USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 822 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 533 THR OG1 : rot -139:sc= 0.465 USER MOD Set 1.2: A 657 HIS :FLIP no HD1:sc= -1.46 F(o=-1.5,f=-0.99) USER MOD Single : A 536 CYS SG : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 HIS : no HD1:sc= -0.0515 X(o=-0.052,f=0) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 544 SER OG : rot -26:sc= 0.451 USER MOD Single : A 548 MET CE :methyl 155:sc= -0.197 (180deg=-1.63) USER MOD Single : A 551 LYS NZ :NH3+ -108:sc= 1.15 (180deg=-0.415) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 556 SER OG : rot 180:sc= 0.00958 USER MOD Single : A 561 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 568 THR OG1 : rot -140:sc= 0.192 USER MOD Single : A 572 THR OG1 : rot -66:sc= 1.27 USER MOD Single : A 574 LYS NZ :NH3+ 179:sc= 1.06 (180deg=1.06) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ -146:sc= 2.19 (180deg=0.494) USER MOD Single : A 591 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 594 THR OG1 : rot 100:sc= 0.169 USER MOD Single : A 596 LYS NZ :NH3+ -169:sc= 0.393 (180deg=0.284) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -164:sc= 0.428 (180deg=-0.157) USER MOD Single : A 613 ASN : amide:sc= -0.0504 K(o=-0.05,f=-3.2!) USER MOD Single : A 622 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.09) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.873 -18.423 2.025 1.00 24.21 N ATOM 19 CA ALA A 529 11.474 -19.587 1.399 1.00 72.13 C ATOM 20 C ALA A 529 10.938 -19.701 -0.039 1.00 53.40 C ATOM 21 O ALA A 529 9.782 -19.388 -0.301 1.00 53.43 O ATOM 22 CB ALA A 529 11.117 -20.821 2.200 1.00 11.03 C ATOM 0 HA ALA A 529 12.559 -19.492 1.371 1.00 72.13 H new ATOM 0 HB1 ALA A 529 11.565 -21.699 1.735 1.00 11.03 H new ATOM 0 HB2 ALA A 529 11.495 -20.716 3.217 1.00 11.03 H new ATOM 0 HB3 ALA A 529 10.034 -20.937 2.225 1.00 11.03 H new ATOM 28 N GLY A 530 11.790 -20.115 -0.967 1.00 1.03 N ATOM 29 CA GLY A 530 11.417 -20.119 -2.369 1.00 43.23 C ATOM 30 C GLY A 530 10.462 -21.189 -2.865 1.00 4.31 C ATOM 31 O GLY A 530 10.231 -22.201 -2.215 1.00 71.32 O ATOM 0 H GLY A 530 12.734 -20.449 -0.774 1.00 1.03 H new ATOM 0 HA2 GLY A 530 10.974 -19.149 -2.596 1.00 43.23 H new ATOM 0 HA3 GLY A 530 12.333 -20.196 -2.955 1.00 43.23 H new ATOM 35 N ILE A 531 9.966 -20.936 -4.070 1.00 10.41 N ATOM 36 CA ILE A 531 9.099 -21.841 -4.825 1.00 30.34 C ATOM 37 C ILE A 531 9.878 -23.110 -5.155 1.00 13.40 C ATOM 38 O ILE A 531 11.061 -23.015 -5.471 1.00 54.13 O ATOM 39 CB ILE A 531 8.653 -21.127 -6.173 1.00 12.41 C ATOM 40 CG1 ILE A 531 7.283 -20.452 -5.997 1.00 52.45 C ATOM 41 CG2 ILE A 531 8.612 -22.088 -7.374 1.00 0.52 C ATOM 42 CD1 ILE A 531 7.303 -19.186 -5.119 1.00 12.23 C ATOM 0 H ILE A 531 10.161 -20.067 -4.568 1.00 10.41 H new ATOM 0 HA ILE A 531 8.217 -22.094 -4.237 1.00 30.34 H new ATOM 0 HB ILE A 531 9.410 -20.373 -6.389 1.00 12.41 H new ATOM 0 HG12 ILE A 531 6.892 -20.191 -6.980 1.00 52.45 H new ATOM 0 HG13 ILE A 531 6.591 -21.172 -5.559 1.00 52.45 H new ATOM 0 HG21 ILE A 531 8.301 -21.543 -8.265 1.00 0.52 H new ATOM 0 HG22 ILE A 531 9.603 -22.512 -7.535 1.00 0.52 H new ATOM 0 HG23 ILE A 531 7.903 -22.891 -7.173 1.00 0.52 H new ATOM 0 HD11 ILE A 531 6.296 -18.776 -5.049 1.00 12.23 H new ATOM 