USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 539 TYR OH : rot -2:sc= 0.392 USER MOD Set 1.2: A 556 THR OG1 : rot 171:sc= 0.369 USER MOD Set 2.1: A 506 THR OG1 : rot 31:sc= 0.17 USER MOD Set 2.2: A 639 THR OG1 : rot -78:sc= 1.77 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=-0.11) USER MOD Single : A 515 SER OG : rot 32:sc= 1.93 USER MOD Single : A 517 SER OG : rot 72:sc= 1.25 USER MOD Single : A 521 MET CE :methyl -139:sc= -0.118 (180deg=-1.66) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -0.883 K(o=-0.88,f=-2.3!) USER MOD Single : A 540 LYS NZ :NH3+ -149:sc= 1.26 (180deg=1.11) USER MOD Single : A 541 THR OG1 : rot 50:sc= 0.506 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0.993 USER MOD Single : A 557 CYS SG : rot 180:sc= 0.00255 USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 ASN : amide:sc= -0.0803 K(o=-0.08,f=-3.3!) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 THR OG1 : rot 41:sc= 0.318 USER MOD Single : A 585 CYS SG : rot 19:sc= -0.482! USER MOD Single : A 586 SER OG : rot 180:sc= -0.528 USER MOD Single : A 588 SER OG : rot 180:sc= -1.11 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 HIS :FLIP no HD1:sc= -0.145 F(o=-0.73,f=-0.15) USER MOD Single : A 640 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 4.189 -1.827 -5.331 1.00 3.44 N ATOM 29 CA GLY A 503 4.163 -2.524 -6.568 1.00 21.23 C ATOM 30 C GLY A 503 3.166 -3.641 -6.549 1.00 51.13 C ATOM 31 O GLY A 503 3.109 -4.387 -5.589 1.00 75.21 O ATOM 0 HA2 GLY A 503 3.918 -1.830 -7.372 1.00 21.23 H new ATOM 0 HA3 GLY A 503 5.154 -2.924 -6.782 1.00 21.23 H new ATOM 35 N ILE A 504 2.309 -3.671 -7.546 1.00 72.14 N ATOM 36 CA ILE A 504 1.384 -4.772 -7.769 1.00 41.32 C ATOM 37 C ILE A 504 1.551 -5.196 -9.202 1.00 13.03 C ATOM 38 O ILE A 504 1.379 -4.377 -10.114 1.00 1.12 O ATOM 39 CB ILE A 504 -0.113 -4.428 -7.511 1.00 52.42 C ATOM 40 CG1 ILE A 504 -0.359 -4.064 -6.048 1.00 63.22 C ATOM 41 CG2 ILE A 504 -1.017 -5.603 -7.918 1.00 62.13 C ATOM 42 CD1 ILE A 504 -1.805 -3.721 -5.758 1.00 64.52 C ATOM 0 H ILE A 504 2.230 -2.924 -8.236 1.00 72.14 H new ATOM 0 HA ILE A 504 1.626 -5.557 -7.053 1.00 41.32 H new ATOM 0 HB ILE A 504 -0.359 -3.561 -8.123 1.00 52.42 H new ATOM 0 HG12 ILE A 504 -0.056 -4.899 -5.416 1.00 63.22 H new ATOM 0 HG13 ILE A 504 0.271 -3.216 -5.780 1.00 63.22 H new ATOM 0 HG21 ILE A 504 -2.059 -5.343 -7.730 1.00 62.13 H new ATOM 0 HG22 ILE A 504 -0.882 -5.816 -8.978 1.00 62.13 H new ATOM 0 HG23 ILE A 504 -0.752 -6.485 -7.335 1.00 62.13 H new ATOM 0 HD11 ILE A 504 -1.915 -3.472 -4.703 1.00 64.52 H new ATOM 0 HD12 ILE A 504 -2.105 -2.868 -6.366 1.00 64.52 H new ATOM 0 HD13 ILE A 504 -2.437 -4.577 -5.996 1.00 64.52 H new ATOM 54 N PHE A 505 1.896 -6.428 -9.403 1.00 61.31 N ATOM 55 CA PHE A 505 2.178 -6.928 -10.717 1.00 23.01 C ATOM 56 C PHE A 505 1.099 -7.900 -11.146 1.00 73.23 C ATOM 57 O PHE A 505 0.656 -8.735 -10.352 1.00 12.11 O ATOM 58 CB PHE A 505 3.563 -7.581 -10.709 1.00 64.13 C ATOM 59 CG PHE A 505 4.610 -6.657 -10.140 1.00 62.24 C ATOM 60 CD1 PHE A 505 5.191 -5.677 -10.925 1.00 40.34 C ATOM 61 CD2 PHE A 505 4.980 -6.747 -8.802 1.00 53.02 C ATOM 62 CE1 PHE A 505 6.121 -4.805 -10.390 1.00 24.22 C ATOM 63 CE2 PHE A 505 5.911 -5.882 -8.266 1.00 72.15 C ATOM 64 CZ PHE A 505 6.482 -4.908 -9.061 1.00 61.11 C ATOM 0 H PHE A 505 1.991 -7.120 -8.660 1.00 61.31 H new ATOM 0 HA PHE A 505 2.183 -6.113 -11.440 1.00 23.01 H new ATOM 0 HB2 PHE A 505 3.530 -8.499 -10.122 1.00 64.13 H new ATOM 0 HB3 PHE A 505 3.839 -7.862 -11.725 1.00 64.13 H new ATOM 0 HD1 PHE A 505 4.915 -5.592 -11.966 1.00 40.34 H new ATOM 0 HD2 PHE A 505 4.532 -7.504 -8.175 1.00 53.02 H new ATOM 0 HE1 PHE A 505 6.566 -4.042 -11.012 1.00 24.22 H new ATOM 0 HE2 PHE A 505 6.193 -5.966 -7.227 1.00 72.15 H new ATOM 0 HZ PHE A 505 7.210 -4.228 -8.644 1.00 61.11 H new ATOM 74 N THR A 506 0.638 -7.752 -12.357 1.00 13.34 N ATOM 75 CA THR A 506 -0.393 -8.601 -12.889 1.00 55.44 C ATOM 76 C THR A 506 -0.212 -8.778 -14.393 1.00 72.43 C ATOM 77 O THR A 506 0.372 -7.923 -15.062 1.00 64.12 O ATOM 78 CB THR A 506 -1.817 -8.011 -12.585 1.00 61.21 C ATOM 79 OG1 THR A 506 -2.855 -8.831 -13.163 1.00 14.25 O ATOM 80 CG2 THR A 506 -1.952 -6.581 -13.107 1.00 0.43 C ATOM 0 H THR A 506 0.968 -7.037 -13.005 1.00 13.34 H new ATOM 0 HA THR A 506 -0.312 -9.574 -12.405 1.00 55.44 H new ATOM 0 HB THR A 506 -1.932 -8.002 -11.501 1.00 61.21 H new ATOM 0 HG1 THR A 506 -2.559 -9.765 -13.186 1.00 14.25 H new ATOM 0 HG21 THR A 506 -2.949 -6.203 -12.880 1.00 0.43 H new ATOM 0 HG22 THR A 506 -1.206 -5.947 -12.628 1.00 0.43 H new ATOM 0 HG23 THR A 506 -1.797 -6.571 -14.186 1.00 0.43 H new ATOM 88 N PHE A 507 -0.680 -9.889 -14.904 1.00 61.35 N ATOM 89 CA PHE A 507 -0.696 -10.130 -16.329 1.00 25.33 C ATOM 90 C PHE A 507 -1.795 -9.297 -16.954 1.00 73.32 C ATOM 91 O PHE A 507 -2.744 -8.858 -16.248 1.00 0.23 O ATOM 92 CB PHE A 507 -0.941 -11.607 -16.648 1.00 40.51 C ATOM 93 CG PHE A 507 0.124 -12.533 -16.162 1.00 5.44 C ATOM 94 CD1 PHE A 507 1.350 -12.576 -16.784 1.00 71.51 C ATOM 95 CD2 PHE A 507 -0.101 -13.356 -15.088 1.00 75.11 C ATOM 96 CE1 PHE A 507 2.334 -13.429 -16.341 1.00 41.34 C ATOM 97 CE2 PHE A 507 0.871 -14.208 -14.639 1.00 23.00 C ATOM 98 CZ PHE A 507 2.093 -14.248 -15.267 1.00 23.11 C ATOM 0 H PHE A 507 -1.061 -10.653 -14.346 1.00 61.35 H new ATOM 0 HA PHE A 507 0.277 -9.854 -16.735 1.00 25.33 H new ATOM 0 HB2 PHE A 507 -1.893 -11.907 -16.209 1.00 40.51 H new ATOM 0 HB3 PHE A 507 -1.038 -11.721 -17.728 1.00 40.51 H new ATOM 0 HD1 PHE A 507 1.542 -11.933 -17.630 1.00 71.51 H new ATOM 0 HD2 PHE A 507 -1.059 -13.331 -14.590 1.00 75.11 H new ATOM 0 HE1 PHE A 507 3.293 -13.454 -16.837 1.00 41.34 H new ATOM 0 HE2 PHE A 507 0.678 -14.849 -13.791 1.00 23.00 H new ATOM 0 HZ PHE A 507 2.861 -14.922 -14.916 1.00 23.11 H new ATOM 108 N GLU A 508 -1.683 -9.079 -18.244 1.00 30.41 N ATOM 109 CA GLU A 508 -2.652 -8.303 -18.994 1.00 63.40 C ATOM 110 C GLU A 508 -3.982 -9.022 -19.001 1.00 43.23 C ATOM 111 O GLU A 508 -5.011 -8.457 -18.648 1.00 0.00 O ATOM 112 CB GLU A 508 -2.193 -8.155 -20.428 1.00 15.31 C ATOM 113 CG GLU A 508 -0.816 -7.565 -20.591 1.00 30.43 C ATOM 114 CD GLU A 508 -0.341 -7.674 -22.004 1.00 3.32 C ATOM 115 OE1 GLU A 508 0.245 -8.731 -22.369 1.00 20.23 O ATOM 116 OE2 GLU A 508 -0.569 -6.731 -22.789 1.00 31.41 O ATOM 0 H GLU A 508 -0.913 -9.436 -18.809 1.00 30.41 H new ATOM 0 HA GLU A 508 -2.751 -7.323 -18.527 1.00 63.40 H new ATOM 0 HB2 GLU A 508 -2.212 -9.135 -20.904 1.00 15.31 H new ATOM 0 HB3 GLU A 508 -2.908 -7.528 -20.961 1.00 15.31 H new ATOM 0 HG2 GLU A 508 -0.829 -6.518 -20.289 1.00 30.43 H new ATOM 0 HG3 GLU A 508 -0.118 -8.078 -19.930 1.00 30.43 H new ATOM 123 N GLU A 509 -3.936 -10.272 -19.383 1.00 11.51 N ATOM 124 CA GLU A 509 -5.111 -11.096 -19.495 1.00 52.04 C ATOM 125 C GLU A 509 -4.896 -12.374 -18.712 1.00 43.42 C ATOM 126 O GLU A 509 -3.762 -12.686 -18.360 1.00 3.34 O ATOM 127 CB GLU A 509 -5.390 -11.417 -20.972 1.00 13.22 C ATOM 128 CG GLU A 509 -5.727 -10.200 -21.808 1.00 45.40 C ATOM 129 CD GLU A 509 -6.085 -10.547 -23.220 1.00 73.31 C ATOM 130 OE1 GLU A 509 -7.243 -10.940 -23.474 1.00 44.44 O ATOM 131 OE2 GLU A 509 -5.235 -10.395 -24.111 1.00 72.10 O ATOM 0 H GLU A 509 -3.070 -10.752 -19.628 1.00 11.51 H new ATOM 0 HA GLU A 509 -5.971 -10.564 -19.090 1.00 52.04 H new ATOM 0 HB2 GLU A 509 -4.516 -11.909 -21.399 1.00 13.22 H new ATOM 0 HB3 GLU A 509 -6.215 -12.127 -21.030 1.00 13.22 H new ATOM 0 HG2 GLU A 509 -6.559 -9.668 -21.347 1.00 45.40 H new ATOM 0 HG3 GLU A 509 -4.876 -9.520 -21.811 1.00 45.40 H new ATOM 138 N PRO A 510 -5.964 -13.105 -18.367 1.00 10.22 N ATOM 139 CA PRO A 510 -5.826 -14.379 -17.687 1.00 31.44 C ATOM 140 C PRO A 510 -5.591 -15.543 -18.664 1.00 34.43 C ATOM 141 O PRO A 510 -5.072 -16.580 -18.288 1.00 15.30 O ATOM 142 CB PRO A 510 -7.164 -14.536 -16.962 1.00 12.12 C ATOM 143 CG PRO A 510 -8.152 -13.795 -17.800 1.00 5.14 C ATOM 144 CD PRO A 510 -7.390 -12.713 -18.527 1.00 13.14 C ATOM 0 HA PRO A 510 -4.963 -14.399 -17.021 1.00 31.44 H new ATOM 0 HB2 PRO A 510 -7.439 -15.586 -16.865 1.00 12.12 H new ATOM 0 HB3 PRO A 510 -7.116 -14.125 -15.954 1.00 12.12 H new ATOM 0 HG2 PRO A 510 -8.638 -14.467 -18.508 1.00 5.14 H new ATOM 0 HG3 PRO A 510 -8.937 -13.363 -17.179 1.00 5.14 H new ATOM 0 HD2 PRO A 510 -7.674 -12.663 -19.578 1.00 13.14 H new ATOM 0 HD3 PRO A 510 -7.584 -11.731 -18.097 1.00 13.14 H new ATOM 152 N VAL A 511 -5.957 -15.352 -19.919 1.00 64.14 N ATOM 153 CA VAL A 511 -5.854 -16.397 -20.932 1.00 73.13 C ATOM 154 C VAL A 511 -5.412 -15.787 -22.253 1.00 2.35 C ATOM 155 O VAL A 511 -5.908 -14.731 -22.637 1.00 73.04 O ATOM 156 CB VAL A 511 -7.228 -17.136 -21.129 1.00 12.50 C ATOM 157 CG1 VAL A 511 -7.182 -18.096 -22.295 1.00 5.05 C ATOM 158 CG2 VAL A 511 -7.620 -17.897 -19.879 1.00 74.33 C ATOM 0 H VAL A 511 -6.334 -14.471 -20.268 1.00 64.14 H new ATOM 0 HA VAL A 511 -5.118 -17.126 -20.594 1.00 73.13 H new ATOM 0 HB VAL A 511 -7.972 -16.366 -21.335 1.00 12.50 H new ATOM 0 HG11 VAL A 511 -8.149 -18.588 -22.400 1.00 5.05 H new ATOM 0 HG12 VAL A 511 -6.953 -17.548 -23.209 1.00 5.05 H new ATOM 0 HG13 VAL A 511 -6.411 -18.846 -22.119 1.00 5.05 H new ATOM 0 HG21 VAL A 511 -8.574 -18.399 -20.043 1.00 74.33 H new ATOM 0 HG22 VAL A 511 -6.855 -18.638 -19.649 1.00 74.33 H new ATOM 0 HG23 VAL A 511 -7.714 -17.202 -19.044 1.00 74.33 H new ATOM 168 N THR A 512 -4.474 -16.416 -22.914 1.00 33.11 N ATOM 169 CA THR A 512 -4.020 -15.970 -24.203 1.00 61.11 C ATOM 170 C THR A 512 -3.930 -17.171 -25.162 1.00 73.31 C ATOM 171 O THR A 512 -3.520 -18.276 -24.767 1.00 52.30 O ATOM 172 CB THR A 512 -2.650 -15.200 -24.112 1.00 12.20 C ATOM 173 OG1 THR A 512 -2.305 -14.610 -25.376 1.00 22.43 O ATOM 174 CG2 THR A 512 -1.516 -16.110 -23.666 1.00 41.10 C ATOM 0 H THR A 512 -4.004 -17.254 -22.571 1.00 33.11 H new ATOM 0 HA THR A 512 -4.746 -15.258 -24.596 1.00 61.11 H new ATOM 0 HB THR A 512 -2.784 -14.416 -23.366 1.00 12.20 H new ATOM 0 HG1 THR A 512 -1.451 -14.136 -25.294 1.00 22.43 H new ATOM 0 HG21 THR A 512 -0.589 -15.539 -23.617 1.00 41.10 H new ATOM 0 HG22 THR A 512 -1.743 -16.519 -22.681 1.00 41.10 H new ATOM 0 HG23 THR A 512 -1.402 -16.926 -24.380 1.00 41.10 H new ATOM 182 N HIS A 513 -4.360 -16.978 -26.382 1.00 71.21 N ATOM 183 CA HIS A 513 -4.292 -18.014 -27.387 1.00 61.52 C ATOM 184 C HIS A 513 -3.269 -17.597 -28.413 1.00 4.14 C ATOM 185 O HIS A 513 -3.395 -16.529 -29.022 1.00 72.14 O ATOM 186 CB HIS A 513 -5.666 -18.254 -28.057 1.00 14.31 C ATOM 187 CG HIS A 513 -6.747 -18.763 -27.126 1.00 54.02 C ATOM 188 ND1 HIS A 513 -7.128 -20.087 -27.033 1.00 74.24 N ATOM 189 CD2 HIS A 513 -7.542 -18.089 -26.257 1.00 2.13 C ATOM 190 CE1 HIS A 513 -8.115 -20.173 -26.134 1.00 45.32 C ATOM 191 NE2 HIS A 513 -8.405 -18.988 -25.632 1.00 54.03 N ATOM 0 H HIS A 513 -4.767 -16.102 -26.709 1.00 71.21 H new ATOM 0 HA HIS A 513 -4.004 -18.955 -26.918 1.00 61.52 H new ATOM 0 HB2 HIS A 513 -6.003 -17.320 -28.506 1.00 14.31 H new ATOM 0 HB3 HIS A 513 -5.538 -18.970 -28.869 1.00 14.31 H new ATOM 0 HD2 HIS A 513 -7.511 -17.024 -26.078 1.00 2.13 H new ATOM 0 HE1 HIS A 513 -8.609 -21.092 -25.856 1.00 45.32 H new ATOM 0 HE2 HIS A 513 -9.114 -18.774 -24.931 1.00 54.03 H new ATOM 199 N VAL A 514 -2.239 -18.391 -28.567 1.00 61.23 N ATOM 200 CA VAL A 514 -1.161 -18.093 -29.488 1.00 35.44 C ATOM 201 C VAL A 514 -0.925 -19.271 -30.429 1.00 51.21 C ATOM 202 O VAL A 514 -1.501 -20.356 -30.249 1.00 33.25 O ATOM 203 CB VAL A 514 0.170 -17.695 -28.756 1.00 31.50 C ATOM 204 CG1 VAL A 514 0.013 -16.394 -27.980 1.00 70.31 C ATOM 