -12.964 1.00 13.21 C ATOM 906 CD1 PHE A 562 8.542 -6.215 -13.188 1.00 2.24 C ATOM 907 CD2 PHE A 562 7.575 -4.130 -13.806 1.00 64.02 C ATOM 908 CE1 PHE A 562 7.882 -6.825 -14.226 1.00 54.41 C ATOM 909 CE2 PHE A 562 6.916 -4.735 -14.837 1.00 71.24 C ATOM 910 CZ PHE A 562 7.067 -6.079 -15.047 1.00 15.43 C ATOM 0 H PHE A 562 11.366 -5.439 -11.097 1.00 23.12 H new ATOM 0 HA PHE A 562 10.602 -3.425 -13.111 1.00 5.43 H new ATOM 0 HB2 PHE A 562 9.038 -4.800 -10.944 1.00 14.45 H new ATOM 0 HB3 PHE A 562 8.553 -3.245 -11.591 1.00 14.45 H new ATOM 0 HD1 PHE A 562 9.180 -6.799 -12.541 1.00 2.24 H new ATOM 0 HD2 PHE A 562 7.453 -3.069 -13.647 1.00 64.02 H new ATOM 0 HE1 PHE A 562 8.002 -7.885 -14.397 1.00 54.41 H new ATOM 0 HE2 PHE A 562 6.277 -4.154 -15.486 1.00 71.24 H new ATOM 0 HZ PHE A 562 6.544 -6.557 -15.862 1.00 15.43 H new ATOM 920 N GLN A 563 11.773 -1.830 -11.613 1.00 73.13 N ATOM 921 CA GLN A 563 12.322 -0.803 -10.767 1.00 50.51 C ATOM 922 C GLN A 563 11.241 0.218 -10.391 1.00 21.02 C ATOM 923 O GLN A 563 10.573 0.073 -9.373 1.00 13.24 O ATOM 924 CB GLN A 563 13.551 -0.132 -11.407 1.00 73.51 C ATOM 925 CG GLN A 563 14.636 -1.115 -11.844 1.00 21.11 C ATOM 926 CD GLN A 563 15.876 -0.433 -12.398 1.00 62.53 C ATOM 927 OE1 GLN A 563 15.807 0.661 -12.938 1.00 42.13 O ATOM 928 NE2 GLN A 563 17.002 -1.095 -12.338 1.00 75.23 N ATOM 0 H GLN A 563 12.001 -1.734 -12.603 1.00 73.13 H new ATOM 0 HA GLN A 563 12.671 -1.273 -9.848 1.00 50.51 H new ATOM 0 HB2 GLN A 563 13.228 0.445 -12.273 1.00 73.51 H new ATOM 0 HB3 GLN A 563 13.979 0.574 -10.695 1.00 73.51 H new ATOM 0 HG2 GLN A 563 14.920 -1.734 -10.993 1.00 21.11 H new ATOM 0 HG3 GLN A 563 14.228 -1.783 -12.602 1.00 21.11 H new ATOM 0 HE21 GLN A 563 17.034 -2.007 -11.882 1.00 75.23 H new ATOM 0 HE22 GLN A 563 17.848 -0.700 -12.747 1.00 75.23 H new ATOM 937 N ASN A 564 11.049 1.225 -11.201 1.00 20.51 N ATOM 938 CA ASN A 564 10.004 2.184 -10.928 1.00 63.40 C ATOM 939 C ASN A 564 8.826 1.957 -11.882 1.00 40.40 C ATOM 940 O ASN A 564 8.969 1.264 -12.892 1.00 33.51 O ATOM 941 CB ASN A 564 10.552 3.630 -10.954 1.00 12.31 C ATOM 942 CG ASN A 564 9.543 4.669 -10.507 1.00 42.21 C ATOM 943 OD1 ASN A 564 9.304 4.835 -9.315 1.00 72.43 O ATOM 944 ND2 ASN A 564 9.043 5.444 -11.432 1.00 42.01 N ATOM 0 H ASN A 564 11.593 1.404 -12.045 1.00 20.51 H new ATOM 0 HA ASN A 564 9.626 2.034 -9.917 1.00 63.40 H new ATOM 0 HB2 ASN A 564 11.430 3.688 -10.311 1.00 12.31 H new ATOM 0 HB3 ASN A 564 10.881 3.867 -11.966 1.00 12.31 H new ATOM 0 HD21 ASN A 564 8.431 6.218 -11.173 1.00 42.01 H new ATOM 0 HD22 ASN A 564 9.264 5.275 -12.413 1.00 42.01 H new ATOM 951 N ASP A 565 7.681 2.541 -11.563 1.00 25.32 N ATOM 952 CA ASP A 565 6.399 2.387 -12.316 1.00 60.42 C ATOM 953 C ASP A 565 6.469 2.771 -13.803 1.00 60.24 C ATOM 954 O ASP A 565 5.537 2.489 -14.565 1.00 30.13 O ATOM 955 CB ASP A 565 5.287 3.210 -11.653 1.00 43.42 C ATOM 956 CG ASP A 565 5.475 4.719 -11.750 1.00 35.34 C ATOM 957 OD1 ASP A 565 5.079 5.340 -12.770 1.00 42.03 O ATOM 958 OD2 ASP A 565 5.974 5.321 -10.791 1.00 74.53 O ATOM 0 H ASP A 565 7.592 3.157 -10.755 1.00 25.32 H new ATOM 0 HA ASP A 565 6.185 1.319 -12.278 1.00 60.42 H new ATOM 0 HB2 ASP A 565 4.334 2.945 -12.111 1.00 43.42 H new ATOM 0 HB3 ASP A 565 5.224 2.931 -10.601 1.00 43.42 H new ATOM 963 N GLU A 566 7.541 3.394 -14.192 1.00 24.42 N ATOM 964 CA GLU A 566 7.716 3.909 -15.533 1.00 23.35 C ATOM 965 C GLU A 566 8.121 2.829 -16.544 1.00 4.23 C ATOM 966 O GLU A 566 8.051 3.047 -17.749 1.00 32.15 O ATOM 967 CB GLU A 566 8.745 5.034 -15.492 1.00 20.43 C ATOM 968 CG GLU A 566 10.074 4.623 -14.879 1.00 50.52 C ATOM 969 CD GLU A 566 10.980 5.784 -14.629 1.00 32.43 C ATOM 970 OE1 GLU A 566 10.886 6.394 -13.553 1.00 24.04 O ATOM 971 OE2 GLU A 566 11.814 6.111 -15.492 1.00 71.34 O ATOM 0 H GLU A 566 8.339 3.566 -13.580 1.00 24.42 H new ATOM 0 HA GLU A 566 6.754 4.288 -15.879 1.00 23.35 H new ATOM 0 HB2 GLU A 566 8.918 5.393 -16.506 1.00 20.43 H new ATOM 0 HB3 GLU A 566 8.335 5.869 -14.924 1.00 20.43 H new ATOM 0 HG2 GLU A 566 9.890 4.103 -13.939 1.00 50.52 H new ATOM 0 HG3 GLU A 566 10.572 3.916 -15.543 1.00 50.52 H new ATOM 978 N ILE A 567 8.537 1.681 -16.066 1.00 71.54 N ATOM 979 CA ILE A 567 8.986 0.625 -16.958 1.00 64.21 C ATOM 980 C ILE A 567 8.083 -0.595 -16.905 1.00 4.24 C ATOM 981 O ILE A 567 7.176 -0.692 -16.047 1.00 65.14 O ATOM 982 CB ILE A 567 10.455 0.209 -16.713 1.00 24.32 C ATOM 983 CG1 ILE A 567 10.655 -0.218 -15.255 1.00 31.42 C ATOM 984 CG2 ILE A 567 11.407 1.337 -17.104 1.00 23.31 C ATOM 985 CD1 ILE A 567 12.059 -0.675 -14.930 1.00 72.10 C ATOM 0 H ILE A 567 8.576 1.450 -15.073 1.00 71.54 H new ATOM 0 HA ILE A 567 8.928 1.054 -17.959 1.00 64.21 H new ATOM 0 HB ILE A 567 10.686 -0.649 -17.345 1.00 24.32 H new ATOM 0 HG12 ILE A 567 10.397 0.618 -14.605 1.00 31.42 H new ATOM 0 HG13 ILE A 567 9.960 -1.026 -15.026 1.00 31.42 H new ATOM 0 HG21 ILE A 567 12.435 1.024 -16.924 1.00 23.31 H new ATOM 0 HG22 ILE A 567 11.279 1.571 -18.161 1.00 