205 CG2 VAL A 514 0.630 -18.791 -27.821 1.00 1.22 C ATOM 0 H VAL A 514 -2.120 -19.266 -28.057 1.00 61.23 H new ATOM 0 HA VAL A 514 -1.471 -17.225 -30.070 1.00 35.44 H new ATOM 0 HB VAL A 514 0.925 -17.550 -29.529 1.00 31.50 H new ATOM 0 HG11 VAL A 514 0.953 -16.149 -27.486 1.00 70.31 H new ATOM 0 HG12 VAL A 514 -0.256 -15.591 -28.666 1.00 70.31 H new ATOM 0 HG13 VAL A 514 -0.771 -16.509 -27.231 1.00 70.31 H new ATOM 0 HG21 VAL A 514 1.554 -18.486 -27.329 1.00 1.22 H new ATOM 0 HG22 VAL A 514 -0.138 -18.974 -27.069 1.00 1.22 H new ATOM 0 HG23 VAL A 514 0.806 -19.704 -28.390 1.00 1.22 H new ATOM 215 N SER A 515 -0.111 -19.053 -31.418 1.00 31.21 N ATOM 216 CA SER A 515 0.182 -20.037 -32.422 1.00 23.23 C ATOM 217 C SER A 515 1.358 -20.911 -32.011 1.00 34.12 C ATOM 218 O SER A 515 2.178 -20.535 -31.186 1.00 33.21 O ATOM 219 CB SER A 515 0.516 -19.306 -33.737 1.00 22.32 C ATOM 220 OG SER A 515 0.920 -20.195 -34.792 1.00 3.52 O ATOM 0 H SER A 515 0.379 -18.169 -31.554 1.00 31.21 H new ATOM 0 HA SER A 515 -0.686 -20.684 -32.550 1.00 23.23 H new ATOM 0 HB2 SER A 515 -0.357 -18.740 -34.062 1.00 22.32 H new ATOM 0 HB3 SER A 515 1.313 -18.586 -33.552 1.00 22.32 H new ATOM 0 HG SER A 515 0.454 -21.052 -34.694 1.00 3.52 H new ATOM 226 N GLU A 516 1.429 -22.059 -32.614 1.00 63.04 N ATOM 227 CA GLU A 516 2.547 -22.961 -32.479 1.00 12.53 C ATOM 228 C GLU A 516 3.674 -22.555 -33.438 1.00 41.14 C ATOM 229 O GLU A 516 4.774 -23.089 -33.382 1.00 44.42 O ATOM 230 CB GLU A 516 2.124 -24.435 -32.711 1.00 2.31 C ATOM 231 CG GLU A 516 0.930 -24.652 -33.662 1.00 10.10 C ATOM 232 CD GLU A 516 0.997 -23.867 -34.952 1.00 30.54 C ATOM 233 OE1 GLU A 516 1.724 -24.255 -35.869 1.00 3.52 O ATOM 234 OE2 GLU A 516 0.309 -22.822 -35.040 1.00 43.51 O ATOM 0 H GLU A 516 0.696 -22.409 -33.231 1.00 63.04 H new ATOM 0 HA GLU A 516 2.916 -22.890 -31.456 1.00 12.53 H new ATOM 0 HB2 GLU A 516 2.981 -24.981 -33.105 1.00 2.31 H new ATOM 0 HB3 GLU A 516 1.880 -24.879 -31.746 1.00 2.31 H new ATOM 0 HG2 GLU A 516 0.863 -25.713 -33.902 1.00 10.10 H new ATOM 0 HG3 GLU A 516 0.013 -24.385 -33.138 1.00 10.10 H new ATOM 241 N SER A 517 3.378 -21.602 -34.310 1.00 61.21 N ATOM 242 CA SER A 517 4.328 -21.094 -35.271 1.00 52.21 C ATOM 243 C SER A 517 4.682 -19.618 -34.982 1.00 34.43 C ATOM 244 O SER A 517 5.208 -18.907 -35.847 1.00 25.21 O ATOM 245 CB SER A 517 3.747 -21.246 -36.684 1.00 54.34 C ATOM 246 OG SER A 517 3.531 -22.619 -37.004 1.00 42.01 O ATOM 0 H SER A 517 2.461 -21.160 -34.365 1.00 61.21 H new ATOM 0 HA SER A 517 5.250 -21.670 -35.194 1.00 52.21 H new ATOM 0 HB2 SER A 517 2.806 -20.700 -36.755 1.00 54.34 H new ATOM 0 HB3 SER A 517 4.428 -20.803 -37.410 1.00 54.34 H new ATOM 0 HG SER A 517 2.773 -22.960 -36.485 1.00 42.01 H new ATOM 252 N ILE A 518 4.425 -19.162 -33.765 1.00 34.24 N ATOM 253 CA ILE A 518 4.740 -17.777 -33.418 1.00 11.43 C ATOM 254 C ILE A 518 6.230 -17.621 -33.040 1.00 22.32 C ATOM 255 O ILE A 518 6.823 -16.552 -33.206 1.00 11.10 O ATOM 256 CB ILE A 518 3.834 -17.227 -32.272 1.00 1.41 C ATOM 257 CG1 ILE A 518 4.141 -15.742 -32.009 1.00 34.11 C ATOM 258 CG2 ILE A 518 3.976 -18.051 -30.996 1.00 45.12 C ATOM 259 CD1 ILE A 518 3.386 -15.153 -30.853 1.00 14.01 C ATOM 0 H ILE A 518 4.009 -19.713 -33.014 1.00 34.24 H new ATOM 0 HA ILE A 518 4.537 -17.183 -34.309 1.00 11.43 H new ATOM 0 HB ILE A 518 2.797 -17.313 -32.596 1.00 1.41 H new ATOM 0 HG12 ILE A 518 5.210 -15.630 -31.825 1.00 34.11 H new ATOM 0 HG13 ILE A 518 3.911 -15.170 -32.908 1.00 34.11 H new ATOM 0 HG21 ILE A 518 3.330 -17.637 -30.222 1.00 45.12 H new ATOM 0 HG22 ILE A 518 3.688 -19.083 -31.195 1.00 45.12 H new ATOM 0 HG23 ILE A 518 5.012 -18.022 -30.658 1.00 45.12 H new ATOM 0 HD11 ILE A 518 3.660 -14.105 -30.736 1.00 14.01 H new ATOM 0 HD12 ILE A 518 2.315 -15.229 -31.041 1.00 14.01 H new ATOM 0 HD13 ILE A 518 3.634 -15.697 -29.941 1.00 14.01 H new ATOM 271 N GLY A 519 6.834 -18.686 -32.568 1.00 63.32 N ATOM 272 CA GLY A 519 8.207 -18.620 -32.139 1.00 64.12 C ATOM 273 C GLY A 519 8.321 -18.137 -30.710 1.00 23.12 C ATOM 274 O GLY A 519 8.548 -18.932 -29.795 1.00 34.00 O ATOM 0 H GLY A 519 6.398 -19.603 -32.472 1.00 63.32 H new ATOM 0 HA2 GLY A 519 8.664 -19.605 -32.228 1.00 64.12 H new ATOM 0 HA3 GLY A 519 8.762 -17.950 -32.796 1.00 64.12 H new ATOM 278 N ILE A 520 8.107 -16.847 -30.516 1.00 51.12 N ATOM 279 CA ILE A 520 8.219 -16.214 -29.213 1.00 63.11 C ATOM 280 C ILE A 520 6.974 -15.403 -28.967 1.00 52.42 C ATOM 281 O ILE A 520 6.538 -14.660 -29.841 1.00 24.02 O ATOM 282 CB ILE A 520 9.460 -15.243 -29.111 1.00 30.33 C ATOM 283 CG1 ILE A 520 10.788 -15.970 -29.368 1.00 31.14 C ATOM 284 CG2 ILE A 520 9.503 -14.536 -27.754 1.00 53.04 C ATOM 285 CD1 ILE A 520 11.110 -17.043 -28.350 1.00 14.24 C ATOM 0 H ILE A 520 7.848 -16.204 -31.265 1.00 51.12 H new ATOM 0 HA ILE A 520 8.349 -17.006 -28.475 1.00 63.11 H new ATOM 0 HB ILE A 520 9.332 -14.495 -29.893 1.00 30.33 H new ATOM 0 HG12 ILE A 520 10.757 -16.422 -30.359 1.00 31.14 H new ATOM 0 HG13 ILE A 520 11.595 -15.238 -29.377 1.00 31.14 H new ATOM 0 HG21 ILE A 520 10.369 -13.875 -27.715 1.00 53.04 H new ATOM 0 HG22 ILE A 520 8.593 -13.951 -27.620 1.00 53.04 H new ATOM 0 HG23 ILE A 520 9.578 -15.278 -26.959 1.00 53.04 H new ATOM 0 HD11 ILE A 520 12.063 -17.509 -28.601 1.00 14.24 H new ATOM 0 HD12 ILE A 520 11.175 -16.596 -27.358 1.00 14.24 H new ATOM 0 HD13 ILE A 520 10.324 -17.798 -28.356 1.00 14.24 H new ATOM 297 N MET A 521 6.395 -15.576 -27.823 1.00 23.40 N ATOM 298 CA MET A 521 5.259 -14.783 -27.408 1.00 1.21 C ATOM 299 C MET A 521 5.705 -13.806 -26.331 1.00 21.12 C ATOM 300 O MET A 521 6.596 -14.132 -25.528 1.00 4.41 O ATOM 301 CB MET A 521 4.131 -15.664 -26.872 1.00 2.34 C ATOM 302 CG MET A 521 4.573 -16.613 -25.772 1.00 52.22 C ATOM 303 SD MET A 521 3.210 -17.398 -24.909 1.00 42.51 S ATOM 304 CE MET A 521 2.445 -15.986 -24.116 1.00 63.11 C ATOM 0 H MET A 521 6.690 -16.272 -27.139 1.00 23.40 H new ATOM 0 HA MET A 521 4.877 -14.242 -28.274 1.00 1.21 H new ATOM 0 HB2 MET A 521 3.333 -15.027 -26.492 1.00 2.34 H new ATOM 0 HB3 MET A 521 3.712 -16.244 -27.694 1.00 2.34 H new ATOM 0 HG2 MET A 521 5.211 -17.384 -26.204 1.00 52.22 H new ATOM 0 HG3 MET A 521 5.180 -16.064 -25.052 1.00 52.22 H new ATOM 0 HE1 MET A 521 2.148 -16.255 -23.102 1.00 63.11 H new ATOM 0 HE2 MET A 521 3.156 -15.160 -24.079 1.00 63.11 H new ATOM 0 HE3 MET A 521 1.565 -15.682 -24.683 1.00 63.11 H new ATOM 314 N GLU A 522 5.115 -12.628 -26.320 1.00 22.32 N ATOM 315 CA GLU A 522 5.449 -11.608 -25.360 1.00 53.45 C ATOM 316 C GLU A 522 4.350 -11.470 -24.322 1.00 2.11 C ATOM 317 O GLU A 522 3.165 -11.364 -24.661 1.00 12.20 O ATOM 318 CB GLU A 522 5.660 -10.239 -26.029 1.00 54.40 C ATOM 319 CG GLU A 522 6.884 -10.101 -26.934 1.00 43.42 C ATOM 320 CD GLU A 522 6.778 -10.863 -28.223 1.00 3.33 C ATOM 321 OE1 GLU A 522 5.816 -10.613 -28.994 1.00 54.12 O ATOM 322 OE2 GLU A 522 7.678 -11.663 -28.531 1.00 5.04 O ATOM 0 H GLU A 522 4.388 -12.355 -26.981 1.00 22.32 H new ATOM 0 HA GLU A 522 6.380 -11.918 -24.885 1.00 53.45 H new ATOM 0 HB2 GLU A 522 4.773 -10.007 -26.618 1.00 54.40 H new ATOM 0 HB3 GLU A 522 5.728 -9.484 -25.246 1.00 54.40 H new ATOM 0 HG2 GLU A 522 7.040 -9.046 -27.159 1.00 43.42 H new ATOM 0 HG3 GLU A 522 7.765 -10.445 -26.392 1.00 43.42 H new ATOM 329 N VAL A 523 4.727 -11.502 -23.072 1.00 51.34 N ATOM 330 CA VAL A 523 3.797 -11.272 -21.994 1.00 52.45 C ATOM 331 C VAL A 523 4.196 -10.011 -21.268 1.00 1.33 C ATOM 332 O VAL A 523 5.319 -9.921 -20.772 1.00 73.24 O ATOM 333 CB VAL A 523 3.809 -12.420 -20.968 1.00 14.33 C ATOM 334 CG1 VAL A 523 2.764 -12.198 -19.894 1.00 71.14 C ATOM 335 CG2 VAL A 523 3.631 -13.761 -21.633 1.00 61.32 C ATOM 0 H VAL A 523 5.684 -11.687 -22.771 1.00 51.34 H new ATOM 0 HA VAL A 523 2.800 -11.197 -22.429 1.00 52.45 H new ATOM 0 HB VAL A 523 4.788 -12.423 -20.490 1.00 14.33 H new ATOM 0 HG11 VAL A 523 2.793 -13.023 -19.182 1.00 71.14 H new ATOM 0 HG12 VAL A 523 2.970 -11.262 -19.374 1.00 71.14 H new ATOM 0 HG13 VAL A 523 1.776 -12.149 -20.352 1.00 71.14 H new ATOM 0 HG21 VAL A 523 3.645 -14.547 -20.877 1.00 61.32 H new ATOM 0 HG22 VAL A 523 2.677 -13.782 -22.161 1.00 61.32 H new ATOM 0 HG23 VAL A 523 4.442 -13.926 -22.342 1.00 61.32 H new ATOM 345 N LYS A 524 3.315 -9.053 -21.216 1.00 5.44 N ATOM 346 CA LYS A 524 3.585 -7.840 -20.490 1.00 3.51 C ATOM 347 C LYS A 524 3.009 -7.915 -19.100 1.00 33.05 C ATOM 348 O LYS A 524 1.846 -8.281 -18.908 1.00 53.45 O ATOM 349 CB LYS A 524 3.041 -6.608 -21.207 1.00 22.44 C ATOM 350 CG LYS A 524 3.822 -6.190 -22.433 1.00 5.10 C ATOM 351 CD LYS A 524 3.181 -4.984 -23.080 1.00 61.33 C ATOM 352 CE LYS A 524 4.062 -4.391 -24.156 1.00 44.12 C ATOM 353 NZ LYS A 524 3.401 -3.262 -24.850 1.00 40.21 N ATOM 0 H LYS A 524 2.401 -9.086 -21.668 1.00 5.44 H new ATOM 0 HA LYS A 524 4.669 -7.740 -20.430 1.00 3.51 H new ATOM 0 HB2 LYS A 524 2.009 -6.802 -21.500 1.00 22.44 H new ATOM 0 HB3 LYS A 524 3.022 -5.775 -20.504 1.00 22.44 H new ATOM 0 HG2 LYS A 524 4.850 -5.958 -22.155 1.00 5.10 H new ATOM 0 HG3 LYS A 524 3.862 -7.014 -23.145 1.00 5.10 H new ATOM 0 HD2 LYS A 524 2.222 -5.270 -23.512 1.00 61.33 H new ATOM 0 HD3 LYS A 524 2.977 -4.229 -22.320 1.00 61.33 H new ATOM 0 HE2 LYS A 524 4.996 -4.047 -23.712 1.00 44.12 H new ATOM 0 HE3 LYS A 524 4.319 -5.163 -24.881 1.00 44.12 H new ATOM 0 HZ1 LYS A 524 4.037 -2.883 -25.580 1.00 40.21 H new ATOM 0 HZ2 LYS A 524 2.522 -3.595 -25.295 1.00 40.21 H new ATOM 0 HZ3 LYS A 524 3.179 -2.514 -24.162 1.00 40.21 H new ATOM 367 N VAL A 525 3.819 -7.603 -18.137 1.00 44.32 N ATOM 368 CA VAL A 525 3.374 -7.559 -16.779 1.00 51.55 C ATOM 369 C VAL A 525 3.029 -6.114 -16.439 1.00 74.41 C ATOM 370 O VAL A 525 3.893 -5.218 -16.456 1.00 2.30 O ATOM 371 CB VAL A 525 4.437 -8.115 -15.802 1.00 21.52 C ATOM 372 CG1 VAL A 525 3.933 -8.102 -14.367 1.00 1.11 C ATOM 373 CG2 VAL A 525 4.863 -9.522 -16.210 1.00 61.44 C ATOM 0 H VAL A 525 4.804 -7.372 -18.269 1.00 44.32 H new ATOM 0 HA VAL A 525 2.495 -8.194 -16.671 1.00 51.55 H new ATOM 0 HB VAL A 525 5.308 -7.462 -15.854 1.00 21.52 H new ATOM 0 HG11 VAL A 525 4.704 -8.499 -13.707 1.00 1.11 H new ATOM 0 HG12 VAL A 525 3.696 -7.079 -14.074 1.00 1.11 H new ATOM 0 HG13 VAL A 525 3.037 -8.718 -14.290 1.00 1.11 H new ATOM 0 HG21 VAL A 525 5.611 -9.893 -15.509 1.00 61.44 H new ATOM 0 HG22 VAL A 525 3.996 -10.182 -16.199 1.00 61.44 H new ATOM 0 HG23 VAL A 525 5.287 -9.497 -17.214 1.00 61.44 H new ATOM 383 N LEU A 526 1.786 -5.883 -16.175 1.00 64.01 N ATOM 384 CA LEU A 526 1.285 -4.565 -15.910 1.00 73.10 C ATOM 385 C LEU A 526 1.413 -4.262 -14.438 1.00 5.54 C ATOM 386 O LEU A 526 1.379 -5.180 -13.596 1.00 34.32 O ATOM 387 CB LEU A 526 -0.177 -4.456 -16.352 1.00 52.20 C ATOM 388 CG LEU A 526 -0.461 -4.786 -17.827 1.00 64.31 C ATOM 389 CD1 LEU A 526 -1.942 -4.658 -18.128 1.00 1.53 C ATOM 390 CD2 LEU A 526 0.353 -3.891 -18.758 1.00 71.42 C ATOM 0 H LEU A 526 1.074 -6.613 -16.135 1.00 64.01 H new ATOM 0 HA LEU A 526 1.870 -3.839 -16.474 1.00 73.10 H new ATOM 0 HB2 LEU A 526 -0.775 -5.122 -15.730 1.00 52.20 H new ATOM 0 HB3 LEU A 526 -0.521 -3.441 -16.155 1.00 52.20 H new ATOM 0 HG LEU A 526 -0.159 -5.819 -18.003 1.00 64.31 H new ATOM 0 HD11 LEU A 526 -2.122 -4.896 -19.176 1.00 1.53 H new ATOM 0 HD12 LEU A 526 -2.502 -5.349 -17.498 1.00 1.53 H new ATOM 0 HD13 LEU A 526 -2.267 -3.637 -17.926 1.00 1.53 H new ATOM 0 HD21 LEU A 526 0.132 -4.147 -19.794 1.00 71.42 H new ATOM 0 HD22 LEU A 526 0.093 -2.848 -18.579 1.00 71.42 H new ATOM 0 HD23 LEU A 526 1.416 -4.038 -18.567 1.00 71.42 H new ATOM 402 N ARG A 527 1.596 -3.008 -14.126 1.00 35.34 N ATOM 403 CA ARG A 527 1.715 -2.596 -12.766 1.00 20.32 C ATOM 404 C ARG A 527 0.536 -1.714 -12.434 1.00 74.41 C ATOM 405 O ARG A 527 0.487 -0.571 -12.863 1.00 63.21 O ATOM 406 CB ARG A 527 3.008 -1.792 -12.517 1.00 4.01 C ATOM 407 CG ARG A 527 4.341 -2.490 -12.797 1.00 40.15 C ATOM 408 CD ARG A 527 4.997 -2.001 -14.094 1.00 25.43 C ATOM 409 NE ARG A 527 4.321 -2.473 -15.308 1.00 32.41 N ATOM 410 CZ ARG A 527 4.085 -1.728 -16.402 1.00 20.12 C ATOM 411 NH1 ARG A 527 4.472 -0.455 -16.455 1.00 22.15 N ATOM 412 NH2 ARG A 527 3.485 -2.282 -17.451 1.00 72.12 N ATOM 0 H ARG A 527 1.666 -2.252 -14.807 1.00 35.34 H new ATOM 0 HA ARG A 527 1.744 -3.488 -12.141 1.00 20.32 H new ATOM 0 HB2 ARG A 527 2.966 -0.890 -13.128 1.00 4.01 H new ATOM 0 HB3 ARG A 527 3.009 -1.471 -11.475 1.00 4.01 H new ATOM 0 HG2 ARG A 527 5.020 -2.318 -11.962 1.00 40.15 H new ATOM 0 HG3 ARG A 527 4.178 -3.566 -12.859 1.00 40.15 H new ATOM 0 HD2 ARG A 527 5.011 -0.911 -14.096 1.00 25.43 H new ATOM 0 HD3 ARG A 527 6.035 -2.333 -14.114 1.00 25.43 H new ATOM 0 HE ARG A 527 4.005 -3.443 -15.323 1.00 32.41 H new ATOM 0 HH11 ARG A 527 4.953 -0.035 -15.660 1.00 22.15 H new ATOM 0 HH12 ARG A 527 4.287 0.100 -17.291 1.00 22.15 H new ATOM 0 HH21 ARG A 527 3.208 -3.263 -17.421 1.00 72.12 H new ATOM 0 HH22 ARG A 527 3.301 -1.726 -18.286 1.00 72.12 H new ATOM 426 N THR A 528 -0.420 -2.243 -11.719 1.00 62.14 N ATOM 427 CA THR A 528 -1.572 -1.467 -11.313 1.00 62.02 C ATOM 428 C THR A 528 -1.173 -0.376 -10.317 1.00 11.45 C ATOM 429 O THR A 528 -1.392 0.814 -10.544 1.00 2.11 O ATOM 430 CB THR A 528 -2.656 -2.376 -10.738 1.00 11.40 C ATOM 431 OG1 THR A 528 -2.045 -3.311 -9.838 1.00 54.43 O ATOM 432 CG2 THR A 528 -3.364 -3.125 -11.845 1.00 5.15 C ATOM 0 H THR A 528 -0.428 -3.212 -11.402 1.00 62.14 H new ATOM 0 HA THR A 528 -1.981 -0.973 -12.194 1.00 62.02 H new ATOM 0 HB THR A 528 -3.391 -1.769 -10.209 1.00 11.40 H new ATOM 0 HG1 THR A 528 -2.732 -3.899 -9.461 1.00 54.43 H new ATOM 0 HG21 THR A 528 -4.133 -3.767 -11.416 1.00 5.15 H new ATOM 0 HG22 THR A 528 -3.826 -2.413 -12.528 1.00 5.15 H new ATOM 0 HG23 THR A 528 -2.644 -3.735 -12.390 1.00 5.15 H new ATOM 440 N SER A 529 -0.587 -0.805 -9.214 1.00 53.20 N ATOM 441 CA SER A 529 -0.104 0.095 -8.187 1.00 52.13 C ATOM 442 C SER A 529 1.173 0.791 -8.655 1.00 61.20 C ATOM 443 O SER A 529 1.516 1.868 -8.184 1.00 12.52 O ATOM 444 CB SER A 529 0.156 -0.682 -6.888 1.00 74.14 C ATOM 445 OG SER A 529 0.498 0.177 -5.811 1.00 33.42 O ATOM 0 H SER A 529 -0.433 -1.792 -9.006 1.00 53.20 H new ATOM 0 HA SER A 529 -0.863 0.854 -7.995 1.00 52.13 H new ATOM 0 HB2 SER A 529 -0.733 -1.256 -6.625 1.00 74.14 H new ATOM 0 HB3 SER A 529 0.962 -1.398 -7.050 1.00 74.14 H new ATOM 0 HG SER A 529 0.654 -0.356 -5.004 1.00 33.42 H new ATOM 451 N GLY A 530 1.858 0.168 -9.579 1.00 4.55 N ATOM 452 CA GLY A 530 3.094 0.701 -10.055 1.00 32.14 C ATOM 453 C GLY A 530 4.241 -0.136 -9.570 1.00 44.23 C ATOM 454 O GLY A 530 4.072 -1.345 -9.360 1.00 15.32 O ATOM 0 H GLY A 530 1.574 -0.710 -10.013 1.00 4.55 H new ATOM 0 HA2 GLY A 530 3.090 0.729 -11.145 1.00 32.14 H new ATOM 0 HA3 GLY A 530 3.212 1.728 -9.710 1.00 32.14 H new ATOM 458 N ALA A 531 5.363 0.492 -9.371 1.00 75.03 N ATOM 459 CA ALA A 531 6.580 -0.132 -8.898 1.00 2.44 C ATOM 460 C ALA A 531 7.459 0.967 -8.342 1.00 43.15 C ATOM 461 O ALA A 531 7.558 2.054 -8.948 1.00 20.30 O ATOM 462 CB ALA A 531 7.296 -0.868 -10.030 1.00 42.24 C ATOM 0 H ALA A 531 5.467 1.493 -9.538 1.00 75.03 H new ATOM 0 HA ALA A 531 6.352 -0.872 -8.131 1.00 2.44 H new ATOM 0 HB1 ALA A 531 8.207 -1.327 -9.646 1.00 42.24 H new ATOM 0 HB2 ALA A 531 6.642 -1.641 -10.433 1.00 42.24 H new ATOM 0 HB3 ALA A 531 7.551 -0.161 -10.820 1.00 42.24 H new ATOM 468 N ARG A 532 8.051 0.734 -7.204 1.00 24.32 N ATOM 469 CA ARG A 532 8.865 1.735 -6.563 1.00 24.22 C ATOM 470 C ARG A 532 10.137 1.089 -6.044 1.00 73.40 C ATOM 471 O ARG A 532 10.079 0.149 -5.259 1.00 41.04 O ATOM 472 CB ARG A 532 8.044 2.385 -5.406 1.00 25.01 C ATOM 473 CG ARG A 532 8.635 3.645 -4.728 1.00 31.04 C ATOM 474 CD ARG A 532 9.858 3.374 -3.848 1.00 24.30 C ATOM 475 NE ARG A 532 10.316 4.592 -3.156 1.00 35.21 N ATOM 476 CZ ARG A 532 11.558 4.810 -2.688 1.00 64.43 C ATOM 477 NH1 ARG A 532 12.505 3.899 -2.838 1.00 1.03 N ATOM 478 NH2 ARG A 532 11.841 5.946 -2.079 1.00 44.41 N ATOM 0 H ARG A 532 7.985 -0.148 -6.696 1.00 24.32 H new ATOM 0 HA ARG A 532 9.146 2.515 -7.271 1.00 24.22 H new ATOM 0 HB2 ARG A 532 7.060 2.644 -5.797 1.00 25.01 H new ATOM 0 HB3 ARG A 532 7.892 1.629 -4.636 1.00 25.01 H new ATOM 0 HG2 ARG A 532 8.910 4.363 -5.500 1.00 31.04 H new ATOM 0 HG3 ARG A 532 7.861 4.112 -4.119 1.00 31.04 H new ATOM 0 HD2 ARG A 532 9.613 2.608 -3.112 1.00 24.30 H new ATOM 0 HD3 ARG A 532 10.667 2.979 -4.462 1.00 24.30 H new ATOM 0 HE ARG A 532 9.631 5.335 -3.020 1.00 35.21 H new ATOM 0 HH11 ARG A 532 12.297 3.020 -3.313 1.00 1.03 H new ATOM 0 HH12 ARG A 532 13.443 4.075 -2.479 1.00 1.03 H new ATOM 0 HH21 ARG A 532 11.118 6.657 -1.964 1.00 44.41 H new ATOM 0 HH22 ARG A 532 12.782 6.113 -1.723 1.00 44.41 H new ATOM 492 N GLY A 533 11.264 1.573 -6.501 1.00 43.34 N ATOM 493 CA GLY A 533 12.527 1.107 -5.991 1.00 23.35 C ATOM 494 C GLY A 533 13.156 0.055 -6.854 1.00 12.44 C ATOM 495 O GLY A 533 13.471 0.305 -8.011 1.00 14.32 O ATOM 0 H GLY A 533 11.332 2.289 -7.224 1.00 43.34 H new ATOM 0 HA2 GLY A 533 13.210 1.952 -5.901 1.00 23.35 H new ATOM 0 HA3 GLY A 533 12.382 0.707 -4.988 1.00 23.35 H new ATOM 499 N ASN A 534 13.411 -1.087 -6.285 1.00 1.13 N ATOM 500 CA ASN A 534 13.960 -2.202 -7.028 1.00 32.34 C ATOM 501 C ASN A 534 13.242 -3.451 -6.592 1.00 65.12 C ATOM 502 O ASN A 534 13.456 -3.936 -5.475 1.00 53.51 O ATOM 503 CB ASN A 534 15.465 -2.354 -6.789 1.00 42.01 C ATOM 504 CG ASN A 534 16.099 -3.362 -7.731 1.00 0.12 C ATOM 505 OD1 ASN A 534 16.200 -4.554 -7.437 1.00 31.21 O ATOM 506 ND2 ASN A 534 16.532 -2.884 -8.869 1.00 15.12 N ATOM 0 H ASN A 534 13.248 -1.279 -5.297 1.00 1.13 H new ATOM 0 HA ASN A 534 13.819 -2.025 -8.094 1.00 32.34 H new ATOM 0 HB2 ASN A 534 15.950 -1.386 -6.916 1.00 42.01 H new ATOM 0 HB3 ASN A 534 15.637 -2.665 -5.759 1.00 42.01 H new ATOM 0 HD21 ASN A 534 16.971 -3.505 -9.549 1.00 15.12 H new ATOM 0 HD22 ASN A 534 16.430 -1.891 -9.077 1.00 15.12 H new ATOM 513 N VAL A 535 12.368 -3.937 -7.409 1.00 32.44 N ATOM 514 CA VAL A 535 11.576 -5.083 -7.057 1.00 51.11 C ATOM 515 C VAL A 535 11.762 -6.200 -8.080 1.00 51.43 C ATOM 516 O VAL A 535 11.605 -6.003 -9.291 1.00 54.21 O ATOM 517 CB VAL A 535 10.070 -4.714 -6.919 1.00 13.10 C ATOM 518 CG1 VAL A 535 9.246 -5.916 -6.496 1.00 31.42 C ATOM 519 CG2 VAL A 535 9.872 -3.560 -5.933 1.00 13.53 C ATOM 0 H VAL A 535 12.178 -3.558 -8.337 1.00 32.44 H new ATOM 0 HA VAL A 535 11.922 -5.438 -6.086 1.00 51.11 H new ATOM 0 HB VAL A 535 9.723 -4.390 -7.900 1.00 13.10 H new ATOM 0 HG11 VAL A 535 8.199 -5.627 -6.408 1.00 31.42 H new ATOM 0 HG12 VAL A 535 9.343 -6.705 -7.242 1.00 31.42 H new ATOM 0 HG13 VAL A 535 9.603 -6.282 -5.533 1.00 31.42 H new ATOM 0 HG21 VAL A 535 8.810 -3.324 -5.857 1.00 13.53 H new ATOM 0 HG22 VAL A 535 10.250 -3.850 -4.953 1.00 13.53 H new ATOM 0 HG23 VAL A 535 10.414 -2.683 -6.286 1.00 13.53 H new ATOM 529 N ILE A 536 12.105 -7.352 -7.589 1.00 1.14 N ATOM 530 CA ILE A 536 12.315 -8.514 -8.414 1.00 70.51 C ATOM 531 C ILE A 536 11.052 -9.345 -8.445 1.00 63.54 C ATOM 532 O ILE A 536 10.590 -9.828 -7.405 1.00 31.51 O ATOM 533 CB ILE A 536 13.520 -9.371 -7.919 1.00 3.23 C ATOM 534 CG1 ILE A 536 14.853 -8.638 -8.131 1.00 44.33 C ATOM 535 CG2 ILE A 536 13.556 -10.731 -8.587 1.00 2.42 C ATOM 536 CD1 ILE A 536 15.192 -8.339 -9.571 1.00 34.32 C ATOM 0 H ILE A 536 12.250 -7.519 -6.593 1.00 1.14 H new ATOM 0 HA ILE A 536 12.556 -8.175 -9.422 1.00 70.51 H new ATOM 0 HB ILE A 536 13.378 -9.526 -6.849 1.00 3.23 H new ATOM 0 HG12 ILE A 536 14.827 -7.700 -7.577 1.00 44.33 H new ATOM 0 HG13 ILE A 536 15.654 -9.240 -7.702 1.00 44.33 H new ATOM 0 HG21 ILE A 536 14.410 -11.297 -8.215 1.00 2.42 H new ATOM 0 HG22 ILE A 536 12.637 -11.272 -8.362 1.00 2.42 H new ATOM 0 HG23 ILE A 536 13.647 -10.604 -9.666 1.00 2.42 H new ATOM 0 HD11 ILE A 536 16.150 -7.821 -9.619 1.00 34.32 H new ATOM 0 HD12 ILE A 536 15.256 -9.272 -10.131 1.00 34.32 H new ATOM 0 HD13 ILE A 536 14.416 -7.708 -10.004 1.00 34.32 H new ATOM 548 N VAL A 537 10.506 -9.486 -9.622 1.00 4.25 N ATOM 549 CA VAL A 537 9.286 -10.219 -9.857 1.00 71.42 C ATOM 550 C VAL A 537 9.626 -11.523 -10.563 1.00 24.20 C ATOM 551 O VAL A 537 9.991 -11.512 -11.743 1.00 34.50 O ATOM 552 CB VAL A 537 8.334 -9.405 -10.777 1.00 62.03 C ATOM 553 CG1 VAL A 537 7.004 -10.127 -10.972 1.00 10.53 C ATOM 554 CG2 VAL A 537 8.107 -8.026 -10.200 1.00 30.41 C ATOM 0 H VAL A 537 10.907 -9.084 -10.470 1.00 4.25 H new ATOM 0 HA VAL A 537 8.797 -10.406 -8.901 1.00 71.42 H new ATOM 0 HB VAL A 537 8.807 -9.307 -11.754 1.00 62.03 H new ATOM 0 HG11 VAL A 537 6.359 -9.533 -11.620 1.00 10.53 H new ATOM 0 HG12 VAL A 537 7.182 -11.100 -11.430 1.00 10.53 H new ATOM 0 HG13 VAL A 537 6.519 -10.264 -10.005 1.00 10.53 H new ATOM 0 HG21 VAL A 537 7.439 -7.464 -10.852 1.00 30.41 H new ATOM 0 HG22 VAL A 537 7.658 -8.115 -9.211 1.00 30.41 H new ATOM 0 HG23 VAL A 537 9.060 -7.503 -10.120 1.00 30.41 H new ATOM 564 N PRO A 538 9.613 -12.640 -9.855 1.00 54.11 N ATOM 565 CA PRO A 538 9.821 -13.922 -10.473 1.00 14.23 C ATOM 566 C PRO A 538 8.557 -14.401 -11.183 1.00 51.35 C ATOM 567 O PRO A 538 7.454 -13.962 -10.869 1.00 65.34 O ATOM 568 CB PRO A 538 10.189 -14.862 -9.312 1.00 30.30 C ATOM 569 CG PRO A 538 10.080 -14.052 -8.053 1.00 23.31 C ATOM 570 CD PRO A 538 9.421 -12.745 -8.404 1.00 31.50 C ATOM 0 HA PRO A 538 10.599 -13.887 -11.236 1.00 14.23 H new ATOM 0 HB2 PRO A 538 9.517 -15.720 -9.280 1.00 30.30 H new ATOM 0 HB3 PRO A 538 11.199 -15.253 -9.435 1.00 30.30 H new ATOM 0 HG2 PRO A 538 9.495 -14.586 -7.304 1.00 23.31 H new ATOM 0 HG3 PRO A 538 11.067 -13.879 -7.623 1.00 23.31 H new ATOM 0 HD2 PRO A 538 8.364 -12.745 -8.139 1.00 31.50 H new ATOM 0 HD3 PRO A 538 9.882 -11.909 -7.877 1.00 31.50 H new ATOM 578 N TYR A 539 8.721 -15.261 -12.135 1.00 31.24 N ATOM 579 CA TYR A 539 7.616 -15.836 -12.861 1.00 21.11 C ATOM 580 C TYR A 539 7.964 -17.273 -13.146 1.00 3.52 C ATOM 581 O TYR A 539 9.151 -17.632 -13.097 1.00 3.40 O ATOM 582 CB TYR A 539 7.347 -15.071 -14.190 1.00 33.20 C ATOM 583 CG TYR A 539 8.513 -15.076 -15.171 1.00 63.53 C ATOM 584 CD1 TYR A 539 8.780 -16.190 -15.955 1.00 73.32 C ATOM 585 CD2 TYR A 539 9.350 -13.983 -15.296 1.00 30.12 C ATOM 586 CE1 TYR A 539 9.836 -16.221 -16.818 1.00 35.14 C ATOM 587 CE2 TYR A 539 10.417 -14.005 -16.173 1.00 24.32 C ATOM 588 CZ TYR A 539 10.656 -15.129 -16.927 1.00 22.23 C ATOM 589 OH TYR A 539 11.723 -15.159 -17.797 1.00 31.42 O ATOM 0 H TYR A 539 9.635 -15.594 -12.441 1.00 31.24 H new ATOM 0 HA TYR A 539 6.706 -15.765 -12.266 1.00 21.11 H new ATOM 0 HB2 TYR A 539 6.477 -15.511 -14.678 1.00 33.20 H new ATOM 0 HB3 TYR A 539 7.092 -14.038 -13.954 1.00 33.20 H new ATOM 0 HD1 TYR A 539 8.136 -17.054 -15.880 1.00 73.32 H new ATOM 0 HD2 TYR A 539 9.167 -13.101 -14.700 1.00 30.12 H new ATOM 0 HE1 TYR A 539 10.025 -17.103 -17.413 1.00 35.14 H new ATOM 0 HE2 TYR A 539 11.061 -13.143 -16.266 1.00 24.32 H new ATOM 0 HH TYR A 539 11.769 -16.038 -18.229 1.00 31.42 H new ATOM 599 N LYS A 540 6.982 -18.082 -13.448 1.00 62.05 N ATOM 600 CA LYS A 540 7.237 -19.471 -13.765 1.00 2.12 C ATOM 601 C LYS A 540 6.122 -20.052 -14.617 1.00 32.54 C ATOM 602 O LYS A 540 4.922 -19.804 -14.363 1.00 14.52 O ATOM 603 CB LYS A 