23.31 H new ATOM 0 HG23 ILE A 567 11.187 2.222 -16.507 1.00 23.31 H new ATOM 0 HD11 ILE A 567 12.115 -0.959 -13.879 1.00 72.10 H new ATOM 0 HD12 ILE A 567 12.316 -1.532 -15.552 1.00 72.10 H new ATOM 0 HD13 ILE A 567 12.760 0.137 -15.124 1.00 72.10 H new ATOM 997 N VAL A 568 8.294 -1.498 -17.835 1.00 1.32 N ATOM 998 CA VAL A 568 7.533 -2.712 -17.918 1.00 20.23 C ATOM 999 C VAL A 568 8.477 -3.849 -18.340 1.00 13.52 C ATOM 1000 O VAL A 568 9.583 -3.595 -18.836 1.00 11.43 O ATOM 1001 CB VAL A 568 6.350 -2.558 -18.935 1.00 35.23 C ATOM 1002 CG1 VAL A 568 6.828 -2.466 -20.382 1.00 63.44 C ATOM 1003 CG2 VAL A 568 5.294 -3.645 -18.761 1.00 1.32 C ATOM 0 H VAL A 568 9.006 -1.405 -18.559 1.00 1.32 H new ATOM 0 HA VAL A 568 7.095 -2.941 -16.946 1.00 20.23 H new ATOM 0 HB VAL A 568 5.874 -1.606 -18.700 1.00 35.23 H new ATOM 0 HG11 VAL A 568 5.968 -2.361 -21.043 1.00 63.44 H new ATOM 0 HG12 VAL A 568 7.481 -1.601 -20.495 1.00 63.44 H new ATOM 0 HG13 VAL A 568 7.377 -3.371 -20.642 1.00 63.44 H new ATOM 0 HG21 VAL A 568 4.495 -3.496 -19.488 1.00 1.32 H new ATOM 0 HG22 VAL A 568 5.749 -4.623 -18.918 1.00 1.32 H new ATOM 0 HG23 VAL A 568 4.882 -3.594 -17.753 1.00 1.32 H new ATOM 1013 N LYS A 569 8.090 -5.068 -18.093 1.00 71.14 N ATOM 1014 CA LYS A 569 8.881 -6.204 -18.501 1.00 23.22 C ATOM 1015 C LYS A 569 8.103 -7.146 -19.356 1.00 11.25 C ATOM 1016 O LYS A 569 6.871 -7.211 -19.265 1.00 61.03 O ATOM 1017 CB LYS A 569 9.492 -6.924 -17.315 1.00 70.12 C ATOM 1018 CG LYS A 569 10.745 -6.272 -16.748 1.00 5.33 C ATOM 1019 CD LYS A 569 12.021 -6.752 -17.455 1.00 60.23 C ATOM 1020 CE LYS A 569 12.124 -6.375 -18.938 1.00 32.52 C ATOM 1021 NZ LYS A 569 12.079 -4.912 -19.200 1.00 31.31 N ATOM 0 H LYS A 569 7.225 -5.306 -17.607 1.00 71.14 H new ATOM 0 HA LYS A 569 9.700 -5.812 -19.105 1.00 23.22 H new ATOM 0 HB2 LYS A 569 8.745 -6.991 -16.524 1.00 70.12 H new ATOM 0 HB3 LYS A 569 9.733 -7.944 -17.612 1.00 70.12 H new ATOM 0 HG2 LYS A 569 10.664 -5.189 -16.844 1.00 5.33 H new ATOM 0 HG3 LYS A 569 10.817 -6.493 -15.683 1.00 5.33 H new ATOM 0 HD2 LYS A 569 12.884 -6.342 -16.931 1.00 60.23 H new ATOM 0 HD3 LYS A 569 12.080 -7.837 -17.367 1.00 60.23 H new ATOM 0 HE2 LYS A 569 13.055 -6.776 -19.339 1.00 32.52 H new ATOM 0 HE3 LYS A 569 11.310 -6.855 -19.481 1.00 32.52 H new ATOM 0 HZ1 LYS A 569 12.188 -4.738 -20.220 1.00 31.31 H new ATOM 0 HZ2 LYS A 569 11.166 -4.530 -18.879 1.00 31.31 H new ATOM 0 HZ3 LYS A 569 12.851 -4.443 -18.685 1.00 31.31 H new ATOM 1035 N ILE A 570 8.823 -7.884 -20.164 1.00 51.05 N ATOM 1036 CA ILE A 570 8.226 -8.797 -21.109 1.00 73.03 C ATOM 1037 C ILE A 570 8.788 -10.189 -20.914 1.00 35.51 C ATOM 1038 O ILE A 570 10.008 -10.381 -20.815 1.00 30.23 O ATOM 1039 CB ILE A 570 8.472 -8.354 -22.585 1.00 41.53 C ATOM 1040 CG1 ILE A 570 7.867 -6.969 -22.856 1.00 52.03 C ATOM 1041 CG2 ILE A 570 7.906 -9.384 -23.570 1.00 50.35 C ATOM 1042 CD1 ILE A 570 8.124 -6.448 -24.256 1.00 64.02 C ATOM 0 H ILE A 570 9.843 -7.869 -20.186 1.00 51.05 H new ATOM 0 HA ILE A 570 7.152 -8.793 -20.924 1.00 73.03 H new ATOM 0 HB ILE A 570 9.550 -8.291 -22.734 1.00 41.53 H new ATOM 0 HG12 ILE A 570 6.791 -7.015 -22.688 1.00 52.03 H new ATOM 0 HG13 ILE A 570 8.272 -6.259 -22.135 1.00 52.03 H new ATOM 0 HG21 ILE A 570 8.091 -9.051 -24.591 1.00 50.35 H new ATOM 0 HG22 ILE A 570 8.391 -10.347 -23.409 1.00 50.35 H new ATOM 0 HG23 ILE A 570 6.833 -9.488 -23.411 1.00 50.35 H new ATOM 0 HD11 ILE A 570 7.665 -5.466 -24.369 1.00 64.02 H new ATOM 0 HD12 ILE A 570 9.198 -6.368 -24.423 1.00 64.02 H new ATOM 0 HD13 ILE A 570 7.694 -7.135 -24.985 1.00 64.02 H new ATOM 1054 N ILE A 571 7.904 -11.124 -20.830 1.00 0.33 N ATOM 1055 CA ILE A 571 8.239 -12.514 -20.727 1.00 61.14 C ATOM 1056 C ILE A 571 8.303 -13.066 -22.131 1.00 21.42 C ATOM 1057 O ILE A 571 7.391 -12.829 -22.926 1.00 24.24 O ATOM 1058 CB ILE A 571 7.165 -13.278 -19.928 1.00 41.10 C ATOM 1059 CG1 ILE A 571 6.975 -12.600 -18.569 1.00 61.22 C ATOM 1060 CG2 ILE A 571 7.582 -14.742 -19.750 1.00 13.24 C ATOM 1061 CD1 ILE A 571 5.854 -13.168 -17.749 1.00 44.14 C ATOM 0 H ILE A 571 6.900 -10.944 -20.831 1.00 0.33 H new ATOM 0 HA ILE A 571 9.191 -12.630 -20.209 1.00 61.14 H new ATOM 0 HB ILE A 571 6.220 -13.259 -20.471 1.00 41.10 H new ATOM 0 HG12 ILE A 571 7.902 -12.682 -18.002 1.00 61.22 H new ATOM 0 HG13 ILE A 571 6.791 -11.537 -18.728 1.00 61.22 H new ATOM 0 HG21 ILE A 571 6.816 -15.272 -19.184 1.00 13.24 H new ATOM 0 HG22 ILE A 571 7.699 -15.209 -20.728 1.00 13.24 H new ATOM 0 HG23 ILE A 571 8.528 -14.788 -19.211 1.00 13.24 H new ATOM 0 HD11 ILE A 571 5.788 -12.632 -16.802 1.00 44.14 H new ATOM 0 HD12 ILE A 571 4.915 -13.062 -18.293 1.00 44.14 H new ATOM 0 HD13 ILE A 571 6.044 -14.224 -17.555 1.00 44.14 H new ATOM 1073 N THR A 572 9.376 -13.729 -22.438 1.00 52.21 N ATOM 1074 CA THR A 572 9.600 -14.286 -23.735 1.00 42.12 C ATOM 1075 C THR A 572 9.665 -15.805 -23.649 1.00 52.03 C ATOM 1076 O THR A 572 10.581 -16.358 -23.036 1.00 45.43 O ATOM 1077 CB THR A 572 10.909 -13.719 -24.285 1.00 55.34 C ATOM 1078 OG1 THR A 572 11.906 -13.728 -23.224 1.00 71.44 O ATOM 1079 CG2 THR A 572 10.705 -12.293 -24.784 1.00 2.02 C ATOM 0 H THR A 572 10.136 -13.901 -21.779 1.00 52.21 H new ATOM 0 HA THR A 572 8.779 -14.024 -24.403 1.00 42.12 H new ATOM 0 HB THR A 572 11.244 -14.332 -25.121 1.00 55.34 H new ATOM 0 HG1 THR A 572 11.878 -14.589 -22.756 1.00 71.44 H new ATOM 0 HG21 THR A 572 11.647 -11.905 -25.172 1.00 2.02 H new ATOM 0 HG22 THR A 572 9.957 -12.288 -25.577 1.00 2.02 H new ATOM 0 HG23 THR A 572 10.365 -11.665 -23.961 1.00 2.02 H new ATOM 1087 N ILE A 573 8.695 -16.469 -24.224 1.00 60.11 N ATOM 1088 CA ILE A 573 8.634 -17.921 -24.151 1.00 0.23 C ATOM 1089 C ILE A 573 8.779 -18.535 -25.533 1.00 45.14 C ATOM 1090 O ILE A 573 8.115 -18.087 -26.483 1.00 51.52 O ATOM 1091 CB ILE A 573 7.277 -18.404 -23.554 1.00 71.21 C ATOM 1092 CG1 ILE A 573 6.982 -17.701 -22.224 1.00 44.55 C ATOM 1093 CG2 ILE A 573 7.281 -19.926 -23.358 1.00 21.25 C ATOM 1094 CD1 ILE A 573 5.643 -18.047 -21.631 1.00 62.53 C ATOM 0 H ILE A 573 7.935 -16.036 -24.748 1.00 60.11 H new ATOM 0 HA ILE A 573 9.453 -18.238 -23.506 1.00 0.23 H new ATOM 0 HB ILE A 573 6.490 -18.146 -24.262 1.00 71.21 H new ATOM 0 HG12 ILE A 573 7.762 -17.959 -21.508 1.00 44.55 H new ATOM 0 HG13 ILE A 573 7.033 -16.623 -22.376 1.00 44.55 H new ATOM 0 HG21 ILE A 573 6.325 -20.242 -22.941 1.00 21.25 H new ATOM 0 HG22 ILE A 573 7.437 -20.416 -24.319 1.00 21.25 H new ATOM 0 HG23 ILE A 573 8.084 -20.203 -22.675 1.00 21.25 H new ATOM 0 HD11 ILE A 573 5.511 -17.509 -20.692 1.00 62.53 H new ATOM 0 HD12 ILE A 573 4.853 -17.763 -22.326 1.00 62.53 H new ATOM 0 HD13 ILE A 573 5.594 -19.120 -21.445 1.00 62.53 H new ATOM 1106 N ARG A 574 9.667 -19.523 -25.655 1.00 23.00 N ATOM 1107 CA ARG A 574 9.761 -20.315 -26.871 1.00 71.14 C ATOM 1108 C ARG A 574 8.559 -21.218 -26.992 1.00 51.12 C ATOM 1109 O ARG A 574 8.323 -22.090 -26.141 1.00 54.24 O ATOM 1110 CB ARG A 574 11.045 -21.142 -26.947 1.00 30.12 C ATOM 1111 CG ARG A 574 12.248 -20.384 -27.427 1.00 74.35 C ATOM 1112 CD ARG A 574 13.446 -21.274 -27.554 1.00 31.03 C ATOM 1113 NE ARG A 574 14.620 -20.558 -28.037 1.00 21.32 N ATOM 1114 CZ ARG A 574 15.871 -21.018 -27.983 1.00 42.41 C ATOM 1115 NH1 ARG A 574 16.150 -22.135 -27.325 1.00 73.15 N ATOM 1116 NH2 ARG A 574 16.845 -20.322 -28.541 1.00 71.43 N ATOM 0 H ARG A 574 10.328 -19.789 -24.925 1.00 23.00 H new ATOM 0 HA ARG A 574 9.787 -19.613 -27.704 1.00 71.14 H new ATOM 0 HB2 ARG A 574 11.259 -21.549 -25.959 1.00 30.12 H new ATOM 0 HB3 ARG A 574 10.877 -21.990 -27.611 1.00 30.12 H new ATOM 0 HG2 ARG A 574 12.030 -19.927 -28.392 1.00 74.35 H new ATOM 0 HG3 ARG A 574 12.468 -19.573 -26.733 1.00 74.35 H new ATOM 0 HD2 ARG A 574 13.669 -21.720 -26.585 1.00 31.03 H new ATOM 0 HD3 ARG A 574 13.217 -22.093 -28.236 1.00 31.03 H new ATOM 0 HE ARG A 574 14.474 -19.636 -28.447 1.00 21.32 H new ATOM 0 HH11 ARG A 574 15.405 -22.650 -26.855 1.00 73.15 H new ATOM 0 HH12 ARG A 574 17.109 -22.480 -27.289 1.00 73.15 H new ATOM 0 HH21 ARG A 574 16.638 -19.440 -29.009 1.00 71.43 H new ATOM 0 HH22 ARG A 574 17.804 -20.667 -28.504 1.00 71.43 H new ATOM 1130 N ILE A 575 7.810 -20.985 -28.014 1.00 0.41 N ATOM 1131 CA ILE A 575 6.606 -21.705 -28.292 1.00 63.32 C ATOM 1132 C ILE A 575 6.864 -22.736 -29.370 1.00 2.33 C ATOM 1133 O ILE A 575 7.552 -22.451 -30.363 1.00 54.52 O ATOM 1134 CB ILE A 575 5.480 -20.721 -28.733 1.00 34.35 C ATOM 1135 CG1 ILE A 575 5.103 -19.773 -27.580 1.00 74.25 C ATOM 1136 CG2 ILE A 575 4.256 -21.446 -29.265 1.00 75.35 C ATOM 1137 CD1 ILE A 575 4.599 -20.475 -26.322 1.00 13.30 C ATOM 0 H ILE A 575 8.022 -20.265 -28.705 1.00 0.41 H new ATOM 0 HA ILE A 575 6.278 -22.217 -27.387 1.00 63.32 H new ATOM 0 HB ILE A 575 5.877 -20.126 -29.556 1.00 34.35 H new ATOM 0 HG12 ILE A 575 5.975 -19.172 -27.321 1.00 74.25 H new ATOM 0 HG13 ILE A 575 4.334 -19.084 -27.929 1.00 74.25 H new ATOM 0 HG21 ILE A 575 3.501 -20.717 -29.559 1.00 75.35 H new ATOM 0 HG22 ILE A 575 4.536 -22.047 -30.130 1.00 75.35 H new ATOM 0 HG23 ILE A 575 3.851 -22.095 -28.488 1.00 75.35 H new ATOM 0 HD11 ILE A 575 4.357 -19.731 -25.563 1.00 13.30 H new ATOM 0 HD12 ILE A 575 3.707 -21.053 -26.561 1.00 13.30 H new ATOM 0 HD13 ILE A 575 5.373 -21.142 -25.943 1.00 13.30 H new ATOM 1149 N PHE A 576 6.349 -23.914 -29.157 1.00 32.41 N ATOM 1150 CA PHE A 576 6.454 -25.009 -30.072 1.00 23.33 C ATOM 1151 C PHE A 576 5.095 -25.672 -30.059 1.00 34.45 C ATOM 1152 O PHE A 576 4.268 -25.343 -29.219 1.00 55.32 O ATOM 1153 CB PHE A 576 7.473 -26.082 -29.586 1.00 54.43 C ATOM 1154 CG PHE A 576 8.798 -25.594 -29.043 1.00 73.31 C ATOM 1155 CD1 PHE A 576 9.815 -25.151 -29.874 1.00 5.32 C ATOM 1156 CD2 PHE A 576 9.024 -25.623 -27.682 1.00 62.34 C ATOM 1157 CE1 PHE A 576 11.033 -24.743 -29.338 1.00 13.32 C ATOM 1158 CE2 PHE A 576 10.221 -25.218 -27.148 1.00 74.05 C ATOM 1159 CZ PHE A 576 11.230 -24.778 -27.964 1.00 11.20 C ATOM 0 H PHE A 576 5.827 -24.143 -28.311 1.00 32.41 H new ATOM 0 HA PHE