540 7.448 -20.290 -12.479 1.00 31.02 C ATOM 604 CG LYS A 540 6.234 -20.324 -11.569 1.00 31.33 C ATOM 605 CD LYS A 540 6.549 -20.930 -10.227 1.00 74.53 C ATOM 606 CE LYS A 540 5.285 -21.086 -9.411 1.00 74.15 C ATOM 607 NZ LYS A 540 5.564 -21.455 -8.022 1.00 52.11 N ATOM 0 H LYS A 540 6.000 -17.808 -13.482 1.00 62.05 H new ATOM 0 HA LYS A 540 8.155 -19.524 -14.351 1.00 2.12 H new ATOM 0 HB2 LYS A 540 7.716 -21.311 -12.750 1.00 31.02 H new ATOM 0 HB3 LYS A 540 8.292 -19.874 -11.929 1.00 31.02 H new ATOM 0 HG2 LYS A 540 5.858 -19.311 -11.429 1.00 31.33 H new ATOM 0 HG3 LYS A 540 5.439 -20.896 -12.047 1.00 31.33 H new ATOM 0 HD2 LYS A 540 7.025 -21.901 -10.362 1.00 74.53 H new ATOM 0 HD3 LYS A 540 7.259 -20.298 -9.693 1.00 74.53 H new ATOM 0 HE2 LYS A 540 4.724 -20.151 -9.431 1.00 74.15 H new ATOM 0 HE3 LYS A 540 4.652 -21.847 -9.867 1.00 74.15 H new ATOM 0 HZ1 LYS A 540 4.785 -22.038 -7.655 1.00 52.11 H new ATOM 0 HZ2 LYS A 540 6.452 -21.995 -7.978 1.00 52.11 H new ATOM 0 HZ3 LYS A 540 5.654 -20.594 -7.445 1.00 52.11 H new ATOM 621 N THR A 541 6.507 -20.773 -15.640 1.00 71.52 N ATOM 622 CA THR A 541 5.574 -21.420 -16.511 1.00 31.12 C ATOM 623 C THR A 541 5.122 -22.757 -15.911 1.00 24.44 C ATOM 624 O THR A 541 5.940 -23.624 -15.593 1.00 71.43 O ATOM 625 CB THR A 541 6.166 -21.601 -17.933 1.00 33.52 C ATOM 626 OG1 THR A 541 7.513 -22.096 -17.851 1.00 55.42 O ATOM 627 CG2 THR A 541 6.171 -20.285 -18.693 1.00 25.31 C ATOM 0 H THR A 541 7.484 -20.925 -15.889 1.00 71.52 H new ATOM 0 HA THR A 541 4.696 -20.782 -16.610 1.00 31.12 H new ATOM 0 HB THR A 541 5.539 -22.317 -18.465 1.00 33.52 H new ATOM 0 HG1 THR A 541 7.540 -22.874 -17.255 1.00 55.42 H new ATOM 0 HG21 THR A 541 6.591 -20.440 -19.687 1.00 25.31 H new ATOM 0 HG22 THR A 541 5.150 -19.914 -18.784 1.00 25.31 H new ATOM 0 HG23 THR A 541 6.775 -19.556 -18.154 1.00 25.31 H new ATOM 635 N ILE A 542 3.846 -22.892 -15.742 1.00 71.22 N ATOM 636 CA ILE A 542 3.241 -24.049 -15.132 1.00 75.12 C ATOM 637 C ILE A 542 2.880 -25.020 -16.239 1.00 61.30 C ATOM 638 O ILE A 542 2.180 -24.649 -17.188 1.00 32.14 O ATOM 639 CB ILE A 542 1.939 -23.648 -14.373 1.00 72.44 C ATOM 640 CG1 ILE A 542 2.189 -22.479 -13.405 1.00 52.35 C ATOM 641 CG2 ILE A 542 1.341 -24.835 -13.623 1.00 15.34 C ATOM 642 CD1 ILE A 542 3.196 -22.774 -12.306 1.00 15.43 C ATOM 0 H ILE A 542 3.170 -22.184 -16.030 1.00 71.22 H new ATOM 0 HA ILE A 542 3.937 -24.496 -14.422 1.00 75.12 H new ATOM 0 HB ILE A 542 1.221 -23.322 -15.125 1.00 72.44 H new ATOM 0 HG12 ILE A 542 2.536 -21.618 -13.977 1.00 52.35 H new ATOM 0 HG13 ILE A 542 1.242 -22.195 -12.946 1.00 52.35 H new ATOM 0 HG21 ILE A 542 0.435 -24.519 -13.106 1.00 15.34 H new ATOM 0 HG22 ILE A 542 1.097 -25.627 -14.331 1.00 15.34 H new ATOM 0 HG23 ILE A 542 2.063 -25.207 -12.896 1.00 15.34 H new ATOM 0 HD11 ILE A 542 3.310 -21.895 -11.671 1.00 15.43 H new ATOM 0 HD12 ILE A 542 2.844 -23.612 -11.705 1.00 15.43 H new ATOM 0 HD13 ILE A 542 4.158 -23.026 -12.752 1.00 15.43 H new ATOM 654 N GLU A 543 3.352 -26.228 -16.138 1.00 62.34 N ATOM 655 CA GLU A 543 3.107 -27.218 -17.154 1.00 3.53 C ATOM 656 C GLU A 543 1.693 -27.770 -17.056 1.00 63.33 C ATOM 657 O GLU A 543 1.335 -28.430 -16.073 1.00 50.41 O ATOM 658 CB GLU A 543 4.104 -28.358 -17.065 1.00 12.42 C ATOM 659 CG GLU A 543 5.547 -27.966 -17.285 1.00 12.04 C ATOM 660 CD GLU A 543 6.457 -29.165 -17.275 1.00 73.14 C ATOM 661 OE1 GLU A 543 6.236 -30.101 -18.087 1.00 32.25 O ATOM 662 OE2 GLU A 543 7.402 -29.213 -16.462 1.00 21.33 O ATOM 0 H GLU A 543 3.916 -26.557 -15.354 1.00 62.34 H new ATOM 0 HA GLU A 543 3.226 -26.722 -18.117 1.00 3.53 H new ATOM 0 HB2 GLU A 543 4.015 -28.822 -16.083 1.00 12.42 H new ATOM 0 HB3 GLU A 543 3.833 -29.115 -17.801 1.00 12.42 H new ATOM 0 HG2 GLU A 543 5.641 -27.445 -18.238 1.00 12.04 H new ATOM 0 HG3 GLU A 543 5.857 -27.267 -16.508 1.00 12.04 H new ATOM 669 N GLY A 544 0.893 -27.481 -18.048 1.00 31.20 N ATOM 670 CA GLY A 544 -0.448 -27.997 -18.090 1.00 41.43 C ATOM 671 C GLY A 544 -0.489 -29.289 -18.855 1.00 31.21 C ATOM 672 O GLY A 544 -0.065 -30.331 -18.354 1.00 21.02 O ATOM 0 H GLY A 544 1.148 -26.890 -18.839 1.00 31.20 H new ATOM 0 HA2 GLY A 544 -0.815 -28.156 -17.076 1.00 41.43 H new ATOM 0 HA3 GLY A 544 -1.110 -27.269 -18.558 1.00 41.43 H new ATOM 676 N THR A 545 -0.963 -29.228 -20.064 1.00 21.23 N ATOM 677 CA THR A 545 -0.996 -30.380 -20.925 1.00 72.24 C ATOM 678 C THR A 545 0.257 -30.403 -21.804 1.00 21.44 C ATOM 679 O THR A 545 0.633 -31.430 -22.362 1.00 31.43 O ATOM 680 CB THR A 545 -2.276 -30.370 -21.786 1.00 73.24 C ATOM 681 OG1 THR A 545 -2.460 -29.061 -22.366 1.00 31.24 O ATOM 682 CG2 THR A 545 -3.492 -30.724 -20.948 1.00 30.42 C ATOM 0 H THR A 545 -1.339 -28.378 -20.485 1.00 21.23 H new ATOM 0 HA THR A 545 -1.009 -31.284 -20.316 1.00 72.24 H new ATOM 0 HB THR A 545 -2.166 -31.114 -22.575 1.00 73.24 H new ATOM 0 HG1 THR A 545 -3.273 -29.057 -22.914 1.00 31.24 H new ATOM 0 HG21 THR A 545 -4.383 -30.711 -21.576 1.00 30.42 H new ATOM 0 HG22 THR A 545 -3.363 -31.719 -20.522 1.00 30.42 H new ATOM 0 HG23 THR A 545 -3.604 -29.997 -20.144 1.00 30.42 H new ATOM 690 N ALA A 546 0.903 -29.257 -21.898 1.00 2.43 N ATOM 691 CA ALA A 546 2.122 -29.125 -22.660 1.00 65.25 C ATOM 692 C ALA A 546 3.307 -29.466 -21.761 1.00 75.53 C ATOM 693 O ALA A 546 3.238 -29.248 -20.538 1.00 15.53 O ATOM 694 CB ALA A 546 2.231 -27.712 -23.208 1.00 20.41 C ATOM 0 H ALA A 546 0.596 -28.395 -21.448 1.00 2.43 H new ATOM 0 HA ALA A 546 2.118 -29.813 -23.506 1.00 65.25 H new ATOM 0 HB1 ALA A 546 3.152 -27.615 -23.783 1.00 20.41 H new ATOM 0 HB2 ALA A 546 1.377 -27.505 -23.853 1.00 20.41 H new ATOM 0 HB3 ALA A 546 2.242 -27.001 -22.382 1.00 20.41 H new ATOM 700 N ARG A 547 4.366 -30.003 -22.327 1.00 52.11 N ATOM 701 CA ARG A 547 5.501 -30.434 -21.545 1.00 71.22 C ATOM 702 C ARG A 547 6.655 -29.433 -21.608 1.00 42.05 C ATOM 703 O ARG A 547 6.997 -28.908 -22.691 1.00 70.15 O ATOM 704 CB ARG A 547 5.946 -31.814 -22.007 1.00 70.34 C ATOM 705 CG ARG A 547 6.917 -32.484 -21.073 1.00 63.11 C ATOM 706 CD ARG A 547 7.256 -33.868 -21.561 1.00 10.21 C ATOM 707 NE ARG A 547 8.077 -34.602 -20.593 1.00 25.30 N ATOM 708 CZ ARG A 547 9.066 -35.463 -20.890 1.00 21.25 C ATOM 709 NH1 ARG A 547 9.515 -35.589 -22.136 1.00 12.50 N ATOM 710 NH2 ARG A 547 9.629 -36.168 -19.918 1.00 62.25 N ATOM 0 H ARG A 547 4.463 -30.151 -23.331 1.00 52.11 H new ATOM 0 HA ARG A 547 5.193 -30.489 -20.501 1.00 71.22 H new ATOM 0 HB2 ARG A 547 5.068 -32.450 -22.120 1.00 70.34 H new ATOM 0 HB3 ARG A 547 6.405 -31.727 -22.992 1.00 70.34 H new ATOM 0 HG2 ARG A 547 7.826 -31.887 -20.996 1.00 63.11 H new ATOM 0 HG3 ARG A 547 6.487 -32.541 -20.073 1.00 63.11 H new ATOM 0 HD2 ARG A 547 6.336 -34.422 -21.751 1.00 10.21 H new ATOM 0 HD3 ARG A 547 7.788 -33.798 -22.510 1.00 10.21 H new ATOM 0 HE ARG A 547 7.880 -34.445 -19.605 1.00 25.30 H new ATOM 0 HH11 ARG A 547 9.108 -35.027 -22.884 1.00 12.50 H new ATOM 0 HH12 ARG A 547 10.266 -36.247 -22.343 1.00 12.50 H new ATOM 0 HH21 ARG A 547 9.311 -36.054 -18.956 1.00 62.25 H new ATOM 0 HH22 ARG A 547 10.380 -36.824 -20.133 1.00 62.25 H new ATOM 724 N GLY A 548 7.228 -29.152 -20.450 1.00 1.35 N ATOM 725 CA GLY A 548 8.351 -28.252 -20.345 1.00 14.15 C ATOM 726 C GLY A 548 9.662 -28.983 -20.529 1.00 12.55 C ATOM 727 O GLY A 548 9.681 -30.202 -20.713 1.00 41.23 O ATOM 0 H GLY A 548 6.924 -29.544 -19.559 1.00 1.35 H new ATOM 0 HA2 GLY A 548 8.262 -27.467 -21.096 1.00 14.15 H new ATOM 0 HA3 GLY A 548 8.338 -27.764 -19.371 1.00 14.15 H new ATOM 731 N GLY A 549 10.751 -28.267 -20.449 1.00 54.53 N ATOM 732 CA GLY A 549 12.045 -28.841 -20.709 1.00 4.50 C ATOM 733 C GLY A 549 12.446 -28.615 -22.141 1.00 44.31 C ATOM 734 O GLY A 549 13.419 -29.190 -22.629 1.00 23.14 O ATOM 0 H GLY A 549 10.768 -27.277 -20.204 1.00 54.53 H new ATOM 0 HA2 GLY A 549 12.786 -28.397 -20.044 1.00 4.50 H new ATOM 0 HA3 GLY A 549 12.024 -29.910 -20.496 1.00 4.50 H new ATOM 738 N GLY A 550 11.686 -27.769 -22.817 1.00 71.14 N ATOM 739 CA GLY A 550 11.945 -27.483 -24.205 1.00 21.34 C ATOM 740 C GLY A 550 11.234 -28.455 -25.111 1.00 33.32 C ATOM 741 O GLY A 550 11.604 -28.617 -26.270 1.00 12.41 O ATOM 0 H GLY A 550 10.888 -27.273 -22.422 1.00 71.14 H new ATOM 0 HA2 GLY A 550 11.623 -26.467 -24.435 1.00 21.34 H new ATOM 0 HA3 GLY A 550 13.018 -27.527 -24.393 1.00 21.34 H new ATOM 745 N GLU A 551 10.215 -29.104 -24.574 1.00 61.14 N ATOM 746 CA GLU A 551 9.455 -30.080 -25.321 1.00 72.41 C ATOM 747 C GLU A 551 8.438 -29.381 -26.232 1.00 71.42 C ATOM 748 O GLU A 551 8.690 -29.181 -27.425 1.00 62.32 O ATOM 749 CB GLU A 551 8.743 -31.039 -24.368 1.00 75.34 C ATOM 750 CG GLU A 551 9.663 -31.785 -23.413 1.00 43.22 C ATOM 751 CD GLU A 551 10.557 -32.785 -24.079 1.00 4.13 C ATOM 752 OE1 GLU A 551 10.121 -33.922 -24.317 1.00 31.11 O ATOM 753 OE2 GLU A 551 11.726 -32.471 -24.349 1.00 2.41 O ATOM 0 H GLU A 551 9.896 -28.968 -23.615 1.00 61.14 H new ATOM 0 HA GLU A 551 10.142 -30.653 -25.944 1.00 72.41 H new ATOM 0 HB2 GLU A 551 8.015 -30.476 -23.784 1.00 75.34 H new ATOM 0 HB3 GLU A 551 8.185 -31.767 -24.957 1.00 75.34 H new ATOM 0 HG2 GLU A 551 10.279 -31.061 -22.880 1.00 43.22 H new ATOM 0 HG3 GLU A 551 9.056 -32.297 -22.667 1.00 43.22 H new ATOM 760 N ASP A 552 7.316 -28.968 -25.658 1.00 72.12 N ATOM 761 CA ASP A 552 6.262 -28.279 -26.422 1.00 42.03 C ATOM 762 C ASP A 552 6.513 -26.799 -26.368 1.00 22.23 C ATOM 763 O ASP A 552 6.214 -26.058 -27.300 1.00 60.23 O ATOM 764 CB ASP A 552 4.861 -28.557 -25.846 1.00 12.12 C ATOM 765 CG ASP A 552 4.457 -30.008 -25.866 1.00 11.15 C ATOM 766 OD1 ASP A 552 4.818 -30.742 -24.923 1.00 4.23 O ATOM 767 OD2 ASP A 552 3.754 -30.445 -26.799 1.00 21.11 O ATOM 0 H ASP A 552 7.104 -29.094 -24.668 1.00 72.12 H new ATOM 0 HA ASP A 552 6.292 -28.651 -27.446 1.00 42.03 H new ATOM 0 HB2 ASP A 552 4.826 -28.197 -24.818 1.00 12.12 H new ATOM 0 HB3 ASP A 552 4.128 -27.981 -26.411 1.00 12.12 H new ATOM 772 N PHE A 553 7.066 -26.373 -25.270 1.00 40.50 N ATOM 773 CA PHE A 553 7.396 -25.003 -25.057 1.00 63.50 C ATOM 774 C PHE A 553 8.673 -24.950 -24.275 1.00 23.33 C ATOM 775 O PHE A 553 9.008 -25.907 -23.547 1.00 75.44 O ATOM 776 CB PHE A 553 6.261 -24.246 -24.311 1.00 35.22 C ATOM 777 CG PHE A 553 5.985 -24.705 -22.890 1.00 3.12 C ATOM 778 CD1 PHE A 553 5.251 -25.847 -22.643 1.00 2.20 C ATOM 779 CD2 PHE A 553 6.446 -23.970 -21.806 1.00 74.11 C ATOM 780 CE1 PHE A 553 4.983 -26.255 -21.351 1.00 43.22 C ATOM 781 CE2 PHE A 553 6.182 -24.376 -20.512 1.00 3.40 C ATOM 782 CZ PHE A 553 5.448 -25.521 -20.285 1.00 42.03 C ATOM 0 H PHE A 553 7.302 -26.982 -24.487 1.00 40.50 H new ATOM 0 HA PHE A 553 7.519 -24.507 -26.020 1.00 63.50 H new ATOM 0 HB2 PHE A 553 6.511 -23.185 -24.288 1.00 35.22 H new ATOM 0 HB3 PHE A 553 5.343 -24.345 -24.890 1.00 35.22 H new ATOM 0 HD1 PHE A 553 4.880 -26.431 -23.473 1.00 2.20 H new ATOM 0 HD2 PHE A 553 7.018 -23.070 -21.976 1.00 74.11 H new ATOM 0 HE1 PHE A 553 4.407 -27.152 -21.178 1.00 43.22 H new ATOM 0 HE2 PHE A 553 6.551 -23.797 -19.678 1.00 3.40 H new ATOM 0 HZ PHE A 553 5.239 -25.840 -19.275 1.00 42.03 H new ATOM 792 N GLU A 554 9.402 -23.895 -24.442 1.00 62.00 N ATOM 793 CA GLU A 554 10.602 -23.704 -23.704 1.00 72.23 C ATOM 794 C GLU A 554 10.169 -23.021 -22.447 1.00 75.11 C ATOM 795 O GLU A 554 9.794 -21.832 -22.472 1.00 52.02 O ATOM 796 CB GLU A 554 11.569 -22.808 -24.477 1.00 5.14 C ATOM 797 CG GLU A 554 13.000 -22.865 -24.019 1.00 11.15 C ATOM 798 CD GLU A 554 13.859 -21.798 -24.644 1.00 12.42 C ATOM 799 OE1 GLU A 554 13.674 -20.607 -24.330 1.00 40.15 O ATOM 800 OE2 GLU A 554 14.762 -22.136 -25.455 1.00 53.14 O ATOM 0 H GLU A 554 9.180 -23.143 -25.094 1.00 62.00 H new ATOM 0 HA GLU A 554 11.120 -24.644 -23.514 1.00 72.23 H new ATOM 0 HB2 GLU A 554 11.530 -23.083 -25.531 1.00 5.14 H new ATOM 0 HB3 GLU A 554 11.222 -21.777 -24.404 1.00 5.14 H new ATOM 0 HG2 GLU A 554 13.033 -22.762 -22.934 1.00 11.15 H new ATOM 0 HG3 GLU A 554 13.414 -23.844 -24.259 1.00 11.15 H new ATOM 807 N ASP A 555 10.151 -23.769 -21.380 1.00 4.31 N ATOM 808 CA ASP A 555 9.692 -23.278 -20.108 1.00 23.40 C ATOM 809 C ASP A 555 10.609 -22.208 -19.621 1.00 31.31 C ATOM 810 O ASP A 555 11.826 -22.238 -19.870 1.00 12.52 O ATOM 811 CB ASP A 555 9.581 -24.404 -19.074 1.00 42.44 C ATOM 812 CG ASP A 555 10.897 -25.062 -18.792 1.00 33.54 C ATOM 813 OD1 ASP A 555 11.367 -25.833 -19.643 1.00 13.22 O ATOM 814 OD2 ASP A 555 11.480 -24.838 -17.717 1.00 62.24 O ATOM 0 H ASP A 555 10.456 -24.742 -21.366 1.00 4.31 H new ATOM 0 HA ASP A 555 8.693 -22.863 -20.244 1.00 23.40 H new ATOM 0 HB2 ASP A 555 9.175 -24.001 -18.146 1.00 42.44 H new ATOM 0 HB3 ASP A 555 8.875 -25.153 -19.433 1.00 42.44 H new ATOM 819 N THR A 556 10.056 -21.259 -18.975 1.00 15.23 N ATOM 820 CA THR A 556 10.819 -20.189 -18.521 1.00 72.13 C ATOM 821 C THR A 556 10.384 -19.766 -17.143 1.00 53.50 C ATOM 822 O THR A 556 9.237 -19.365 -16.911 1.00 1.22 O ATOM 823 CB THR A 556 10.875 -18.998 -19.552 1.00 42.21 C ATOM 824 OG1 THR A 556 11.688 -17.920 -19.050 1.00 64.55 O ATOM 825 CG2 THR A 556 9.485 -18.484 -19.935 1.00 2.13 C ATOM 0 H THR A 556 9.062 -21.210 -18.750 1.00 15.23 H new ATOM 0 HA THR A 556 11.850 -20.532 -18.437 1.00 72.13 H new ATOM 0 HB THR A 556 11.332 -19.394 -20.459 1.00 42.21 H new ATOM 0 HG1 THR A 556 11.828 -17.258 -19.759 1.00 64.55 H new ATOM 0 HG21 THR A 556 9.584 -17.665 -20.647 1.00 2.13 H new ATOM 0 HG22 THR A 556 8.911 -19.292 -20.389 1.00 2.13 H new ATOM 0 HG23 THR A 556 8.970 -18.129 -19.042 1.00 2.13 H new ATOM 833 N CYS A 557 11.267 -19.959 -16.229 1.00 52.41 N ATOM 834 CA CYS A 557 11.102 -19.516 -14.899 1.00 11.13 C ATOM 835 C CYS A 557 12.297 -18.670 -14.556 1.00 20.40 C ATOM 836 O CYS A 557 13.449 -19.128 -14.625 1.00 12.31 O ATOM 837 CB CYS A 557 10.901 -20.697 -13.939 1.00 14.34 C ATOM 838 SG CYS A 557 12.050 -22.076 -14.183 1.00 23.40 S ATOM 0 H CYS A 557 12.149 -20.444 -16.395 1.00 52.41 H new ATOM 0 HA CYS A 557 10.199 -18.914 -14.796 1.00 11.13 H new ATOM 0 HB2 CYS A 557 11.000 -20.336 -12.915 1.00 14.34 H new ATOM 0 HB3 CYS A 557 9.882 -21.067 -14.049 1.00 14.34 H new ATOM 0 HG CYS A 557 11.792 -23.014 -13.320 1.00 23.40 H new ATOM 844 N GLY A 558 12.043 -17.440 -14.257 1.00 75.51 N ATOM 845 CA GLY A 558 13.095 -16.519 -14.023 1.00 12.34 C ATOM 846 C GLY A 558 12.600 -15.338 -13.277 1.00 44.04 C ATOM 847 O GLY A 558 11.489 -15.376 -12.735 1.00 63.15 O ATOM 0 H GLY A 558 11.105 -17.050 -14.169 1.00 75.51 H new ATOM 0 HA2 GLY A 558 13.891 -17.004 -13.459 1.00 12.34 H new ATOM 0 HA3 GLY A 558 13.525 -16.201 -14.973 1.00 12.34 H new ATOM 851 N GLU A 559 13.365 -14.289 -13.272 1.00 40.20 N ATOM 852 CA GLU A 559 13.012 -13.109 -12.541 1.00 70.44 C ATOM 853 C GLU A 559 13.183 -11.858 -13.374 1.00 42.03 C ATOM 854 O GLU A 559 14.131 -11.736 -14.172 1.00 22.40 O ATOM 855 CB GLU A 559 13.781 -13.023 -11.226 1.00 33.42 C ATOM 856 CG GLU A 559 15.275 -13.216 -11.369 1.00 51.31 C ATOM 857 CD GLU A 559 16.032 -12.985 -10.095 1.00 70.44 C ATOM 858 OE1 GLU A 559 15.827 -13.730 -9.118 1.00 21.55 O ATOM 859 OE2 GLU A 559 16.899 -12.086 -10.062 1.00 25.53 O ATOM 0 H GLU A 559 14.251 -14.226 -13.774 1.00 40.20 H new ATOM 0 HA GLU A 559 11.952 -13.182 -12.297 1.00 70.44 H new ATOM 0 HB2 GLU A 559 13.593 -12.051 -10.771 1.00 33.42 H new ATOM 0 HB3 GLU A 559 13.392 -13.776 -10.541 1.00 33.42 H new ATOM 0 HG2 GLU A 559 15.471 -14.229 -11.720 1.00 51.31 H new ATOM 0 HG3 GLU A 559 15.650 -12.536 -12.134 1.00 51.31 H new ATOM 866 N LEU A 560 12.237 -10.981 -13.228 1.00 52.35 N ATOM 867 CA LEU A 560 12.188 -9.715 -13.895 1.00 52.02 C ATOM 868 C LEU A 560 12.501 -8.627 -12.893 1.00 33.13 C ATOM 869 O LEU A 560 12.109 -8.729 -11.728 1.00 53.23 O ATOM 870 CB LEU A 560 10.777 -9.509 -14.424 1.00 2.13 C ATOM 871 CG LEU A 560 10.287 -10.539 -15.441 1.00 33.32 C ATOM 872 CD1 LEU A 560 8.829 -10.322 -15.771 1.00 64.54 C ATOM 873 CD2 LEU A 560 11.141 -10.522 -16.706 1.00 3.52 C ATOM 0 H LEU A 560 11.440 -11.136 -12.611 1.00 52.35 H new ATOM 0 HA LEU A 560 12.907 -9.684 -14.713 1.00 52.02 H new ATOM 0 HB2 LEU A 560 10.090 -9.507 -13.578 1.00 2.13 H new ATOM 0 HB3 LEU A 560 10.722 -8.521 -14.881 1.00 2.13 H new ATOM 0 HG LEU A 560 10.388 -11.525 -14.987 1.00 33.32 H new ATOM 0 HD11 LEU A 560 8.505 -11.068 -16.497 1.00 64.54 H new ATOM 0 HD12 LEU A 560 8.233 -10.416 -14.863 1.00 64.54 H new ATOM 0 HD13 LEU A 560 8.696 -9.325 -16.191 1.00 64.54 H new ATOM 0 HD21 LEU A 560 10.766 -11.266 -17.408 1.00 3.52 H new ATOM 0 HD22 LEU A 560 11.093 -9.534 -17.164 1.00 3.52 H new ATOM 0 HD23 LEU A 560 12.175 -10.754 -16.450 1.00 3.52 H new ATOM 885 N GLU A 561 13.175 -7.598 -13.323 1.00 73.33 N ATOM 886 CA GLU A 561 13.526 -6.529 -12.428 1.00 74.54 C ATOM 887 C GLU A 561 12.740 -5.277 -12.743 1.00 50.54 C ATOM 888 O GLU A 561 13.011 -4.579 -13.735 1.00 24.43 O ATOM 889 CB GLU A 561 15.026 -6.241 -12.456 1.00 71.12 C ATOM 890 CG GLU A 561 15.464 -5.156 -11.481 1.00 2.05 C ATOM 891 CD GLU A 561 16.933 -4.868 -11.556 1.00 3.52 C ATOM 892 OE1 GLU A 561 17.344 -4.058 -12.416 1.00 54.12 O ATOM 893 OE2 GLU A 561 17.709 -5.434 -10.752 1.00 62.24 O ATOM 0 H GLU A 561 13.492 -7.476 -14.285 1.00 73.33 H new ATOM 0 HA GLU A 561 13.268 -6.853 -11.420 1.00 74.54 H new ATOM 0 HB2 GLU A 561 15.567 -7.160 -12.229 1.00 71.12 H new ATOM 0 HB3 GLU A 561 15.310 -5.945 -13.466 1.00 71.12 H new ATOM 0 HG2 GLU A 561 14.908 -4.242 -11.688 1.00 2.05 H new ATOM 0 HG3 GLU A 561 15.209 -5.461 -10.466 1.00 2.05 H new ATOM 900 N PHE A 562 11.768 -5.012 -11.927 1.00 2.51 N ATOM 901 CA PHE A 562 10.983 -3.826 -12.039 1.00 15.51 C ATOM 902 C PHE A 562 11.502 -2.828 -11.061 1.00 50.54 C ATOM 903 O PHE A 562 11.565 -3.087 -9.871 1.00 34.31 O ATOM 904 CB PHE A 562 9.508 -4.094 -11.782 1.00 44.22 C ATOM 905 CG PHE A 562 8.786 -4.778 -12.903 1.00 24.35 C ATOM 906 CD1 PHE A 562 8.842 -6.151 -13.068 1.00 44.23 C ATOM 907 CD2 PHE A 562 8.011 -4.038 -13.775 1.00 51.41 C ATOM 908 CE1 PHE A 562 8.142 -6.762 -14.076 1.00 33.52 C ATOM 909 CE2 PHE A 562 7.317 -4.646 -14.788 1.00 20.23 C ATOM 910 CZ PHE A 562 7.378 -6.004 -14.936 1.00 53.21 C ATOM 0 H PHE A 562 11.495 -5.621 -11.156 1.00 2.51 H new ATOM 0 HA PHE A 562 11.063 -3.445 -13.057 1.00 15.51 H new ATOM 0 HB2 PHE A 562 9.416 -4.705 -10.884 1.00 44.22 H new ATOM 0 HB3 PHE A 562 9.012 -3.146 -11.575 1.00 44.22 H new ATOM 0 HD1 PHE A 562 9.443 -6.747 -12.396 1.00 44.23 H new ATOM 0 HD2 PHE A 562 7.951 -2.966 -13.657 1.00 51.41 H new ATOM 0 HE1 PHE A 562 8.189 -7.834 -14.196 1.00 33.52 H new ATOM 0 HE2 PHE A 562 6.723 -4.054 -15.468 1.00 20.23 H new ATOM 0 HZ PHE A 562 6.825 -6.484 -15.730 1.00 53.21 H new ATOM 920 N GLN A 563 11.926 -1.725 -11.551 1.00 24.32 N ATOM 921 CA GLN A 563 12.443 -0.711 -10.705 1.00 3.25 C ATOM 922 C GLN A 563 11.357 0.310 -10.451 1.00 62.33 C ATOM 923 O GLN A 563 10.681 0.282 -9.427 1.00 12.22 O ATOM 924 CB GLN A 563 13.691 -0.092 -11.336 1.00 21.34 C ATOM 925 CG GLN A 563 14.788 -1.111 -11.601 1.00 2.14 C ATOM 926 CD GLN A 563 15.971 -0.522 -12.316 1.00 44.03 C ATOM 927 OE1 GLN A 563 16.019 -0.504 -13.539 1.00 21.52 O ATOM 928 NE2 GLN A 563 16.927 -0.053 -11.580 1.00 63.10 N ATOM 0 H GLN A 563 11.926 -1.497 -12.545 1.00 24.32 H new ATOM 0 HA GLN A 563 12.747 -1.128 -9.745 1.00 3.25 H new ATOM 0 HB2 GLN A 563 13.416 0.391 -12.274 1.00 21.34 H new ATOM 0 HB3 GLN A 563 14.077 0.687 -10.678 1.00 21.34 H new ATOM 0 HG2 GLN A 563 15.118 -1.538 -10.654 1.00 2.14 H new ATOM 0 HG3 GLN A 563 14.381 -1.930 -12.195 1.00 2.14 H new ATOM 0 HE21 GLN A 563 16.851 -0.086 -10.563 1.00 63.10 H new ATOM 0 HE22 GLN A 563 17.756 0.349 -12.017 1.00 63.10 H new ATOM 937 N ASN A 564 11.168 1.179 -11.387 1.00 3.11 N ATOM 938 CA ASN A 564 10.108 2.139 -11.296 1.00 62.22 C ATOM 939 C ASN A 564 8.969 1.757 -12.243 1.00 3.01 C ATOM 940 O ASN A 564 9.191 1.056 -13.235 1.00 63.21 O ATOM 941 CB ASN A 564 10.631 3.559 -11.567 1.00 61.54 C ATOM 942 CG ASN A 564 9.571 4.630 -11.408 1.00 0.44 C ATOM 943 OD1 ASN A 564 8.896 5.005 -12.370 1.00 33.30 O ATOM 944 ND2 ASN A 564 9.403 5.107 -10.202 1.00 12.30 N ATOM 0 H ASN A 564 11.736 1.248 -12.232 1.00 3.11 H new ATOM 0 HA ASN A 564 9.712 2.134 -10.281 1.00 62.22 H new ATOM 0 HB2 ASN A 564 11.456 3.771 -10.887 1.00 61.54 H new ATOM 0 HB3 ASN A 564 11.033 3.603 -12.579 1.00 61.54 H new ATOM 0 HD21 ASN A 564 8.692 5.817 -10.029 1.00 12.30 H new ATOM 0 HD22 ASN A 564 9.983 4.769 -9.434 1.00 12.30 H new ATOM 951 N ASP A 565 7.769 2.216 -11.915 1.00 30.25 N ATOM 952 CA ASP A 565 6.509 2.016 -12.687 1.00 23.51 C ATOM 953 C ASP A 565 6.646 2.277 -14.197 1.00 42.30 C ATOM 954 O ASP A 565 5.957 1.637 -15.011 1.00 11.31 O ATOM 955 CB ASP A 565 5.430 2.946 -12.105 1.00 72.43 C ATOM 956 CG ASP A 565 4.174 3.047 -12.953 1.00 44.33 C ATOM 957 OD1 ASP A 565 3.342 2.128 -12.929 1.00 21.34 O ATOM 958 OD2 ASP A 565 3.992 4.077 -13.649 1.00 72.43 O ATOM 0 H ASP A 565 7.620 2.765 -11.068 1.00 30.25 H new ATOM 0 HA ASP A 565 6.239 0.965 -12.588 1.00 23.51 H new ATOM 0 HB2 ASP A 565 5.157 2.590 -11.111 1.00 72.43 H new ATOM 0 HB3 ASP A 565 5.853 3.943 -11.982 1.00 72.43 H new ATOM 963 N GLU A 566 7.564 3.166 -14.559 1.00 31.00 N ATOM 964 CA GLU A 566 7.755 3.607 -15.939 1.00 41.34 C ATOM 965 C GLU A 566 8.228 2.489 -16.895 1.00 21.21 C ATOM 966 O GLU A 566 8.193 2.668 -18.119 1.00 51.32 O ATOM 967 CB GLU A 566 8.754 4.766 -16.006 1.00 33.42 C ATOM 968 CG GLU A 566 10.179 4.374 -15.647 1.00 33.35 C ATOM 969 CD GLU A 566 11.164 5.471 -15.909 1.00 61.33 C ATOM 970 OE1 GLU A 566 11.347 5.852 -17.081 1.00 12.24 O ATOM 971 OE2 GLU A 566 11.793 5.958 -14.965 1.00 45.21 O ATOM 0 H GLU A 566 8.204 3.606 -13.898 1.00 31.00 H new ATOM 0 HA GLU A 566 6.769 3.927 -16.275 1.00 41.34 H new ATOM 0 HB2 GLU A 566 8.745 5.182 -17.013 1.00 33.42 H new ATOM 0 HB3 GLU A 566 8.424 5.556 -15.332 1.00 33.42 H new ATOM 0 HG2 GLU A 566 10.221 4.098 -14.593 1.00 33.35 H new ATOM 0 HG3 GLU A 566 10.464 3.491 -16.220 1.00 33.35 H new ATOM 978 N ILE A 567 8.680 1.371 -16.371 1.00 73.13 N ATOM 979 CA ILE A 567 9.179 0.327 -17.234 1.00 31.13 C ATOM 980 C ILE A 567 8.274 -0.874 -17.177 1.00 65.03 C ATOM 981 O ILE A 567 7.546 -1.081 -16.196 1.00 0.22 O ATOM 982 CB ILE A 567 10.639 -0.122 -16.904 1.00 20.33 C ATOM 983 CG1 ILE A 567 10.717 -0.786 -15.517 1.00 23.15 C ATOM 984 CG2 ILE A 567 11.605 1.057 -16.997 1.00 74.44 C ATOM 985 CD1 ILE A 567 12.085 -1.352 -15.180 1.00 3.33 C ATOM 0 H ILE A 567 8.712 1.165 -15.373 1.00 73.13 H new ATOM 0 HA ILE A 567 9.194 0.756 -18.236 1.00 31.13 H new ATOM 0 HB ILE A 567 10.935 -0.863 -17.646 1.00 20.33 H new ATOM 0 HG12 ILE A 567 10.441 -0.053 -14.759 1.00 23.15 H new ATOM 0 HG13 ILE A 567 9.981 -1.588 -15.468 1.00 23.15 H new ATOM 0 HG21 ILE A 567 12.615 0.719 -16.763 1.00 74.44 H new ATOM 0 HG22 ILE A 567 11.584 1.466 -18.007 1.00 74.44 H new ATOM 0 HG23 ILE A 567 11.307 1.829 -16.287 1.00 74.44 H new ATOM 0 HD11 ILE A 567 12.058 -1.802 -14.188 1.00 3.33 H new ATOM 0 HD12 ILE A 567 12.356 -2.110 -15.915 1.00 3.33 H new ATOM 0 HD13 ILE A 567 12.824 -0.551 -15.195 1.00 3.33 H new ATOM 997 N VAL A 568 8.321 -1.654 -18.205 1.00 33.12 N ATOM 998 CA VAL A 568 7.560 -2.857 -18.278 