A 576 6.777 -24.642 -31.046 1.00 23.33 H new ATOM 0 HB2 PHE A 576 6.990 -26.677 -28.810 1.00 54.43 H new ATOM 0 HB3 PHE A 576 7.678 -26.753 -30.420 1.00 54.43 H new ATOM 0 HD1 PHE A 576 9.662 -25.122 -30.943 1.00 5.32 H new ATOM 0 HD2 PHE A 576 8.242 -25.972 -27.024 1.00 62.34 H new ATOM 0 HE1 PHE A 576 11.823 -24.400 -29.989 1.00 13.32 H new ATOM 0 HE2 PHE A 576 10.369 -25.246 -26.079 1.00 74.05 H new ATOM 0 HZ PHE A 576 12.172 -24.461 -27.541 1.00 11.20 H new ATOM 1308 N CYS A 585 -3.194 -27.965 -26.192 1.00 4.42 N ATOM 1309 CA CYS A 585 -2.145 -28.026 -25.222 1.00 21.32 C ATOM 1310 C CYS A 585 -1.945 -26.670 -24.579 1.00 41.24 C ATOM 1311 O CYS A 585 -1.819 -25.653 -25.255 1.00 10.11 O ATOM 1312 CB CYS A 585 -0.863 -28.627 -25.818 1.00 25.04 C ATOM 1313 SG CYS A 585 -0.375 -27.963 -27.422 1.00 14.13 S ATOM 0 HA CYS A 585 -2.435 -28.708 -24.423 1.00 21.32 H new ATOM 0 HB2 CYS A 585 -0.046 -28.469 -25.114 1.00 25.04 H new ATOM 0 HB3 CYS A 585 -0.997 -29.704 -25.915 1.00 25.04 H new ATOM 0 HG CYS A 585 0.803 -27.422 -27.327 1.00 14.13 H new ATOM 1319 N SER A 586 -2.022 -26.634 -23.284 1.00 34.21 N ATOM 1320 CA SER A 586 -1.895 -25.406 -22.598 1.00 51.13 C ATOM 1321 C SER A 586 -0.984 -25.540 -21.407 1.00 52.21 C ATOM 1322 O SER A 586 -0.835 -26.638 -20.817 1.00 4.13 O ATOM 1323 CB SER A 586 -3.278 -24.912 -22.161 1.00 34.42 C ATOM 1324 OG SER A 586 -3.910 -25.847 -21.292 1.00 35.32 O ATOM 0 H SER A 586 -2.173 -27.448 -22.689 1.00 34.21 H new ATOM 0 HA SER A 586 -1.451 -24.677 -23.275 1.00 51.13 H new ATOM 0 HB2 SER A 586 -3.181 -23.951 -21.656 1.00 34.42 H new ATOM 0 HB3 SER A 586 -3.903 -24.749 -23.039 1.00 34.42 H new ATOM 0 HG SER A 586 -4.790 -25.505 -21.028 1.00 35.32 H new ATOM 1330 N PHE A 587 -0.348 -24.466 -21.086 1.00 12.42 N ATOM 1331 CA PHE A 587 0.434 -24.360 -19.901 1.00 40.24 C ATOM 1332 C PHE A 587 0.070 -23.063 -19.251 1.00 61.43 C ATOM 1333 O PHE A 587 -0.437 -22.160 -19.918 1.00 21.53 O ATOM 1334 CB PHE A 587 1.943 -24.432 -20.189 1.00 60.24 C ATOM 1335 CG PHE A 587 2.509 -23.318 -21.036 1.00 41.41 C ATOM 1336 CD1 PHE A 587 2.456 -23.379 -22.412 1.00 14.11 C ATOM 1337 CD2 PHE A 587 3.120 -22.225 -20.445 1.00 43.02 C ATOM 1338 CE1 PHE A 587 2.995 -22.374 -23.184 1.00 60.31 C ATOM 1339 CE2 PHE A 587 3.663 -21.221 -21.208 1.00 5.42 C ATOM 1340 CZ PHE A 587 3.601 -21.294 -22.583 1.00 52.12 C ATOM 0 H PHE A 587 -0.357 -23.618 -21.652 1.00 12.42 H new ATOM 0 HA PHE A 587 0.221 -25.201 -19.241 1.00 40.24 H new ATOM 0 HB2 PHE A 587 2.474 -24.444 -19.237 1.00 60.24 H new ATOM 0 HB3 PHE A 587 2.154 -25.380 -20.683 1.00 60.24 H new ATOM 0 HD1 PHE A 587 1.986 -24.225 -22.891 1.00 14.11 H new ATOM 0 HD2 PHE A 587 3.170 -22.161 -19.368 1.00 43.02 H new ATOM 0 HE1 PHE A 587 2.942 -22.433 -24.261 1.00 60.31 H new ATOM 0 HE2 PHE A 587 4.138 -20.376 -20.732 1.00 5.42 H new ATOM 0 HZ PHE A 587 4.027 -20.506 -23.187 1.00 52.12 H new ATOM 1350 N SER A 588 0.280 -22.949 -17.998 1.00 25.44 N ATOM 1351 CA SER A 588 -0.051 -21.738 -17.338 1.00 54.34 C ATOM 1352 C SER A 588 1.223 -21.058 -16.887 1.00 31.20 C ATOM 1353 O SER A 588 2.238 -21.698 -16.709 1.00 41.41 O ATOM 1354 CB SER A 588 -0.981 -22.012 -16.164 1.00 43.31 C ATOM 1355 OG SER A 588 -2.058 -22.858 -16.557 1.00 23.52 O ATOM 0 H SER A 588 0.679 -23.675 -17.404 1.00 25.44 H new ATOM 0 HA SER A 588 -0.578 -21.075 -18.023 1.00 54.34 H new ATOM 0 HB2 SER A 588 -0.422 -22.480 -15.354 1.00 43.31 H new ATOM 0 HB3 SER A 588 -1.374 -21.071 -15.778 1.00 43.31 H new ATOM 0 HG SER A 588 -2.642 -23.023 -15.788 1.00 23.52 H new ATOM 1361 N LEU A 589 1.183 -19.793 -16.768 1.00 22.42 N ATOM 1362 CA LEU A 589 2.287 -19.039 -16.305 1.00 45.23 C ATOM 1363 C LEU A 589 1.803 -18.234 -15.139 1.00 53.11 C ATOM 1364 O LEU A 589 0.726 -17.632 -15.206 1.00 32.12 O ATOM 1365 CB LEU A 589 2.802 -18.122 -17.414 1.00 35.25 C ATOM 1366 CG LEU A 589 4.075 -17.343 -17.100 1.00 13.43 C ATOM 1367 CD1 LEU A 589 5.239 -18.267 -16.900 1.00 51.40 C ATOM 1368 CD2 LEU A 589 4.395 -16.385 -18.191 1.00 21.02 C ATOM 0 H LEU A 589 0.362 -19.231 -16.994 1.00 22.42 H new ATOM 0 HA LEU A 589 3.111 -19.689 -16.010 1.00 45.23 H new ATOM 0 HB2 LEU A 589 2.979 -18.726 -18.304 1.00 35.25 H new ATOM 0 HB3 LEU A 589 2.016 -17.409 -17.663 1.00 35.25 H new ATOM 0 HG LEU A 589 3.896 -16.791 -16.177 1.00 13.43 H new ATOM 0 HD11 LEU A 589 6.133 -17.684 -16.678 1.00 51.40 H new ATOM 0 HD12 LEU A 589 5.030 -18.941 -16.069 1.00 51.40 H new ATOM 0 HD13 LEU A 589 5.402 -18.849 -17.807 1.00 51.40 H new ATOM 0 HD21 LEU A 589 5.307 -15.842 -17.943 1.00 21.02 H new ATOM 0 HD22 LEU A 589 4.540 -16.931 -19.123 1.00 21.02 H new ATOM 0 HD23 LEU A 589 3.573 -15.679 -18.308 1.00 21.02 H new ATOM 1380 N VAL A 590 2.530 -18.263 -14.067 1.00 34.13 N ATOM 1381 CA VAL A 590 2.142 -17.545 -12.878 1.00 12.21 C ATOM 1382 C VAL A 590 3.323 -16.772 -12.329 1.00 44.22 C ATOM 1383 O VAL A 590 4.481 -17.079 -12.656 1.00 72.40 O ATOM 1384 CB VAL A 590 1.540 -18.475 -11.775 1.00 41.02 C ATOM 1385 CG1 VAL A 