1.00 72.44 C ATOM 999 C VAL A 568 8.487 -3.995 -18.623 1.00 44.32 C ATOM 1000 O VAL A 568 9.470 -3.811 -19.339 1.00 44.43 O ATOM 1001 CB VAL A 568 6.398 -2.758 -19.324 1.00 60.14 C ATOM 1002 CG1 VAL A 568 6.914 -2.516 -20.737 1.00 52.21 C ATOM 1003 CG2 VAL A 568 5.506 -3.994 -19.285 1.00 50.52 C ATOM 0 H VAL A 568 8.896 -1.472 -19.028 1.00 33.12 H new ATOM 0 HA VAL A 568 7.093 -3.032 -17.309 1.00 72.44 H new ATOM 0 HB VAL A 568 5.799 -1.893 -19.041 1.00 60.14 H new ATOM 0 HG11 VAL A 568 6.072 -2.455 -21.426 1.00 52.21 H new ATOM 0 HG12 VAL A 568 7.474 -1.581 -20.765 1.00 52.21 H new ATOM 0 HG13 VAL A 568 7.565 -3.338 -21.032 1.00 52.21 H new ATOM 0 HG21 VAL A 568 4.710 -3.892 -20.023 1.00 50.52 H new ATOM 0 HG22 VAL A 568 6.100 -4.879 -19.512 1.00 50.52 H new ATOM 0 HG23 VAL A 568 5.069 -4.096 -18.292 1.00 50.52 H new ATOM 1013 N LYS A 569 8.232 -5.129 -18.083 1.00 41.43 N ATOM 1014 CA LYS A 569 9.004 -6.270 -18.413 1.00 25.21 C ATOM 1015 C LYS A 569 8.180 -7.222 -19.174 1.00 73.13 C ATOM 1016 O LYS A 569 6.948 -7.296 -18.992 1.00 1.41 O ATOM 1017 CB LYS A 569 9.637 -6.923 -17.212 1.00 0.43 C ATOM 1018 CG LYS A 569 10.786 -6.158 -16.558 1.00 44.33 C ATOM 1019 CD LYS A 569 12.118 -6.341 -17.285 1.00 51.01 C ATOM 1020 CE LYS A 569 12.272 -5.508 -18.563 1.00 71.11 C ATOM 1021 NZ LYS A 569 13.562 -5.748 -19.230 1.00 15.22 N ATOM 0 H LYS A 569 7.488 -5.293 -17.405 1.00 41.43 H new ATOM 0 HA LYS A 569 9.835 -5.936 -19.035 1.00 25.21 H new ATOM 0 HB2 LYS A 569 8.863 -7.086 -16.462 1.00 0.43 H new ATOM 0 HB3 LYS A 569 10.004 -7.905 -17.509 1.00 0.43 H new ATOM 0 HG2 LYS A 569 10.538 -5.097 -16.528 1.00 44.33 H new ATOM 0 HG3 LYS A 569 10.894 -6.489 -15.525 1.00 44.33 H new ATOM 0 HD2 LYS A 569 12.927 -6.085 -16.601 1.00 51.01 H new ATOM 0 HD3 LYS A 569 12.236 -7.395 -17.538 1.00 51.01 H new ATOM 0 HE2 LYS A 569 11.460 -5.746 -19.250 1.00 71.11 H new ATOM 0 HE3 LYS A 569 12.183 -4.450 -18.318 1.00 71.11 H new ATOM 0 HZ1 LYS A 569 13.623 -5.164 -20.089 1.00 15.22 H new ATOM 0 HZ2 LYS A 569 14.338 -5.497 -18.585 1.00 15.22 H new ATOM 0 HZ3 LYS A 569 13.638 -6.753 -19.488 1.00 15.22 H new ATOM 1035 N ILE A 570 8.832 -7.934 -20.015 1.00 4.30 N ATOM 1036 CA ILE A 570 8.165 -8.828 -20.914 1.00 13.31 C ATOM 1037 C ILE A 570 8.731 -10.217 -20.796 1.00 15.25 C ATOM 1038 O ILE A 570 9.943 -10.412 -20.777 1.00 60.14 O ATOM 1039 CB ILE A 570 8.248 -8.336 -22.392 1.00 64.41 C ATOM 1040 CG1 ILE A 570 7.588 -6.954 -22.531 1.00 30.32 C ATOM 1041 CG2 ILE A 570 7.595 -9.343 -23.342 1.00 75.55 C ATOM 1042 CD1 ILE A 570 7.672 -6.352 -23.918 1.00 72.33 C ATOM 0 H ILE A 570 9.848 -7.921 -20.108 1.00 4.30 H new ATOM 0 HA ILE A 570 7.113 -8.847 -20.630 1.00 13.31 H new ATOM 0 HB ILE A 570 9.300 -8.250 -22.666 1.00 64.41 H new ATOM 0 HG12 ILE A 570 6.539 -7.037 -22.248 1.00 30.32 H new ATOM 0 HG13 ILE A 570 8.056 -6.270 -21.823 1.00 30.32 H new ATOM 0 HG21 ILE A 570 7.666 -8.976 -24.366 1.00 75.55 H new ATOM 0 HG22 ILE A 570 8.107 -10.302 -23.264 1.00 75.55 H new ATOM 0 HG23 ILE A 570 6.546 -9.469 -23.074 1.00 75.55 H new ATOM 0 HD11 ILE A 570 7.181 -5.379 -23.923 1.00 72.33 H new ATOM 0 HD12 ILE A 570 8.718 -6.232 -24.200 1.00 72.33 H new ATOM 0 HD13 ILE A 570 7.177 -7.011 -24.631 1.00 72.33 H new ATOM 1054 N ILE A 571 7.854 -11.162 -20.672 1.00 42.23 N ATOM 1055 CA ILE A 571 8.221 -12.548 -20.614 1.00 53.13 C ATOM 1056 C ILE A 571 8.159 -13.089 -22.023 1.00 75.34 C ATOM 1057 O ILE A 571 7.135 -12.958 -22.695 1.00 30.22 O ATOM 1058 CB ILE A 571 7.245 -13.350 -19.725 1.00 11.34 C ATOM 1059 CG1 ILE A 571 7.081 -12.641 -18.373 1.00 33.52 C ATOM 1060 CG2 ILE A 571 7.770 -14.775 -19.531 1.00 63.21 C ATOM 1061 CD1 ILE A 571 6.008 -13.219 -17.493 1.00 55.31 C ATOM 0 H ILE A 571 6.850 -10.995 -20.607 1.00 42.23 H new ATOM 0 HA ILE A 571 9.219 -12.643 -20.187 1.00 53.13 H new ATOM 0 HB ILE A 571 6.270 -13.406 -20.210 1.00 11.34 H new ATOM 0 HG12 ILE A 571 8.031 -12.679 -17.839 1.00 33.52 H new ATOM 0 HG13 ILE A 571 6.858 -11.589 -18.553 1.00 33.52 H new ATOM 0 HG21 ILE A 571 7.077 -15.336 -18.903 1.00 63.21 H new ATOM 0 HG22 ILE A 571 7.859 -15.265 -20.501 1.00 63.21 H new ATOM 0 HG23 ILE A 571 8.748 -14.740 -19.051 1.00 63.21 H new ATOM 0 HD11 ILE A 571 5.961 -12.658 -16.560 1.00 55.31 H new ATOM 0 HD12 ILE A 571 5.046 -13.156 -18.003 1.00 55.31 H new ATOM 0 HD13 ILE A 571 6.237 -14.263 -17.278 1.00 55.31 H new ATOM 1073 N THR A 572 9.236 -13.631 -22.470 1.00 70.14 N ATOM 1074 CA THR A 572 9.331 -14.176 -23.795 1.00 32.53 C ATOM 1075 C THR A 572 9.378 -15.687 -23.726 1.00 42.30 C ATOM 1076 O THR A 572 10.320 -16.252 -23.176 1.00 11.54 O ATOM 1077 CB THR A 572 10.592 -13.628 -24.468 1.00 65.03 C ATOM 1078 OG1 THR A 572 11.706 -13.764 -23.567 1.00 70.11 O ATOM 1079 CG2 THR A 572 10.400 -12.169 -24.822 1.00 72.42 C ATOM 0 H THR A 572 10.094 -13.714 -21.924 1.00 70.14 H new ATOM 0 HA THR A 572 8.458 -13.887 -24.380 1.00 32.53 H new ATOM 0 HB THR A 572 10.786 -14.190 -25.382 1.00 65.03 H new ATOM 0 HG1 THR A 572 11.654 -14.630 -23.111 1.00 70.11 H new ATOM 0 HG21 THR A 572 11.303 -11.789 -25.300 1.00 72.42 H new ATOM 0 HG22 THR A 572 9.557 -12.068 -25.506 1.00 72.42 H new ATOM 0 HG23 THR A 572 10.202 -11.598 -23.915 1.00 72.42 H new ATOM 1087 N ILE A 573 8.361 -16.330 -24.240 1.00 12.31 N ATOM 1088 CA ILE A 573 8.278 -17.780 -24.182 1.00 42.43 C ATOM 1089 C ILE A 573 8.468 -18.356 -25.574 1.00 23.32 C ATOM 1090 O ILE A 573 7.890 -17.845 -26.544 1.00 13.31 O ATOM 1091 CB ILE A 573 6.909 -18.247 -23.629 1.00 10.32 C ATOM 1092 CG1 ILE A 573 6.579 -17.501 -22.334 1.00 4.21 C ATOM 1093 CG2 ILE A 573 6.927 -19.760 -23.379 1.00 32.35 C ATOM 1094 CD1 ILE A 573 5.193 -17.781 -21.812 1.00 62.41 C ATOM 0 H ILE A 573 7.574 -15.878 -24.706 1.00 12.31 H new ATOM 0 HA ILE A 573 9.062 -18.134 -23.512 1.00 42.43 H new ATOM 0 HB ILE A 573 6.139 -18.023 -24.367 1.00 10.32 H new ATOM 0 HG12 ILE A 573 7.308 -17.775 -21.571 1.00 4.21 H new ATOM 0 HG13 ILE A 573 6.684 -16.430 -22.505 1.00 4.21 H new ATOM 0 HG21 ILE A 573 5.959 -20.076 -22.990 1.00 32.35 H new ATOM 0 HG22 ILE A 573 7.130 -20.281 -24.315 1.00 32.35 H new ATOM 0 HG23 ILE A 573 7.705 -20.000 -22.654 1.00 32.35 H new ATOM 0 HD11 ILE A 573 5.030 -17.218 -20.893 1.00 62.41 H new ATOM 0 HD12 ILE A 573 4.456 -17.481 -22.557 1.00 62.41 H new ATOM 0 HD13 ILE A 573 5.089 -18.847 -21.608 1.00 62.41 H new ATOM 1106 N ARG A 574 9.274 -19.387 -25.668 1.00 74.34 N ATOM 1107 CA ARG A 574 9.558 -20.051 -26.931 1.00 1.12 C ATOM 1108 C ARG A 574 8.581 -21.202 -27.124 1.00 73.25 C ATOM 1109 O ARG A 574 8.488 -22.090 -26.273 1.00 52.42 O ATOM 1110 CB ARG A 574 10.971 -20.600 -26.892 1.00 4.24 C ATOM 1111 CG ARG A 574 11.566 -21.018 -28.213 1.00 62.31 C ATOM 1112 CD ARG A 574 12.983 -21.480 -27.997 1.00 11.22 C ATOM 1113 NE ARG A 574 13.689 -21.882 -29.214 1.00 40.51 N ATOM 1114 CZ ARG A 574 14.900 -22.463 -29.197 1.00 52.24 C ATOM 1115 NH1 ARG A 574 15.488 -22.741 -28.034 1.00 61.20 N ATOM 1116 NH2 ARG A 574 15.528 -22.755 -30.328 1.00 52.34 N ATOM 0 H ARG A 574 9.757 -19.796 -24.868 1.00 74.34 H new ATOM 0 HA ARG A 574 9.457 -19.342 -27.753 1.00 1.12 H new ATOM 0 HB2 ARG A 574 11.619 -19.843 -26.450 1.00 4.24 H new ATOM 0 HB3 ARG A 574 10.984 -21.461 -26.224 1.00 4.24 H new ATOM 0 HG2 ARG A 574 10.973 -21.819 -28.654 1.00 62.31 H new ATOM 0 HG3 ARG A 574 11.546 -20.184 -28.914 1.00 62.31 H new ATOM 0 HD2 ARG A 574 13.543 -20.677 -27.517 1.00 11.22 H new ATOM 0 HD3 ARG A 574 12.974 -22.321 -27.304 1.00 11.22 H new ATOM 0 HE ARG A 574 13.242 -21.714 -30.115 1.00 40.51 H new ATOM 0 HH11 ARG A 574 15.019 -22.513 -27.158 1.00 61.20 H new ATOM 0 HH12 ARG A 574 16.408 -23.182 -28.020 1.00 61.20 H new ATOM 0 HH21 ARG A 574 15.092 -22.538 -31.224 1.00 52.34 H new ATOM 0 HH22 ARG A 574 16.447 -23.196 -30.302 1.00 52.34 H new ATOM 1130 N ILE A 575 7.872 -21.192 -28.214 1.00 30.00 N ATOM 1131 CA ILE A 575 6.897 -22.231 -28.505 1.00 51.30 C ATOM 1132 C ILE A 575 7.469 -23.181 -29.565 1.00 63.20 C ATOM 1133 O ILE A 575 8.040 -22.719 -30.562 1.00 74.31 O ATOM 1134 CB ILE A 575 5.562 -21.611 -29.022 1.00 23.42 C ATOM 1135 CG1 ILE A 575 4.979 -20.598 -28.005 1.00 73.34 C ATOM 1136 CG2 ILE A 575 4.540 -22.693 -29.348 1.00 1.13 C ATOM 1137 CD1 ILE A 575 4.656 -21.179 -26.637 1.00 51.20 C ATOM 0 H ILE A 575 7.944 -20.471 -28.932 1.00 30.00 H new ATOM 0 HA ILE A 575 6.688 -22.781 -27.587 1.00 51.30 H new ATOM 0 HB ILE A 575 5.789 -21.072 -29.942 1.00 23.42 H new ATOM 0 HG12 ILE A 575 5.690 -19.782 -27.878 1.00 73.34 H new ATOM 0 HG13 ILE A 575 4.070 -20.166 -28.424 1.00 73.34 H new ATOM 0 HG21 ILE A 575 3.621 -22.229 -29.706 1.00 1.13 H new ATOM 0 HG22 ILE A 575 4.939 -23.350 -30.121 1.00 1.13 H new ATOM 0 HG23 ILE A 575 4.328 -23.275 -28.451 1.00 1.13 H new ATOM 0 HD11 ILE A 575 4.254 -20.396 -25.995 1.00 51.20 H new ATOM 0 HD12 ILE A 575 3.919 -21.974 -26.744 1.00 51.20 H new ATOM 0 HD13 ILE A 575 5.564 -21.584 -26.190 1.00 51.20 H new ATOM 1149 N PHE A 576 7.334 -24.478 -29.348 1.00 21.10 N ATOM 1150 CA PHE A 576 7.824 -25.481 -30.283 1.00 65.22 C ATOM 1151 C PHE A 576 6.642 -26.238 -30.872 1.00 0.20 C ATOM 1152 O PHE A 576 5.529 -26.200 -30.329 1.00 34.44 O ATOM 1153 CB PHE A 576 8.757 -26.497 -29.599 1.00 30.21 C ATOM 1154 CG PHE A 576 9.971 -25.922 -28.925 1.00 61.22 C ATOM 1155 CD1 PHE A 576 11.163 -25.743 -29.611 1.00 12.32 C ATOM 1156 CD2 PHE A 576 9.923 -25.580 -27.599 1.00 1.35 C ATOM 1157 CE1 PHE A 576 12.276 -25.227 -28.965 1.00 33.13 C ATOM 1158 CE2 PHE A 576 11.020 -25.073 -26.957 1.00 52.41 C ATOM 1159 CZ PHE A 576 12.196 -24.894 -27.627 1.00 62.34 C ATOM 0 H PHE A 576 6.882 -24.867 -28.520 1.00 21.10 H new ATOM 0 HA PHE A 576 8.386 -24.961 -31.059 1.00 65.22 H new ATOM 0 HB2 PHE A 576 8.180 -27.049 -28.857 1.00 30.21 H new ATOM 0 HB3 PHE A 576 9.087 -27.218 -30.346 1.00 30.21 H new ATOM 0 HD1 PHE A 576 11.225 -26.008 -30.656 1.00 12.32 H new ATOM 0 HD2 PHE A 576 9.002 -25.713 -27.050 1.00 1.35 H new ATOM 0 HE1 PHE A 576 13.201 -25.086 -29.505 1.00 33.13 H new ATOM 0 HE2 PHE A 576 10.955 -24.812 -25.911 1.00 52.41 H new ATOM 0 HZ PHE A 576 13.058 -24.495 -27.114 1.00 62.34 H new ATOM 1308 N CYS A 585 -2.736 -28.344 -26.339 1.00 14.11 N ATOM 1309 CA CYS A 585 -1.594 -28.130 -25.516 1.00 23.11 C ATOM 1310 C CYS A 585 -1.675 -26.739 -24.900 1.00 34.32 C ATOM 1311 O CYS A 585 -1.749 -25.731 -25.603 1.00 11.14 O ATOM 1312 CB CYS A 585 -0.308 -28.354 -26.322 1.00 44.43 C ATOM 1313 SG CYS A 585 -0.305 -27.598 -27.966 1.00 71.23 S ATOM 0 HA CYS A 585 -1.574 -28.851 -24.699 1.00 23.11 H new ATOM 0 HB2 CYS A 585 0.534 -27.959 -25.754 1.00 44.43 H new ATOM 0 HB3 CYS A 585 -0.145 -29.426 -26.430 1.00 44.43 H new ATOM 0 HG CYS A 585 -1.222 -26.678 -28.022 1.00 71.23 H new ATOM 1319 N SER A 586 -1.782 -26.691 -23.611 1.00 0.11 N ATOM 1320 CA SER A 586 -1.877 -25.453 -22.912 1.00 73.40 C ATOM 1321 C SER A 586 -1.021 -25.518 -21.663 1.00 33.14 C ATOM 1322 O SER A 586 -0.800 -26.609 -21.103 1.00 73.10 O ATOM 1323 CB SER A 586 -3.347 -25.182 -22.547 1.00 73.13 C ATOM 1324 OG SER A 586 -4.179 -25.314 -23.696 1.00 61.04 O ATOM 0 H SER A 586 -1.806 -27.516 -23.011 1.00 0.11 H new ATOM 0 HA SER A 586 -1.519 -24.640 -23.543 1.00 73.40 H new ATOM 0 HB2 SER A 586 -3.671 -25.880 -21.774 1.00 73.13 H new ATOM 0 HB3 SER A 586 -3.446 -24.179 -22.132 1.00 73.13 H new ATOM 0 HG SER A 586 -5.111 -25.140 -23.447 1.00 61.04 H new ATOM 1330 N PHE A 587 -0.492 -24.405 -21.277 1.00 2.30 N ATOM 1331 CA PHE A 587 0.260 -24.297 -20.052 1.00 41.53 C ATOM 1332 C PHE A 587 -0.100 -22.982 -19.402 1.00 53.13 C ATOM 1333 O PHE A 587 -0.699 -22.133 -20.046 1.00 21.45 O ATOM 1334 CB PHE A 587 1.785 -24.402 -20.306 1.00 61.20 C ATOM 1335 CG PHE A 587 2.389 -23.288 -21.130 1.00 71.54 C ATOM 1336 CD1 PHE A 587 2.442 -23.374 -22.506 1.00 15.42 C ATOM 1337 CD2 PHE A 587 2.915 -22.162 -20.515 1.00 50.13 C ATOM 1338 CE1 PHE A 587 3.001 -22.362 -23.256 1.00 64.55 C ATOM 1339 CE2 PHE A 587 3.474 -21.150 -21.258 1.00 45.22 C ATOM 1340 CZ PHE A 587 3.518 -21.248 -22.632 1.00 65.23 C ATOM 0 H PHE A 587 -0.565 -23.533 -21.801 1.00 2.30 H new ATOM 0 HA PHE A 587 0.005 -25.124 -19.389 1.00 41.53 H new ATOM 0 HB2 PHE A 587 2.294 -24.434 -19.343 1.00 61.20 H new ATOM 0 HB3 PHE A 587 1.987 -25.350 -20.805 1.00 61.20 H new ATOM 0 HD1 PHE A 587 2.040 -24.245 -23.002 1.00 15.42 H new ATOM 0 HD2 PHE A 587 2.885 -22.079 -19.439 1.00 50.13 H new ATOM 0 HE1 PHE A 587 3.034 -22.442 -24.333 1.00 64.55 H new ATOM 0 HE2 PHE A 587 3.879 -20.278 -20.765 1.00 45.22 H new ATOM 0 HZ PHE A 587 3.957 -20.454 -23.218 1.00 65.23 H new ATOM 1350 N SER A 588 0.245 -22.799 -18.174 1.00 31.15 N ATOM 1351 CA SER A 588 -0.070 -21.571 -17.522 1.00 22.33 C ATOM 1352 C SER A 588 1.208 -20.850 -17.147 1.00 64.33 C ATOM 1353 O SER A 588 2.284 -21.405 -17.233 1.00 40.52 O ATOM 1354 CB SER A 588 -0.955 -21.821 -16.302 1.00 64.43 C ATOM 1355 OG SER A 588 -2.128 -22.538 -16.667 1.00 44.51 O ATOM 0 H SER A 588 0.744 -23.480 -17.601 1.00 31.15 H new ATOM 0 HA SER A 588 -0.633 -20.934 -18.205 1.00 22.33 H new ATOM 0 HB2 SER A 588 -0.398 -22.383 -15.552 1.00 64.43 H new ATOM 0 HB3 SER A 588 -1.232 -20.870 -15.847 1.00 64.43 H new ATOM 0 HG SER A 588 -2.680 -22.689 -15.871 1.00 44.51 H new ATOM 1361 N LEU A 589 1.090 -19.627 -16.793 1.00 64.13 N ATOM 1362 CA LEU A 589 2.194 -18.836 -16.364 1.00 43.23 C ATOM 1363 C LEU A 589 1.734 -18.007 -15.211 1.00 64.30 C ATOM 1364 O LEU A 589 0.681 -17.376 -15.284 1.00 24.15 O ATOM 1365 CB LEU A 589 2.703 -17.955 -17.527 1.00 31.03 C ATOM 1366 CG LEU A 589 3.764 -16.883 -17.206 1.00 11.21 C ATOM 1367 CD1 LEU A 589 4.982 -17.475 -16.543 1.00 55.21 C ATOM 1368 CD2 LEU A 589 4.185 -16.193 -18.464 1.00 5.12 C ATOM 0 H LEU A 589 0.200 -19.128 -16.791 1.00 64.13 H new ATOM 0 HA LEU A 589 3.027 -19.466 -16.053 1.00 43.23 H new ATOM 0 HB2 LEU A 589 3.114 -18.614 -18.292 1.00 31.03 H new ATOM 0 HB3 LEU A 589 1.842 -17.453 -17.968 1.00 31.03 H new ATOM 0 HG LEU A 589 3.309 -16.173 -16.515 1.00 11.21 H new ATOM 0 HD11 LEU A 589 5.703 -16.685 -16.335 1.00 55.21 H new ATOM 0 HD12 LEU A 589 4.690 -17.956 -15.609 1.00 55.21 H new ATOM 0 HD13 LEU A 589 5.434 -18.213 -17.205 1.00 55.21 H new ATOM 0 HD21 LEU A 589 4.935 -15.437 -18.231 1.00 5.12 H new ATOM 0 HD22 LEU A 589 4.608 -16.922 -19.155 1.00 5.12 H new ATOM 0 HD23 LEU A 589 3.320 -15.716 -18.925 1.00 5.12 H new ATOM 1380 N VAL A 590 2.455 -18.062 -14.136 1.00 32.12 N ATOM 1381 CA VAL A 590 2.124 -17.285 -12.976 1.00 41.33 C ATOM 1382 C VAL A 590 3.316 -16.475 -12.555 1.00 33.14 C ATOM 1383 O VAL A 590 4.464 -16.807 -12.901 1.00 33.35 O ATOM 1384 CB VAL A 590 1.630 -18.143 -11.763 1.00 13.32 C ATOM 1385 CG1 VAL A 590 0.388 -18.938 -12.113 1.00 53.32 C ATOM 1386 CG2 VAL A 590 2.721 -19.065 -11.239 1.00 75.33 C ATOM 0 H VAL A 590 3.287 -18.643 -14.034 1.00 32.12 H new ATOM 0 HA VAL A 590 1.294 -16.641 -13.265 1.00 41.33 H new ATOM 0 HB VAL A 590 1.374 -17.443 -10.968 1.00 13.32 H new ATOM 0 HG11 VAL A 590 0.074 -19.521 -11.248 1.00 53.32 H new ATOM 0 HG12 VAL A 590 -0.412 -18.256 -12.400 1.00 53.32 H new ATOM 0 HG13 VAL A 590 0.608 -19.610 -12.943 1.00 53.32 H new ATOM 0 HG21 VAL A 590 2.337 -19.642 -10.398 1.00 75.33 H new ATOM 0 HG22 VAL A 590 3.035 -19.744 -12.032 1.00 75.33 H new ATOM 0 HG23 VAL A 590 3.574 -18.470 -10.911 1.00 75.33 H new ATOM 1396 N LEU A 591 3.052 -15.428 -11.849 1.00 11.31 N ATOM 1397 CA LEU A 591 4.069 -14.601 -11.295 1.00 1.33 C ATOM 1398 C LEU A 591 4.277 -15.083 -9.884 1.00 22.10 C ATOM 1399 O LEU A 591 3.333 -15.572 -9.259 1.00 34.35 O ATOM 1400 CB LEU A 591 3.593 -13.150 -11.287 1.00 55.51 C ATOM 1401 CG LEU A 591 3.301 -12.521 -12.645 1.00 4.22 C ATOM 1402 CD1 LEU A 591 2.483 -11.249 -12.483 1.00 13.40 C ATOM 1403 CD2 LEU A 591 4.599 -12.226 -13.382 1.00 51.42 C ATOM 0 H LEU A 591 2.104 -15.117 -11.637 1.00 11.31 H new ATOM 0 HA LEU A 591 4.993 -14.652 -11.871 1.00 1.33 H new ATOM 0 HB2 LEU A 591 2.688 -13.091 -10.682 1.00 55.51 H new ATOM 0 HB3 LEU A 591 4.350 -12.546 -10.787 1.00 55.51 H new ATOM 0 HG LEU A 591 2.719 -13.230 -13.234 1.00 4.22 H new ATOM 0 HD11 LEU A 591 2.286 -10.816 -13.464 1.00 13.40 H new ATOM 0 HD12 LEU A 591 1.538 -11.484 -11.993 1.00 13.40 H new ATOM 0 HD13 LEU A 591 3.038 -10.534 -11.876 1.00 13.40 H new ATOM 0 HD21 LEU A 591 4.374 -11.777 -14.350 1.00 51.42 H new ATOM 0 HD22 LEU A 591 5.203 -11.535 -12.793 1.00 51.42 H new ATOM 0 HD23 LEU A 591 5.151 -13.154 -13.532 1.00 51.42 H new ATOM 1415 N GLU A 592 5.462 -15.000 -9.399 1.00 43.42 N ATOM 1416 CA GLU A 592 5.739 -15.423 -8.064 1.00 42.41 C ATOM 1417 C GLU A 592 5.740 -14.174 -7.197 1.00 41.23 C ATOM 1418 O GLU A 592 5.572 -13.058 -7.707 1.00 71.31 O ATOM 1419 CB GLU A 592 7.100 -16.133 -7.992 1.00 23.44 C ATOM 1420 CG GLU A 592 7.338 -16.988 -6.740 1.00 44.52 C ATOM 1421 CD GLU A 592 6.301 -18.074 -6.551 1.00 32.23 C ATOM 1422 OE1 GLU A 592 5.229 -17.804 -5.962 1.00 41.33 O ATOM 1423 OE2 GLU A 592 6.549 -19.220 -6.968 1.00 15.34 O ATOM 0 H GLU A 592 6.268 -14.639 -9.909 1.00 43.42 H new ATOM 0 HA GLU A 592 4.988 -16.134 -7.719 1.00 42.41 H new ATOM 0 HB2 GLU A 592 7.204 -16.770 -8.870 1.00 23.44 H new ATOM 0 HB3 GLU A 592 7.886 -15.380 -8.050 1.00 23.44 H new ATOM 0 HG2 GLU A 592 8.325 -17.445 -6.803 1.00 44.52 H new ATOM 0 HG3 GLU A 592 7.341 -16.342 -5.862 1.00 44.52 H new ATOM 1430 N GLU A 593 5.928 -14.354 -5.936 1.00 43.12 N ATOM 1431 CA GLU A 593 5.913 -13.280 -4.994 1.00 61.30 C ATOM 1432 C GLU A 593 7.203 -12.462 -5.088 1.00 32.32 C ATOM 1433 O GLU A 593 8.316 -12.997 -4.904 1.00 3.33 O ATOM 1434 CB GLU A 593 5.684 -13.843 -3.613 1.00 61.20 C ATOM 1435 CG GLU A 593 4.420 -14.682 -3.562 1.00 43.35 C ATOM 1436 CD GLU A 593 4.145 -15.249 -2.221 1.00 23.32 C ATOM 1437 OE1 GLU A 593 4.640 -16.353 -1.910 1.00 72.22 O ATOM 1438 OE2 GLU A 593 3.414 -14.615 -1.443 1.00 55.24 O ATOM 0 H GLU A 593 6.100 -15.268 -5.518 1.00 43.12 H new ATOM 0 HA GLU A 593 5.097 -12.594 -5.220 1.00 61.30 H new ATOM 0 HB2 GLU A 593 6.539 -14.452 -3.320 1.00 61.20 H new ATOM 0 HB3 GLU A 593 5.611 -13.028 -2.893 1.00 61.20 H new ATOM 0 HG2 GLU A 593 3.573 -14.069 -3.870 1.00 43.35 H new ATOM 0 HG3 GLU A 593 4.503 -15.496 -4.282 1.00 43.35 H new ATOM 1445 N PRO A 594 7.068 -11.168 -5.402 1.00 71.05 N ATOM 1446 CA PRO A 594 8.193 -10.283 -5.638 1.00 64.12 C ATOM 1447 C PRO A 594 8.957 -9.912 -4.372 1.00 74.20 C ATOM 1448 O PRO A 594 8.386 -9.772 -3.287 1.00 1.14 O ATOM 1449 CB PRO A 594 7.537 -9.043 -6.249 1.00 0.35 C ATOM 1450 CG PRO A 594 6.183 -9.021 -5.649 1.00 52.50 C ATOM 1451 CD PRO A 594 5.780 -10.453 -5.548 1.00 63.12 C ATOM 0 HA PRO A 594 8.943 -10.756 -6.272 1.00 64.12 H new ATOM 0 HB2 PRO A 594 8.094 -8.138 -6.009 1.00 0.35 H new ATOM 0 HB3 PRO A 594 7.491 -9.111 -7.336 1.00 0.35 H new ATOM 0 HG2 PRO A 594 6.194 -8.544 -4.669 1.00 52.50 H new ATOM 0 HG3 PRO A 594 5.486 -8.458 -6.270 1.00 52.50 H new ATOM 0 HD2 PRO A 594 5.126 -10.626 -4.693 1.00 63.12 H new ATOM 0 HD3 PRO A 594 5.238 -10.780 -6.435 1.00 63.12 H new ATOM 1459 N LYS A 595 10.240 -9.749 -4.522 1.00 25.42 N ATOM 1460 CA LYS A 595 11.094 -9.358 -3.422 1.00 14.22 C ATOM 1461 C LYS A 595 11.575 -7.933 -3.668 1.00 12.32 C ATOM 1462 O LYS A 595 11.725 -7.519 -4.819 1.00 11.01 O ATOM 1463 CB LYS A 595 12.296 -10.314 -3.263 1.00 50.03 C ATOM 1464 CG LYS A 595 13.238 -10.339 -4.459 1.00 5.13 C ATOM 1465 CD LYS A 595 14.508 -11.145 -4.198 1.00 42.30 C ATOM 1466 CE LYS A 595 14.233 -12.632 -4.007 1.00 74.32 C ATOM 1467 NZ LYS A 595 15.490 -13.402 -3.876 1.00 12.52 N ATOM 0 H LYS A 595 10.730 -9.882 -5.407 1.00 25.42 H new ATOM 0 HA LYS A 595 10.524 -9.410 -2.495 1.00 14.22 H new ATOM 0 HB2 LYS A 595 12.861 -10.025 -2.376 1.00 50.03 H new ATOM 0 HB3 LYS A 595 11.922 -11.323 -3.088 1.00 50.03 H new ATOM 0 HG2 LYS A 595 12.716 -10.761 -5.318 1.00 5.13 H new ATOM 0 HG3 LYS A 595 13.510 -9.317 -4.722 1.00 5.13 H new ATOM 0 HD2 LYS A 595 15.196 -11.011 -5.033 1.00 42.30 H new ATOM 0 HD3 LYS A 595 15.005 -10.755 -3.310 1.00 42.30 H new ATOM 0 HE2 LYS A 595 13.620 -12.779 -3.117 1.00 74.32 H new ATOM 0 HE3 LYS A 595 13.660 -13.009 -4.854 1.00 74.32 H new ATOM 0 HZ1 LYS A 595 15.268 -14.410 -3.747 1.00 12.52 H new ATOM 0 HZ2 LYS A 595 16.063 -13.281 -4.736 1.00 12.52 H new ATOM 0 HZ3 LYS A 595 16.024 -13.057 -3.053 1.00 12.52 H new ATOM 1481 N TRP A 596 11.806 -7.197 -2.621 1.00 63.13 N ATOM 1482 CA TRP A 596 12.218 -5.818 -2.746 1.00 3.53 C ATOM 1483 C TRP A 596 13.682 -5.741 -2.376 1.00 54.25 C ATOM 1484 O TRP A 596 14.087 -6.245 -1.324 1.00 3.13 O ATOM 1485 CB TRP A 596 11.383 -4.948 -1.786 1.00 60.23 C ATOM 1486 CG TRP A 596 11.398 -3.458 -2.046 1.00 45.42 C ATOM 1487 CD1 TRP A 596 12.433 -2.701 -2.505 1.00 75.40 C ATOM 1488 CD2 TRP A 596 10.310 -2.544 -1.826 1.00 1.44 C ATOM 1489 NE1 TRP A 596 12.062 -1.390 -2.578 1.00 41.31 N ATOM 1490 CE2 TRP A 596 10.767 -1.264 -2.172 1.00 61.45 C ATOM 1491 CE3 TRP A 596 8.996 -2.686 -1.366 1.00 13.10 C ATOM 1492 CZ2 TRP A 596 9.962 -0.133 -2.080 1.00 64.20 C ATOM 1493 CZ3 TRP A 596 8.199 -1.563 -1.277 1.00 12.22 C ATOM 1494 CH2 TRP A 596 8.684 -0.302 -1.629 1.00 42.34 C ATOM 0 H TRP A 596 11.717 -7.527 -1.660 1.00 63.13 H new ATOM 0 HA TRP A 596 12.067 -5.456 -3.763 1.00 3.53 H new ATOM 0 HB2 TRP A 596 10.349 -5.291 -1.825 1.00 60.23 H new ATOM 0 HB3 TRP A 596 11.739 -5.122 -0.770 1.00 60.23 H new ATOM 0 HD1 TRP A 596 13.407 -3.083 -2.773 1.00 75.40 H new ATOM 0 HE1 TRP A 596 12.660 -0.624 -2.888 1.00 41.31 H new ATOM 0 HE3 TRP A 596 8.613 -3.656 -1.086 1.00 13.10 H new ATOM 0 HZ2 TRP A 596 10.334 0.843 -2.355 1.00 64.20 H new ATOM 0 HZ3 TRP A 596 7.181 -1.661 -0.929 1.00 12.22 H new ATOM 0 HH2 TRP A 596 8.035 0.557 -1.543 1.00 42.34 H new ATOM 1505 N ILE A 597 14.473 -5.157 -3.226 1.00 65.35 N ATOM 1506 CA ILE A 597 15.868 -5.011 -2.944 1.00 21.11 C ATOM 1507 C ILE A 597 16.096 -3.661 -2.324 1.00 32.11 C ATOM 1508 O ILE A 597 16.244 -2.634 -3.008 1.00 30.42 O ATOM 1509 CB ILE A 597 16.820 -5.266 -4.173 1.00 40.04 C ATOM 1510 CG1 ILE A 597 16.784 -6.741 -4.620 1.00 71.42 C ATOM 1511 CG2 ILE A 597 18.262 -4.887 -3.843 1.00 32.55 C ATOM 1512 CD1 ILE A 597 15.471 -7.216 -5.174 1.00 71.45 C ATOM 0 H ILE A 597 14.174 -4.773 -4.123 1.00 65.35 H new ATOM 0 HA ILE A 597 16.140 -5.799 -2.242 1.00 21.11 H new ATOM 0 HB ILE A 597 16.456 -4.637 -4.985 1.00 40.04 H new ATOM 0 HG12 ILE A 597 17.554 -6.892 -5.377 1.00 71.42 H new ATOM 0 HG13 ILE A 597 17.047 -7.368 -3.768 1.00 71.42 H new ATOM 0 HG21 ILE A 597 18.895 -5.074 -4.710 1.00 32.55 H new ATOM 0 HG22 ILE A 597 18.309 -3.830 -3.580 1.00 32.55 H new ATOM 0 HG23 ILE A 597 18.612 -5.486 -3.002 1.00 32.55 H new ATOM 0 HD11 ILE A 597 15.554 -8.265 -5.458 1.00 71.45 H new ATOM 0 HD12 ILE A 597 14.695 -7.105 -4.417 1.00 71.45 H new ATOM 0 HD13 ILE A 597 15.210 -6.623 -6.050 1.00 71.45 H new ATOM 2107 N ILE A 634 3.915 -7.087 -3.173 1.00 34.42 N ATOM 2108 CA ILE A 634 2.961 -8.092 -3.503 1.00 53.22 C ATOM 2109 C ILE A 634 2.563 -7.980 -4.950 1.00 51.44 C ATOM 2110 O ILE A 634 3.107 -7.171 -5.688 1.00 22.13 O ATOM 2111 CB ILE A 634 1.716 -7.990 -2.595 1.00 41.01 C ATOM 2112 CG1 ILE A 634 1.131 -6.559 -2.628 1.00 61.30 C ATOM 2113 CG2 ILE