590 0.229 -19.112 -12.240 1.00 42.33 C ATOM 1386 CG2 VAL A 590 2.529 -19.551 -11.369 1.00 21.34 C ATOM 0 H VAL A 590 3.406 -18.780 -13.983 1.00 34.13 H new ATOM 0 HA VAL A 590 1.352 -16.852 -13.168 1.00 12.21 H new ATOM 0 HB VAL A 590 1.329 -17.853 -10.905 1.00 41.02 H new ATOM 0 HG11 VAL A 590 -0.164 -19.753 -11.451 1.00 42.33 H new ATOM 0 HG12 VAL A 590 -0.495 -18.330 -12.467 1.00 42.33 H new ATOM 0 HG13 VAL A 590 0.411 -19.708 -13.134 1.00 42.33 H new ATOM 0 HG21 VAL A 590 2.084 -20.183 -10.601 1.00 21.34 H new ATOM 0 HG22 VAL A 590 2.782 -20.159 -12.238 1.00 21.34 H new ATOM 0 HG23 VAL A 590 3.433 -19.085 -10.977 1.00 21.34 H new ATOM 1396 N LEU A 591 3.034 -15.776 -11.535 1.00 75.41 N ATOM 1397 CA LEU A 591 4.049 -14.937 -10.943 1.00 10.11 C ATOM 1398 C LEU A 591 4.296 -15.367 -9.516 1.00 2.33 C ATOM 1399 O LEU A 591 3.361 -15.798 -8.818 1.00 2.53 O ATOM 1400 CB LEU A 591 3.598 -13.471 -10.952 1.00 21.13 C ATOM 1401 CG LEU A 591 3.386 -12.812 -12.317 1.00 3.51 C ATOM 1402 CD1 LEU A 591 2.721 -11.457 -12.148 1.00 34.15 C ATOM 1403 CD2 LEU A 591 4.716 -12.637 -13.029 1.00 10.44 C ATOM 0 H LEU A 591 2.081 -15.520 -11.277 1.00 75.41 H new ATOM 0 HA LEU A 591 4.966 -15.036 -11.524 1.00 10.11 H new ATOM 0 HB2 LEU A 591 2.664 -13.402 -10.395 1.00 21.13 H new ATOM 0 HB3 LEU A 591 4.339 -12.886 -10.406 1.00 21.13 H new ATOM 0 HG LEU A 591 2.742 -13.457 -12.914 1.00 3.51 H new ATOM 0 HD11 LEU A 591 2.576 -10.998 -13.126 1.00 34.15 H new ATOM 0 HD12 LEU A 591 1.755 -11.584 -11.660 1.00 34.15 H new ATOM 0 HD13 LEU A 591 3.355 -10.814 -11.537 1.00 34.15 H new ATOM 0 HD21 LEU A 591 4.551 -12.167 -13.999 1.00 10.44 H new ATOM 0 HD22 LEU A 591 5.371 -12.007 -12.427 1.00 10.44 H new ATOM 0 HD23 LEU A 591 5.183 -13.611 -13.173 1.00 10.44 H new ATOM 1415 N GLU A 592 5.517 -15.251 -9.093 1.00 33.23 N ATOM 1416 CA GLU A 592 5.909 -15.554 -7.739 1.00 3.51 C ATOM 1417 C GLU A 592 5.936 -14.269 -6.960 1.00 11.11 C ATOM 1418 O GLU A 592 5.946 -13.182 -7.557 1.00 24.14 O ATOM 1419 CB GLU A 592 7.287 -16.213 -7.701 1.00 0.04 C ATOM 1420 CG GLU A 592 7.344 -17.596 -8.327 1.00 14.25 C ATOM 1421 CD GLU A 592 6.573 -18.621 -7.530 1.00 60.45 C ATOM 1422 OE1 GLU A 592 5.347 -18.576 -7.506 1.00 12.21 O ATOM 1423 OE2 GLU A 592 7.188 -19.524 -6.941 1.00 62.02 O ATOM 0 H GLU A 592 6.287 -14.938 -9.684 1.00 33.23 H new ATOM 0 HA GLU A 592 5.195 -16.253 -7.303 1.00 3.51 H new ATOM 0 HB2 GLU A 592 7.999 -15.567 -8.214 1.00 0.04 H new ATOM 0 HB3 GLU A 592 7.613 -16.285 -6.663 1.00 0.04 H new ATOM 0 HG2 GLU A 592 6.943 -17.550 -9.339 1.00 14.25 H new ATOM 0 HG3 GLU A 592 8.384 -17.912 -8.410 1.00 14.25 H new ATOM 1430 N GLU A 593 5.932 -14.381 -5.654 1.00 62.12 N ATOM 1431 CA GLU A 593 5.928 -13.232 -4.777 1.00 64.11 C ATOM 1432 C GLU A 593 7.195 -12.398 -4.985 1.00 62.21 C ATOM 1433 O GLU A 593 8.323 -12.903 -4.847 1.00 62.12 O ATOM 1434 CB GLU A 593 5.780 -13.691 -3.335 1.00 71.42 C ATOM 1435 CG GLU A 593 4.477 -14.437 -3.092 1.00 3.12 C ATOM 1436 CD GLU A 593 4.419 -15.075 -1.742 1.00 55.23 C ATOM 1437 OE1 GLU A 593 5.126 -16.067 -1.527 1.00 61.11 O ATOM 1438 OE2 GLU A 593 3.634 -14.639 -0.880 1.00 22.33 O ATOM 0 H GLU A 593 5.931 -15.276 -5.165 1.00 62.12 H new ATOM 0 HA GLU A 593 5.078 -12.592 -5.016 1.00 64.11 H new ATOM 0 HB2 GLU A 593 6.619 -14.337 -3.075 1.00 71.42 H new ATOM 0 HB3 GLU A 593 5.828 -12.825 -2.675 1.00 71.42 H new ATOM 0 HG2 GLU A 593 3.642 -13.745 -3.198 1.00 3.12 H new ATOM 0 HG3 GLU A 593 4.354 -15.204 -3.857 1.00 3.12 H new ATOM 1445 N PRO A 594 7.027 -11.120 -5.326 1.00 0.34 N ATOM 1446 CA PRO A 594 8.123 -10.251 -5.657 1.00 24.10 C ATOM 1447 C PRO A 594 8.856 -9.719 -4.440 1.00 12.44 C ATOM 1448 O PRO A 594 8.290 -9.562 -3.354 1.00 72.42 O ATOM 1449 CB PRO A 594 7.472 -9.124 -6.443 1.00 33.21 C ATOM 1450 CG PRO A 594 6.073 -9.063 -5.957 1.00 11.43 C ATOM 1451 CD PRO A 594 5.739 -10.419 -5.396 1.00 74.31 C ATOM 0 HA PRO A 594 8.893 -10.781 -6.218 1.00 24.10 H new ATOM 0 HB2 PRO A 594 7.988 -8.179 -6.275 1.00 33.21 H new ATOM 0 HB3 PRO A 594 7.508 -9.321 -7.515 1.00 33.21 H new ATOM 0 HG2 PRO A 594 5.964 -8.293 -5.193 1.00 11.43 H new ATOM 0 HG3 PRO A 594 5.394 -8.805 -6.770 1.00 11.43 H new ATOM 0 HD2 PRO A 594 5.278 -10.338 -4.412 1.00 74.31 H new ATOM 0 HD3 PRO A 594 5.033 -10.949 -6.035 1.00 74.31 H new ATOM 1459 N LYS A 595 10.106 -9.453 -4.634 1.00 72.43 N ATOM 1460 CA LYS A 595 10.971 -8.987 -3.579 1.00 2.24 C ATOM 1461 C LYS A 595 11.585 -7.641 -3.951 1.00 32.42 C ATOM 1462 O LYS A 595 12.119 -7.475 -5.051 1.00 71.00 O ATOM 1463 CB LYS A 595 12.053 -10.058 -3.290 1.00 45.13 C ATOM 1464 CG LYS A 595 12.775 -10.541 -4.544 1.00 40.41 C ATOM 1465 CD LYS A 595 13.715 -11.713 -4.290 1.00 4.14 C ATOM 1466 CE LYS A 595 14.267 -12.211 -5.617 1.00 11.25 C ATOM 1467 NZ LYS A 595 15.151 -13.386 -5.498 1.00 35.11 N ATOM 0 H LYS A 595 10.569 -9.552 -5.537 1.00 72.43 H new ATOM 0 HA LYS A 595 10.393 -8.835 -2.668 1.00 2.24 H new ATOM 0 HB2 LYS A 595 12.784 -9.647 -2.594 1.00 45.13 H new ATOM 0 HB3 LYS A 595 11.587 -10.911 -2.796 1.00 45.13 H new ATOM 0 HG2 LYS A 595 12.036 -10.833 -5.290 1.00 40.41 H new ATOM 0 HG3 LYS A 595 13.345 -9.714 -4.967 1.00 40.41 H new ATOM 0 HD2 LYS A 595 14.531 -11.405 -3.636 1.00 4.14 H new ATOM 0 HD3 LYS A 595 13.184 -12.516 -3.780 1.00 4.14 H new ATOM 0 HE2 LYS A 595 13.434 -12.461 -6.274 1.00 11.25 H new ATOM 0 HE3 LYS A 595 14.818 -11.402 -6.096 1.00 11.25 H new ATOM 0 HZ1 LYS A 595 15.174 -13.897 -6.404 1.00 35.11 H new ATOM 0 HZ2 LYS A 595 16.112 -13.074 -5.252 1.00 35.11 H new ATOM 0 HZ3 LYS A 595 14.791 -14.017 -4.754 1.00 35.11 H new ATOM 1481 N TRP A 596 11.469 -6.685 -3.059 1.00 3.22 N ATOM 1482 CA TRP A 596 12.039 -5.374 -3.252 1.00 41.21 C ATOM 1483 C TRP A 596 13.487 -5.445 -2.816 1.00 42.13 C ATOM 1484 O TRP A 596 13.784 -5.721 -1.654 1.00 11.05 O ATOM 1485 CB TRP A 596 11.264 -4.315 -2.421 1.00 42.54 C ATOM 1486 CG TRP A 596 11.680 -2.860 -2.630 1.00 14.30 C ATOM 1487 CD1 TRP A 596 12.832 -2.388 -3.189 1.00 53.41 C ATOM 1488 CD2 TRP A 596 10.931 -1.701 -2.253 1.00 20.44 C ATOM 1489 NE1 TRP A 596 12.856 -1.021 -3.164 1.00 74.13 N ATOM 1490 CE2 TRP A 596 11.696 -0.571 -2.601 1.00 71.31 C ATOM 1491 CE3 TRP A 596 9.695 -1.513 -1.652 1.00 42.33 C ATOM 1492 CZ2 TRP A 596 11.255 0.728 -2.366 1.00 52.21 C ATOM 1493 CZ3 TRP A 596 9.255 -0.225 -1.420 1.00 55.12 C ATOM 1494 CH2 TRP A 596 10.034 0.881 -1.775 1.00 74.50 C ATOM 0 H TRP A 596 10.974 -6.797 -2.174 1.00 3.22 H new ATOM 0 HA TRP A 596 11.971 -5.075 -4.298 1.00 41.21 H new ATOM 0 HB2 TRP A 596 10.203 -4.405 -2.654 1.00 42.54 H new ATOM 0 HB3 TRP A 596 11.380 -4.556 -1.364 1.00 42.54 H new ATOM 0 HD1 TRP A 596 13.617 -3.009 -3.595 1.00 53.41 H new ATOM 0 HE1 TRP A 596 13.615 -0.434 -3.509 1.00 74.13 H new ATOM 0 HE3 TRP A 596 9.087 -2.360 -1.370 1.00 42.33 H new ATOM 0 HZ2 TRP A 596 11.856 1.582 -2.641 1.00 52.21 H new ATOM 0 HZ3 TRP A 596 8.292 -0.069 -0.956 1.00 55.12 H new ATOM 0 HH2 TRP A 596 9.662 1.876 -1.578 1.00 74.50 H new ATOM 1505 N ILE A 597 14.354 -5.229 -3.733 1.00 11.32 N ATOM 1506 CA ILE A 597 15.757 -5.271 -3.508 1.00 32.14 C ATOM 1507 C ILE A 597 16.213 -3.895 -3.097 1.00 3.30 C ATOM 1508 O ILE A 597 15.888 -2.906 -3.757 1.00 44.12 O ATOM 1509 CB ILE A 597 16.500 -5.673 -4.800 1.00 14.43 C ATOM 1510 CG1 ILE A 597 15.959 -6.982 -5.376 1.00 15.04 C ATOM 1511 CG2 ILE A 597 17.997 -5.747 -4.589 1.00 10.03 C ATOM 1512 CD1 ILE A 597 16.028 -8.183 -4.459 1.00 41.13 C ATOM 0 H ILE A 597 14.102 -5.010 -4.697 1.00 11.32 H new ATOM 0 HA ILE A 597 15.975 -6.004 -2.732 1.00 32.14 H new ATOM 0 HB ILE A 597 16.312 -4.887 -5.531 1.00 14.43 H new ATOM 0 HG12 ILE A 597 14.919 -6.828 -5.664 1.00 15.04 H new ATOM 0 HG13 ILE A 597 16.512 -7.212 -6.287 1.00 15.04 H new ATOM 0 HG21 ILE A 597 18.482 -6.033 -5.522 1.00 10.03 H new ATOM 0 HG22 ILE A 597 18.368 -4.773 -4.271 1.00 10.03 H new ATOM 0 HG23 ILE A 597 18.220 -6.489 -3.822 1.00 10.03 H new ATOM 0 HD11 ILE A 597 15.618 -9.055 -4.969 1.00 41.13 H new ATOM 0 HD12 ILE A 597 17.066 -8.376 -4.189 1.00 41.13 H new ATOM 0 HD13 ILE A 597 15.449 -7.986 -3.557 1.00 41.13 H new ATOM 2107 N ILE A 634 3.640 -6.491 -4.155 1.00 2.23 N ATOM 2108 CA ILE A 634 3.121 -7.814 -4.304 1.00 32.11 C ATOM 2109 C ILE A 634 2.417 -7.946 -5.625 1.00 53.25 C ATOM 2110 O ILE A 634 2.448 -7.059 -6.455 1.00 61.30 O ATOM 2111 CB ILE A 634 2.154 -8.281 -3.151 1.00 32.51 C ATOM 2112 CG1 ILE A 634 0.812 -7.475 -3.076 1.00 71.01 C ATOM 2113 CG2 ILE A 634 2.863 -8.296 -1.799 1.00 22.01 C ATOM 2114 CD1 ILE A 634 0.924 -5.999 -2.722 1.00 22.00 C ATOM 0 HA ILE A 634 3.991 -8.469 -4.252 1.00 32.11 H new ATOM 0 HB ILE A 634 1.871 -9.302 -3.408 1.00 32.51 H new ATOM 0 HG12 ILE A 634 0.311 -7.557 -4.040 1.00 71.01 H new ATOM 0 HG13 ILE A 634 0.167 -7.954 -2.339 1.00 71.01 H new ATOM 0 HG21 ILE A 634 2.167 -8.623 -1.027 1.00 22.01 H new ATOM 0 HG22 ILE A 634 3.709 -8.983 -1.839 1.00 22.01 H new ATOM 0 HG23 ILE A 634 3.220 -7.293 -1.564 1.00 22.01 H new ATOM 0 HD11 ILE A 634 -0.070 -5.553 -2.702 1.00 22.00 H new ATOM 0 HD12 ILE A 634 1.389 -5.894 -1.742 1.00 22.00 H new ATOM 0 HD13 ILE A 634 1.534 -5.491 -3.469 1.00 22.00 H new ATOM 2126 N LEU A 635 1.843 -9.059 -5.838 1.00 64.13 N ATOM 2127 CA LEU A 635 1.136 -9.329 -7.045 1.00 42.34 C ATOM 2128 C LEU A 635 -0.319 -9.091 -6.797 1.00 42.52 C ATOM 2129 O LEU A 635 -0.728 -8.866 -5.647 1.00 21.21 O ATOM 2130 CB LEU A 635 1.320 -10.781 -7.364 1.00 3.05 C ATOM 2131 CG LEU A 635 2.741 -11.261 -7.314 1.00 63.21 C ATOM 2132 CD1 LEU A 635 2.779 -12.733 -7.383 1.00 32.12 C ATOM 2133 CD2 LEU A 635 3.557 -10.656 -8.421 1.00 14.44 C ATOM 0 H LEU A 635 1.844 -9.832 -5.173 1.00 64.13 H new ATOM 0 HA LEU A 635 1.496 -8.698 -7.858 1.00 42.34 H new ATOM 0 HB2 LEU A 635 0.727 -11.370 -6.664 1.00 3.05 H new ATOM 0 HB3 LEU A 635 0.921 -10.973 -8.360 1.00 3.05 H new ATOM 0 HG LEU A 635 3.179 -10.941 -6.368 1.00 63.21 H new ATOM 0 HD11 LEU A 635 3.814 -13.072 -7.346 1.00 32.12 H new ATOM 0 HD12 LEU A 635 2.230 -13.151 -6.539 1.00 