A 634 2.050 -8.434 -1.163 1.00 63.13 C ATOM 2114 CD1 ILE A 634 -0.093 -6.369 -1.763 1.00 2.31 C ATOM 0 HA ILE A 634 3.423 -9.066 -3.340 1.00 53.22 H new ATOM 0 HB ILE A 634 0.951 -8.666 -2.978 1.00 41.01 H new ATOM 0 HG12 ILE A 634 1.901 -5.857 -2.308 1.00 61.30 H new ATOM 0 HG13 ILE A 634 0.877 -6.306 -3.657 1.00 61.30 H new ATOM 0 HG21 ILE A 634 1.159 -8.354 -0.540 1.00 63.13 H new ATOM 0 HG22 ILE A 634 2.394 -9.468 -1.174 1.00 63.13 H new ATOM 0 HG23 ILE A 634 2.834 -7.795 -0.758 1.00 63.13 H new ATOM 0 HD11 ILE A 634 -0.439 -5.339 -1.844 1.00 2.31 H new ATOM 0 HD12 ILE A 634 -0.882 -7.044 -2.095 1.00 2.31 H new ATOM 0 HD13 ILE A 634 0.158 -6.587 -0.725 1.00 2.31 H new ATOM 2126 N LEU A 635 1.662 -8.798 -5.366 1.00 64.13 N ATOM 2127 CA LEU A 635 1.199 -8.751 -6.712 1.00 1.34 C ATOM 2128 C LEU A 635 -0.304 -8.836 -6.725 1.00 23.43 C ATOM 2129 O LEU A 635 -0.938 -8.735 -5.659 1.00 54.03 O ATOM 2130 CB LEU A 635 1.853 -9.828 -7.612 1.00 43.10 C ATOM 2131 CG LEU A 635 1.637 -11.311 -7.272 1.00 33.23 C ATOM 2132 CD1 LEU A 635 2.032 -12.132 -8.460 1.00 40.12 C ATOM 2133 CD2 LEU A 635 2.494 -11.741 -6.102 1.00 64.03 C ATOM 0 H LEU A 635 1.225 -9.516 -4.788 1.00 64.13 H new ATOM 0 HA LEU A 635 1.504 -7.798 -7.143 1.00 1.34 H new ATOM 0 HB2 LEU A 635 1.497 -9.668 -8.630 1.00 43.10 H new ATOM 0 HB3 LEU A 635 2.927 -9.644 -7.618 1.00 43.10 H new ATOM 0 HG LEU A 635 0.588 -11.454 -7.011 1.00 33.23 H new ATOM 0 HD11 LEU A 635 1.885 -13.189 -8.237 1.00 40.12 H new ATOM 0 HD12 LEU A 635 1.417 -11.853 -9.316 1.00 40.12 H new ATOM 0 HD13 LEU A 635 3.082 -11.953 -8.693 1.00 40.12 H new ATOM 0 HD21 LEU A 635 2.316 -12.795 -5.889 1.00 64.03 H new ATOM 0 HD22 LEU A 635 3.546 -11.593 -6.347 1.00 64.03 H new ATOM 0 HD23 LEU A 635 2.239 -11.145 -5.226 1.00 64.03 H new ATOM 2145 N GLY A 636 -0.878 -8.972 -7.909 1.00 51.05 N ATOM 2146 CA GLY A 636 -2.309 -9.036 -8.036 1.00 21.34 C ATOM 2147 C GLY A 636 -2.880 -10.253 -7.347 1.00 43.23 C ATOM 2148 O GLY A 636 -2.172 -11.254 -7.157 1.00 12.23 O ATOM 0 H GLY A 636 -0.368 -9.039 -8.790 1.00 51.05 H new ATOM 0 HA2 GLY A 636 -2.752 -8.136 -7.610 1.00 21.34 H new ATOM 0 HA3 GLY A 636 -2.580 -9.056 -9.092 1.00 21.34 H new ATOM 2152 N GLU A 637 -4.142 -10.161 -6.992 1.00 15.25 N ATOM 2153 CA GLU A 637 -4.853 -11.172 -6.239 1.00 34.34 C ATOM 2154 C GLU A 637 -4.821 -12.493 -6.984 1.00 10.44 C ATOM 2155 O GLU A 637 -4.343 -13.509 -6.463 1.00 20.52 O ATOM 2156 CB GLU A 637 -6.298 -10.716 -6.055 1.00 64.01 C ATOM 2157 CG GLU A 637 -7.017 -11.385 -4.907 1.00 43.21 C ATOM 2158 CD GLU A 637 -6.372 -11.083 -3.585 1.00 4.42 C ATOM 2159 OE1 GLU A 637 -6.562 -9.969 -3.063 1.00 2.20 O ATOM 2160 OE2 GLU A 637 -5.663 -11.953 -3.044 1.00 74.20 O ATOM 0 H GLU A 637 -4.721 -9.355 -7.227 1.00 15.25 H new ATOM 0 HA GLU A 637 -4.379 -11.310 -5.267 1.00 34.34 H new ATOM 0 HB2 GLU A 637 -6.310 -9.638 -5.897 1.00 64.01 H new ATOM 0 HB3 GLU A 637 -6.848 -10.909 -6.976 1.00 64.01 H new ATOM 0 HG2 GLU A 637 -8.055 -11.054 -4.888 1.00 43.21 H new ATOM 0 HG3 GLU A 637 -7.029 -12.463 -5.066 1.00 43.21 H new ATOM 2167 N HIS A 638 -5.309 -12.475 -8.197 1.00 61.51 N ATOM 2168 CA HIS A 638 -5.342 -13.655 -9.018 1.00 22.34 C ATOM 2169 C HIS A 638 -4.790 -13.318 -10.365 1.00 63.42 C ATOM 2170 O HIS A 638 -5.470 -12.711 -11.200 1.00 34.14 O ATOM 2171 CB HIS A 638 -6.774 -14.208 -9.139 1.00 52.25 C ATOM 2172 CG HIS A 638 -7.395 -14.465 -7.811 1.00 71.31 C ATOM 2173 ND1 HIS A 638 -7.021 -15.309 -6.838 1.00 54.32 N flip ATOM 2174 CD2 HIS A 638 -8.461 -13.762 -7.317 1.00 12.00 C flip ATOM 2175 CE1 HIS A 638 -7.846 -15.131 -5.731 1.00 60.43 C flip ATOM 2176 NE2 HIS A 638 -8.695 -14.177 -6.082 1.00 50.43 N flip ATOM 0 H HIS A 638 -5.694 -11.642 -8.642 1.00 61.51 H new ATOM 0 HA HIS A 638 -4.734 -14.432 -8.555 1.00 22.34 H new ATOM 0 HB2 HIS A 638 -7.389 -13.499 -9.694 1.00 52.25 H new ATOM 0 HB3 HIS A 638 -6.756 -15.134 -9.714 1.00 52.25 H new ATOM 0 HD2 HIS A 638 -9.016 -13.000 -7.844 1.00 12.00 H new ATOM 0 HE1 HIS A 638 -7.803 -15.657 -4.789 1.00 60.43 H new ATOM 0 HE2 HIS A 638 -9.432 -13.810 -5.480 1.00 50.43 H new ATOM 2184 N THR A 639 -3.553 -13.640 -10.565 1.00 65.54 N ATOM 2185 CA THR A 639 -2.932 -13.354 -11.793 1.00 40.32 C ATOM 2186 C THR A 639 -2.209 -14.595 -12.330 1.00 75.54 C ATOM 2187 O THR A 639 -1.242 -15.115 -11.743 1.00 63.24 O ATOM 2188 CB THR A 639 -2.026 -12.085 -11.710 1.00 54.51 C ATOM 2189 OG1 THR A 639 -1.590 -11.710 -13.016 1.00 55.02 O ATOM 2190 CG2 THR A 639 -0.824 -12.283 -10.787 1.00 54.31 C ATOM 0 H THR A 639 -2.958 -14.105 -9.879 1.00 65.54 H new ATOM 0 HA THR A 639 -3.702 -13.101 -12.521 1.00 40.32 H new ATOM 0 HB THR A 639 -2.629 -11.285 -11.281 1.00 54.51 H new ATOM 0 HG1 THR A 639 -0.859 -12.299 -13.298 1.00 55.02 H new ATOM 0 HG21 THR A 639 -0.228 -11.371 -10.766 1.00 54.31 H new ATOM 0 HG22 THR A 639 -1.172 -12.513 -9.780 1.00 54.31 H new ATOM 0 HG23 THR A 639 -0.214 -13.107 -11.156 1.00 54.31 H new ATOM 2198 N LYS A 640 -2.758 -15.112 -13.382 1.00 30.43 N ATOM 2199 CA LYS A 640 -2.246 -16.251 -14.067 1.00 50.45 C ATOM 2200 C LYS A 640 -2.576 -16.073 -15.515 1.00 2.45 C ATOM 2201 O LYS A 640 -3.637 -15.533 -15.833 1.00 64.41 O ATOM 2202 CB LYS A 640 -2.872 -17.546 -13.519 1.00 1.21 C ATOM 2203 CG LYS A 640 -2.413 -18.825 -14.223 1.00 62.15 C ATOM 2204 CD LYS A 640 -2.973 -20.077 -13.555 1.00 72.14 C ATOM 2205 CE LYS A 640 -4.486 -20.115 -13.609 1.00 40.41 C ATOM 2206 NZ LYS A 640 -5.032 -21.319 -12.959 1.00 2.02 N ATOM 0 H LYS A 640 -3.608 -14.736 -13.802 1.00 30.43 H new ATOM 0 HA LYS A 640 -1.169 -16.335 -13.924 1.00 50.45 H new ATOM 0 HB2 LYS A 640 -2.636 -17.627 -12.458 1.00 1.21 H new ATOM 0 HB3 LYS A 640 -3.956 -17.472 -13.600 1.00 1.21 H new ATOM 0 HG2 LYS A 640 -2.729 -18.798 -15.266 1.00 62.15 H new ATOM 0 HG3 LYS A 640 -1.324 -18.869 -14.221 1.00 62.15 H new ATOM 0 HD2 LYS A 640 -2.570 -20.962 -14.046 1.00 72.14 H new ATOM 0 HD3 LYS A 640 -2.645 -20.112 -12.516 1.00 72.14 H new ATOM 0 HE2 LYS A 640 -4.888 -19.226 -13.123 1.00 40.41 H new ATOM 0 HE3 LYS A 640 -4.812 -20.085 -14.649 1.00 40.41 H new ATOM 0 HZ1 LYS A 640 -6.070 -21.305 -13.019 1.00 2.02 H new ATOM 0 HZ2 LYS A 640 -4.669 -22.167 -13.439 1.00 2.02 H new ATOM 0 HZ3 LYS A 640 -4.743 -21.336 -11.960 1.00 2.02 H new ATOM 2220 N LEU A 641 -1.682 -16.440 -16.364 1.00 3.32 N ATOM 2221 CA LEU A 641 -1.910 -16.372 -17.770 1.00 64.22 C ATOM 2222 C LEU A 641 -1.858 -17.760 -18.338 1.00 15.14 C ATOM 2223 O LEU A 641 -0.810 -18.393 -18.338 1.00 3.25 O ATOM 2224 CB LEU A 641 -0.868 -15.486 -18.450 1.00 22.53 C ATOM 2225 CG LEU A 641 -0.998 -15.348 -19.968 1.00 74.33 C ATOM 2226 CD1 LEU A 641 -2.297 -14.668 -20.344 1.00 62.15 C ATOM 2227 CD2 LEU A 641 0.179 -14.599 -20.537 1.00 42.45 C ATOM 0 H LEU A 641 -0.764 -16.799 -16.104 1.00 3.32 H new ATOM 0 HA LEU A 641 -2.891 -15.933 -17.952 1.00 64.22 H new ATOM 0 HB2 LEU A 641 -0.921 -14.491 -18.008 1.00 22.53 H new ATOM 0 HB3 LEU A 641 0.122 -15.883 -18.224 1.00 22.53 H new ATOM 0 HG LEU A 641 -1.007 -16.350 -20.397 1.00 74.33 H new ATOM 0 HD11 LEU A 641 -2.363 -14.583 -21.429 1.00 62.15 H new ATOM 0 HD12 LEU A 641 -3.136 -15.257 -19.975 1.00 62.15 H new ATOM 0 HD13 LEU A 641 -2.329 -13.673 -19.900 1.00 62.15 H new ATOM 0 HD21 LEU A 641 0.067 -14.512 -21.618 1.00 42.45 H new ATOM 0 HD22 LEU A 641 0.225 -13.603 -20.096 1.00 42.45 H new ATOM 0 HD23 LEU A 641 1.098 -15.139 -20.310 1.00 42.45 H new ATOM 2239 N GLU A 642 -2.977 -18.252 -18.747 1.00 62.34 N ATOM 2240 CA GLU A 642 -3.038 -19.527 -19.373 1.00 34.42 C ATOM 2241 C GLU A 642 -2.800 -19.351 -20.845 1.00 31.24 C ATOM 2242 O GLU A 642 -3.468 -18.554 -21.511 1.00 1.25 O ATOM 2243 CB GLU A 642 -4.353 -20.223 -19.082 1.00 23.21 C ATOM 2244 CG GLU A 642 -4.544 -20.499 -17.604 1.00 3.41 C ATOM 2245 CD GLU A 642 -5.813 -21.225 -17.298 1.00 64.23 C ATOM 2246 OE1 GLU A 642 -5.840 -22.468 -17.384 1.00 74.13 O ATOM 2247 OE2 GLU A 642 -6.798 -20.576 -16.919 1.00 43.44 O ATOM 0 H GLU A 642 -3.877 -17.780 -18.656 1.00 62.34 H new ATOM 0 HA GLU A 642 -2.261 -20.175 -18.967 1.00 34.42 H new ATOM 0 HB2 GLU A 642 -5.176 -19.606 -19.443 1.00 23.21 H new ATOM 0 HB3 GLU A 642 -4.394 -21.163 -19.633 1.00 23.21 H new ATOM 0 HG2 GLU A 642 -3.701 -21.086 -17.239 1.00 3.41 H new ATOM 0 HG3 GLU A 642 -4.534 -19.554 -17.061 1.00 3.41 H new ATOM 2254 N VAL A 643 -1.830 -20.040 -21.327 1.00 45.10 N ATOM 2255 CA VAL A 643 -1.396 -19.933 -22.687 1.00 63.11 C ATOM 2256 C VAL A 643 -1.791 -21.167 -23.432 1.00 64.14 C ATOM 2257 O VAL A 643 -1.412 -22.290 -23.065 1.00 71.50 O ATOM 2258 CB VAL A 643 0.134 -19.738 -22.787 1.00 13.00 C ATOM 2259 CG1 VAL A 643 0.565 -19.542 -24.230 1.00 55.04 C ATOM 2260 CG2 VAL A 643 0.609 -18.581 -21.912 1.00 63.23 C ATOM 0 H VAL A 643 -1.297 -20.714 -20.778 1.00 45.10 H new ATOM 0 HA VAL A 643 -1.874 -19.057 -23.125 1.00 63.11 H new ATOM 0 HB VAL A 643 0.606 -20.647 -22.414 1.00 13.00 H new ATOM 0 HG11 VAL A 643 1.646 -19.407 -24.272 1.00 55.04 H new ATOM 0 HG12 VAL A 643 0.286 -20.418 -24.815 1.00 55.04 H new ATOM 0 HG13 VAL A 643 0.073 -18.660 -24.640 1.00 55.04 H new ATOM 0 HG21 VAL A 643 1.689 -18.473 -22.007 1.00 63.23 H new ATOM 0 HG22 VAL A 643 0.123 -17.659 -22.232 1.00 63.23 H new ATOM 0 HG23 VAL A 643 0.355 -18.783 -20.872 1.00 63.23 H new ATOM 2270 N ILE A 644 -2.552 -20.971 -24.454 1.00 3.11 N ATOM 2271 CA ILE A 644 -3.028 -22.049 -25.231 1.00 3.54 C ATOM 2272 C ILE A 644 -2.443 -21.967 -26.620 1.00 42.43 C ATOM 2273 O ILE A 644 -2.488 -20.912 -27.269 1.00 53.21 O ATOM 2274 CB ILE A 644 -4.584 -22.092 -25.299 1.00 22.42 C ATOM 2275 CG1 ILE A 644 -5.203 -22.168 -23.888 1.00 62.23 C ATOM 2276 CG2 ILE A 644 -5.052 -23.279 -26.129 1.00 2.42 C ATOM 2277 CD1 ILE A 644 -5.336 -20.855 -23.157 1.00 30.00 C ATOM 0 H ILE A 644 -2.860 -20.051 -24.771 1.00 3.11 H new ATOM 0 HA ILE A 644 -2.708 -22.972 -24.748 1.00 3.54 H new ATOM 0 HB ILE A 644 -4.918 -21.170 -25.774 1.00 22.42 H new ATOM 0 HG12 ILE A 644 -6.192 -22.618 -23.970 1.00 62.23 H new ATOM 0 HG13 ILE A 644 -4.596 -22.840 -23.281 1.00 62.23 H new ATOM 0 HG21 ILE A 644 -6.141 -23.291 -26.164 1.00 2.42 H new ATOM 0 HG22 ILE A 644 -4.657 -23.193 -27.141 1.00 2.42 H new ATOM 0 HG23 ILE A 644 -4.693 -24.203 -25.677 1.00 2.42 H new ATOM 0 HD11 ILE A 644 -5.782 -21.027 -22.178 1.00 30.00 H new ATOM 0 HD12 ILE A 644 -4.350 -20.406 -23.033 1.00 30.00 H new ATOM 0 HD13 ILE A 644 -5.972 -20.181 -23.732 1.00 30.00 H new ATOM 2289 N ILE A 645 -1.873 -23.057 -27.048 1.00 52.31 N ATOM 2290 CA ILE A 645 -1.282 -23.176 -28.345 1.00 51.40 C ATOM 2291 C ILE A 645 -1.998 -24.237 -29.145 1.00 32.02 C ATOM 2292 O ILE A 645 -2.193 -25.360 -28.671 1.00 2.11 O ATOM 2293 CB ILE A 645 0.266 -23.463 -28.321 1.00 60.50 C ATOM 2294 CG1 ILE A 645 0.727 -24.406 -27.160 1.00 74.22 C ATOM 2295 CG2 ILE A 645 1.053 -22.179 -28.322 1.00 75.24 C ATOM 2296 CD1 ILE A 645 0.848 -23.757 -25.786 1.00 44.41 C ATOM 0 H ILE A 645 -1.806 -23.907 -26.489 1.00 52.31 H new ATOM 0 HA ILE A 645 -1.398 -22.202 -28.821 1.00 51.40 H new ATOM 0 HB ILE A 645 0.476 -24.010 -29.240 1.00 60.50 H new ATOM 0 HG12 ILE A 645 0.022 -25.234 -27.089 1.00 74.22 H new ATOM 0 HG13 ILE A 645 1.694 -24.832 -27.426 1.00 74.22 H new ATOM 0 HG21 ILE A 645 2.119 -22.406 -28.305 1.00 75.24 H new ATOM 0 HG22 ILE A 645 0.817 -21.609 -29.220 1.00 75.24 H new ATOM 0 HG23 ILE A 645 0.793 -21.592 -27.441 1.00 75.24 H new ATOM 0 HD11 ILE A 645 1.174 -24.501 -25.059 1.00 44.41 H new ATOM 0 HD12 ILE A 645 1.577 -22.948 -25.829 1.00 44.41 H new ATOM 0 HD13 ILE A 645 -0.120 -23.357 -25.486 1.00 44.41 H new