32.12 H new ATOM 0 HD13 LEU A 635 2.321 -13.066 -8.315 1.00 32.12 H new ATOM 0 HD21 LEU A 635 4.582 -11.022 -8.359 1.00 14.44 H new ATOM 0 HD22 LEU A 635 3.129 -10.936 -9.383 1.00 14.44 H new ATOM 0 HD23 LEU A 635 3.553 -9.570 -8.324 1.00 14.44 H new ATOM 2145 N GLY A 636 -1.097 -9.111 -7.842 1.00 12.32 N ATOM 2146 CA GLY A 636 -2.509 -9.111 -7.663 1.00 25.41 C ATOM 2147 C GLY A 636 -2.886 -10.461 -7.108 1.00 52.24 C ATOM 2148 O GLY A 636 -2.162 -11.447 -7.354 1.00 11.12 O ATOM 0 H GLY A 636 -0.778 -9.127 -8.811 1.00 12.32 H new ATOM 0 HA2 GLY A 636 -2.811 -8.316 -6.981 1.00 25.41 H new ATOM 0 HA3 GLY A 636 -3.017 -8.928 -8.610 1.00 25.41 H new ATOM 2152 N GLU A 637 -3.951 -10.520 -6.344 1.00 35.33 N ATOM 2153 CA GLU A 637 -4.374 -11.753 -5.682 1.00 13.33 C ATOM 2154 C GLU A 637 -4.513 -12.890 -6.674 1.00 13.11 C ATOM 2155 O GLU A 637 -4.069 -14.017 -6.408 1.00 23.44 O ATOM 2156 CB GLU A 637 -5.682 -11.532 -4.939 1.00 41.21 C ATOM 2157 CG GLU A 637 -6.017 -12.636 -3.958 1.00 54.10 C ATOM 2158 CD GLU A 637 -4.954 -12.786 -2.895 1.00 72.34 C ATOM 2159 OE1 GLU A 637 -4.831 -11.890 -2.028 1.00 30.33 O ATOM 2160 OE2 GLU A 637 -4.220 -13.792 -2.900 1.00 3.33 O ATOM 0 H GLU A 637 -4.556 -9.720 -6.157 1.00 35.33 H new ATOM 0 HA GLU A 637 -3.604 -12.030 -4.963 1.00 13.33 H new ATOM 0 HB2 GLU A 637 -5.630 -10.585 -4.403 1.00 41.21 H new ATOM 0 HB3 GLU A 637 -6.491 -11.444 -5.664 1.00 41.21 H new ATOM 0 HG2 GLU A 637 -6.976 -12.423 -3.485 1.00 54.10 H new ATOM 0 HG3 GLU A 637 -6.129 -13.578 -4.495 1.00 54.10 H new ATOM 2167 N HIS A 638 -5.079 -12.597 -7.817 1.00 54.34 N ATOM 2168 CA HIS A 638 -5.248 -13.598 -8.831 1.00 71.14 C ATOM 2169 C HIS A 638 -4.616 -13.158 -10.125 1.00 44.12 C ATOM 2170 O HIS A 638 -5.147 -12.302 -10.847 1.00 54.13 O ATOM 2171 CB HIS A 638 -6.724 -14.005 -8.996 1.00 2.24 C ATOM 2172 CG HIS A 638 -7.282 -14.555 -7.720 1.00 73.01 C ATOM 2173 ND1 HIS A 638 -6.736 -15.638 -7.073 1.00 73.00 N ATOM 2174 CD2 HIS A 638 -8.240 -14.074 -6.901 1.00 73.14 C ATOM 2175 CE1 HIS A 638 -7.338 -15.772 -5.903 1.00 44.30 C ATOM 2176 NE2 HIS A 638 -8.275 -14.850 -5.743 1.00 11.30 N ATOM 0 H HIS A 638 -5.430 -11.672 -8.066 1.00 54.34 H new ATOM 0 HA HIS A 638 -4.725 -14.499 -8.509 1.00 71.14 H new ATOM 0 HB2 HIS A 638 -7.309 -13.140 -9.309 1.00 2.24 H new ATOM 0 HB3 HIS A 638 -6.812 -14.751 -9.785 1.00 2.24 H new ATOM 0 HD2 HIS A 638 -8.876 -13.226 -7.108 1.00 73.14 H new ATOM 0 HE1 HIS A 638 -7.097 -16.532 -5.175 1.00 44.30 H new ATOM 0 HE2 HIS A 638 -8.893 -14.732 -4.940 1.00 11.30 H new ATOM 2184 N THR A 639 -3.450 -13.682 -10.377 1.00 51.53 N ATOM 2185 CA THR A 639 -2.722 -13.388 -11.562 1.00 52.32 C ATOM 2186 C THR A 639 -2.141 -14.689 -12.141 1.00 53.50 C ATOM 2187 O THR A 639 -1.246 -15.330 -11.564 1.00 21.33 O ATOM 2188 CB THR A 639 -1.620 -12.287 -11.303 1.00 30.32 C ATOM 2189 OG1 THR A 639 -0.869 -12.008 -12.491 1.00 34.02 O ATOM 2190 CG2 THR A 639 -0.664 -12.674 -10.171 1.00 74.05 C ATOM 0 H THR A 639 -2.978 -14.334 -9.751 1.00 51.53 H new ATOM 0 HA THR A 639 -3.396 -12.963 -12.305 1.00 52.32 H new ATOM 0 HB THR A 639 -2.157 -11.388 -11.001 1.00 30.32 H new ATOM 0 HG1 THR A 639 -0.440 -12.830 -12.807 1.00 34.02 H new ATOM 0 HG21 THR A 639 0.074 -11.884 -10.033 1.00 74.05 H new ATOM 0 HG22 THR A 639 -1.228 -12.809 -9.248 1.00 74.05 H new ATOM 0 HG23 THR A 639 -0.157 -13.605 -10.425 1.00 74.05 H new ATOM 2198 N LYS A 640 -2.691 -15.086 -13.244 1.00 64.42 N ATOM 2199 CA LYS A 640 -2.305 -16.278 -13.935 1.00 31.34 C ATOM 2200 C LYS A 640 -2.477 -16.031 -15.414 1.00 72.12 C ATOM 2201 O LYS A 640 -3.343 -15.251 -15.813 1.00 20.10 O ATOM 2202 CB LYS A 640 -3.213 -17.443 -13.526 1.00 24.33 C ATOM 2203 CG LYS A 640 -2.847 -18.767 -14.186 1.00 0.02 C ATOM 2204 CD LYS A 640 -3.944 -19.794 -14.054 1.00 71.41 C ATOM 2205 CE LYS A 640 -4.257 -20.152 -12.614 1.00 72.52 C ATOM 2206 NZ LYS A 640 -5.388 -21.094 -12.539 1.00 23.54 N ATOM 0 H LYS A 640 -3.444 -14.575 -13.704 1.00 64.42 H new ATOM 0 HA LYS A 640 -1.272 -16.528 -13.692 1.00 31.34 H new ATOM 0 HB2 LYS A 640 -3.170 -17.563 -12.443 1.00 24.33 H new ATOM 0 HB3 LYS A 640 -4.244 -17.194 -13.778 1.00 24.33 H new ATOM 0 HG2 LYS A 640 -2.635 -18.598 -15.242 1.00 0.02 H new ATOM 0 HG3 LYS A 640 -1.933 -19.155 -13.736 1.00 0.02 H new ATOM 0 HD2 LYS A 640 -4.847 -19.415 -14.532 1.00 71.41 H new ATOM 0 HD3 LYS A 640 -3.654 -20.697 -14.591 1.00 71.41 H new ATOM 0 HE2 LYS A 640 -3.378 -20.595 -12.146 1.00 72.52 H new ATOM 0 HE3 LYS A 640 -4.494 -19.248 -12.054 1.00 72.52 H new ATOM 0 HZ1 LYS A 640 -5.583 -21.324 -11.544 1.00 23.54 H new ATOM 0 HZ2 LYS A 640 -6.231 -20.659 -12.965 1.00 23.54 H new ATOM 0 HZ3 LYS A 640 -5.149 -21.965 -13.055 1.00 23.54 H new ATOM 2220 N LEU A 641 -1.670 -16.649 -16.202 1.00 44.34 N ATOM 2221 CA LEU A 641 -1.802 -16.574 -17.616 1.00 50.45 C ATOM 2222 C LEU A 641 -1.785 -17.964 -18.195 1.00 13.14 C ATOM 2223 O LEU A 641 -0.794 -18.658 -18.099 1.00 13.24 O ATOM 2224 CB LEU A 641 -0.667 -15.765 -18.213 1.00 21.13 C ATOM 2225 CG LEU A 641 -0.657 -15.670 -19.732 1.00 42.25 C ATOM 2226 CD1 LEU A 641 -1.842 -14.870 -20.240 1.00 43.41 C ATOM 2227 CD2 LEU A 641 0.639 -15.088 -20.219 1.00 1.42 C ATOM 0 H LEU A 641 -0.892 -17.226 -15.882 1.00 44.34 H new ATOM 0 HA LEU A 641 -2.746 -16.084 -17.855 1.00 50.45 H new ATOM 0 HB2 LEU A 641 -0.709 -14.756 -17.804 1.00 21.13 H new ATOM 0 HB3 LEU A 641 0.277 -16.202 -17.888 1.00 21.13 H new ATOM 0 HG LEU A 641 -0.746 -16.679 -20.133 1.00 42.25 H new ATOM 0 HD11 LEU A 641 -1.807 -14.820 -21.328 1.00 43.41 H new ATOM 0 HD12 LEU A 641 -2.768 -15.353 -19.928 1.00 43.41 H new ATOM 0 HD13 LEU A 641 -1.803 -13.861 -19.829 1.00 43.41 H new ATOM 0 HD21 LEU A 641 0.625 -15.029 -21.307 1.00 1.42 H new ATOM 0 HD22 LEU A 641 0.768 -14.089 -19.803 1.00 1.42 H new ATOM 0 HD23 LEU A 641 1.466 -15.723 -19.901 1.00 1.42 H new ATOM 2239 N GLU A 642 -2.873 -18.387 -18.736 1.00 14.12 N ATOM 2240 CA GLU A 642 -2.889 -19.641 -19.426 1.00 60.15 C ATOM 2241 C GLU A 642 -2.533 -19.403 -20.857 1.00 33.30 C ATOM 2242 O GLU A 642 -3.103 -18.531 -21.509 1.00 70.31 O ATOM 2243 CB GLU A 642 -4.224 -20.338 -19.334 1.00 72.03 C ATOM 2244 CG GLU A 642 -4.562 -20.864 -17.964 1.00 24.11 C ATOM 2245 CD GLU A 642 -5.885 -21.567 -17.957 1.00 22.34 C ATOM 2246 OE1 GLU A 642 -6.928 -20.891 -17.758 1.00 61.24 O ATOM 2247 OE2 GLU A 642 -5.920 -22.806 -18.146 1.00 51.01 O ATOM 0 H GLU A 642 -3.764 -17.890 -18.718 1.00 14.12 H new ATOM 0 HA GLU A 642 -2.161 -20.298 -18.950 1.00 60.15 H new ATOM 0 HB2 GLU A 642 -5.004 -19.643 -19.645 1.00 72.03 H new ATOM 0 HB3 GLU A 642 -4.236 -21.168 -20.041 1.00 72.03 H new ATOM 0 HG2 GLU A 642 -3.782 -21.550 -17.634 1.00 24.11 H new ATOM 0 HG3 GLU A 642 -4.583 -20.039 -17.251 1.00 24.11 H new ATOM 2254 N VAL A 643 -1.586 -20.131 -21.321 1.00 32.14 N ATOM 2255 CA VAL A 643 -1.126 -20.013 -22.678 1.00 35.45 C ATOM 2256 C VAL A 643 -1.509 -21.267 -23.418 1.00 55.15 C ATOM 2257 O VAL A 643 -1.132 -22.374 -23.023 1.00 64.21 O ATOM 2258 CB VAL A 643 0.405 -19.794 -22.756 1.00 64.00 C ATOM 2259 CG1 VAL A 643 0.850 -19.541 -24.185 1.00 22.10 C ATOM 2260 CG2 VAL A 643 0.853 -18.659 -21.840 1.00 71.21 C ATOM 0 H VAL A 643 -1.095 -20.837 -20.773 1.00 32.14 H new ATOM 0 HA VAL A 643 -1.594 -19.139 -23.132 1.00 35.45 H new ATOM 0 HB VAL A 643 0.884 -20.710 -22.410 1.00 64.00 H new ATOM 0 HG11 VAL A 643 1.929 -19.391 -24.209 1.00 22.10 H new ATOM 0 HG12 VAL A 643 0.589 -20.399 -24.805 1.00 22.10 H new ATOM 0 HG13 VAL A 643 0.351 -18.651 -24.569 1.00 22.10 H new ATOM 0 HG21 VAL A 643 1.933 -18.532 -21.919 1.00 71.21 H new ATOM 0 HG22 VAL A 643 0.356 -17.735 -22.136 1.00 71.21 H new ATOM 0 HG23 VAL A 643 0.590 -18.898 -20.809 1.00 71.21 H new ATOM 2270 N ILE A 644 -2.280 -21.092 -24.455 1.00 60.02 N ATOM 2271 CA ILE A 644 -2.797 -22.193 -25.211 1.00 35.35 C ATOM 2272 C ILE A 644 -2.163 -22.246 -26.591 1.00 4.42 C ATOM 2273 O ILE A 644 -2.024 -21.210 -27.266 1.00 5.33 O ATOM 2274 CB ILE A 644 -4.355 -22.127 -25.364 1.00 5.13 C ATOM 2275 CG1 ILE A 644 -5.072 -22.164 -24.001 1.00 63.52 C ATOM 2276 CG2 ILE A 644 -4.872 -23.270 -26.240 1.00 3.41 C ATOM 2277 CD1 ILE A 644 -5.035 -20.889 -23.194 1.00 35.25 C ATOM 0 H ILE A 644 -2.568 -20.176 -24.799 1.00 60.02 H new ATOM 0 HA ILE A 644 -2.546 -23.096 -24.655 1.00 35.35 H new ATOM 0 HB ILE A 644 -4.579 -21.174 -25.844 1.00 5.13 H new ATOM 0 HG12 ILE A 644 -6.115 -22.433 -24.170 1.00 63.52 H new ATOM 0 HG13 ILE A 644 -4.630 -22.961 -23.403 1.00 63.52 H new ATOM 0 HG21 ILE A 644 -5.956 -23.199 -26.329 1.00 3.41 H new ATOM 0 HG22 ILE A 644 -4.422 -23.202 -27.230 1.00 3.41 H new ATOM 0 HG23 ILE A 644 -4.607 -24.225 -25.786 1.00 3.41 H new ATOM 0 HD11 ILE A 644 -5.571 -21.036 -22.257 1.00 35.25 H new ATOM 0 HD12 ILE A 644 -4.000 -20.623 -22.982 1.00 35.25 H new ATOM 0 HD13 ILE A 644 -5.507 -20.086 -23.760 1.00 35.25 H new ATOM 2289 N ILE A 645 -1.770 -23.432 -26.970 1.00 41.24 N ATOM 2290 CA ILE A 645 -1.226 -23.741 -28.261 1.00 21.24 C ATOM 2291 C ILE A 645 -1.970 -24.920 -28.856 1.00 5.41 C ATOM 2292 O ILE A 645 -2.717 -25.615 -28.151 1.00 61.13 O ATOM 2293 CB ILE A 645 0.313 -23.989 -28.289 1.00 14.41 C ATOM 2294 CG1 ILE A 645 0.852 -24.732 -27.029 1.00 32.33 C ATOM 2295 CG2 ILE A 645 1.055 -22.699 -28.536 1.00 24.01 C ATOM 2296 CD1 ILE A 645 1.047 -23.877 -25.776 1.00 63.35 C ATOM 0 H ILE A 645 -1.824 -24.246 -26.357 1.00 41.24 H new ATOM 0 HA ILE A 645 -1.371 -22.847 -28.867 1.00 21.24 H new ATOM 0 HB ILE A 645 0.501 -24.666 -29.123 1.00 14.41 H new ATOM 0 HG12 ILE A 645 0.164 -25.542 -26.788 1.00 32.33 H new ATOM 0 HG13 ILE A 645 1.808 -25.191 -27.284 1.00 32.33 H new ATOM 0 HG21 ILE A 645 2.127 -22.893 -28.552 1.00 24.01 H new ATOM 0 HG22 ILE A 645 0.748 -22.280 -29.494 1.00 24.01 H new ATOM 0 HG23 ILE A 645 0.827 -21.990 -27.740 1.00 24.01 H new ATOM 0 HD11 ILE A 645 1.425 -24.500 -24.965 1.00 63.35 H new ATOM 0 HD12 ILE A 645 1.762 -23.082 -25.986 1.00 63.35 H new ATOM 0 HD13 ILE A 645 0.093 -23.439 -25.482 1.00 63.35 H new