0 HD12 ILE A 531 7.661 -19.441 -4.122 1.00 12.23 H new ATOM 0 HD13 ILE A 531 7.966 -18.445 -5.564 1.00 12.23 H new ATOM 54 N PHE A 532 9.214 -24.262 -5.130 1.00 33.53 N ATOM 55 CA PHE A 532 9.817 -25.535 -5.556 1.00 53.45 C ATOM 56 C PHE A 532 9.113 -26.065 -6.790 1.00 73.14 C ATOM 57 O PHE A 532 7.887 -26.091 -6.850 1.00 21.02 O ATOM 58 CB PHE A 532 9.694 -26.577 -4.466 1.00 14.01 C ATOM 59 CG PHE A 532 10.570 -26.309 -3.294 1.00 4.14 C ATOM 60 CD1 PHE A 532 10.146 -25.466 -2.253 1.00 4.42 C ATOM 61 CD2 PHE A 532 11.851 -26.883 -3.233 1.00 2.21 C ATOM 62 CE1 PHE A 532 10.994 -25.198 -1.163 1.00 33.13 C ATOM 63 CE2 PHE A 532 12.694 -26.627 -2.146 1.00 64.21 C ATOM 64 CZ PHE A 532 12.270 -25.788 -1.108 1.00 45.14 C ATOM 0 H PHE A 532 8.247 -24.347 -4.817 1.00 33.53 H new ATOM 0 HA PHE A 532 10.868 -25.344 -5.772 1.00 53.45 H new ATOM 0 HB2 PHE A 532 8.657 -26.623 -4.133 1.00 14.01 H new ATOM 0 HB3 PHE A 532 9.940 -27.555 -4.879 1.00 14.01 H new ATOM 0 HD1 PHE A 532 9.163 -25.021 -2.290 1.00 4.42 H new ATOM 0 HD2 PHE A 532 12.188 -27.527 -4.032 1.00 2.21 H new ATOM 0 HE1 PHE A 532 10.666 -24.541 -0.371 1.00 33.13 H new ATOM 0 HE2 PHE A 532 13.675 -27.078 -2.107 1.00 64.21 H new ATOM 0 HZ PHE A 532 12.921 -25.594 -0.268 1.00 45.14 H new ATOM 74 N THR A 533 9.884 -26.475 -7.779 1.00 72.44 N ATOM 75 CA THR A 533 9.332 -26.885 -9.067 1.00 61.15 C ATOM 76 C THR A 533 10.343 -27.815 -9.738 1.00 21.13 C ATOM 77 O THR A 533 11.482 -27.900 -9.282 1.00 11.13 O ATOM 78 CB THR A 533 9.070 -25.619 -9.923 1.00 75.30 C ATOM 79 OG1 THR A 533 8.384 -25.971 -11.128 1.00 45.41 O ATOM 80 CG2 THR A 533 10.356 -24.925 -10.273 1.00 25.21 C ATOM 0 H THR A 533 10.900 -26.535 -7.719 1.00 72.44 H new ATOM 0 HA THR A 533 8.387 -27.416 -8.949 1.00 61.15 H new ATOM 0 HB THR A 533 8.454 -24.941 -9.332 1.00 75.30 H new ATOM 0 HG1 THR A 533 8.760 -25.465 -11.878 1.00 45.41 H new ATOM 0 HG21 THR A 533 10.141 -24.041 -10.873 1.00 25.21 H new ATOM 0 HG22 THR A 533 10.869 -24.627 -9.359 1.00 25.21 H new ATOM 0 HG23 THR A 533 10.993 -25.603 -10.841 1.00 25.21 H new ATOM 88 N PHE A 534 9.949 -28.525 -10.786 1.00 34.33 N ATOM 89 CA PHE A 534 10.860 -29.447 -11.471 1.00 75.31 C ATOM 90 C PHE A 534 11.395 -28.802 -12.734 1.00 4.54 C ATOM 91 O PHE A 534 10.986 -27.709 -13.104 1.00 22.31 O ATOM 92 CB PHE A 534 10.143 -30.749 -11.835 1.00 54.14 C ATOM 93 CG PHE A 534 9.793 -31.625 -10.652 1.00 32.24 C ATOM 94 CD1 PHE A 534 10.150 -31.298 -9.325 1.00 34.31 C ATOM 95 CD2 PHE A 534 9.119 -32.820 -10.885 1.00 22.10 C ATOM 96 CE1 PHE A 534 9.793 -32.149 -8.254 1.00 60.20 C ATOM 97 CE2 PHE A 534 8.763 -33.688 -9.827 1.00 51.13 C ATOM 98 CZ PHE A 534 9.080 -33.343 -8.510 1.00 65.10 C ATOM 0 H PHE A 534 9.010 -28.485 -11.183 1.00 34.33 H new ATOM 0 HA PHE A 534 11.684 -29.675 -10.795 1.00 75.31 H new ATOM 0 HB2 PHE A 534 9.228 -30.506 -12.374 1.00 54.14 H new ATOM 0 HB3 PHE A 534 10.774 -31.318 -12.518 1.00 54.14 H new ATOM 0 HD1 PHE A 534 10.700 -30.390 -9.127 1.00 34.31 H new ATOM 0 HD2 PHE A 534 8.862 -33.091 -11.898 1.00 22.10 H new ATOM 0 HE1 PHE A 534 10.064 -31.888 -7.242 1.00 60.20 H new ATOM 0 HE2 PHE A 534 8.248 -34.614 -10.036 1.00 51.13 H new ATOM 0 HZ PHE A 534 8.782 -33.984 -7.693 1.00 65.10 H new ATOM 108 N GLU A 535 12.332 -29.487 -13.373 1.00 55.41 N ATOM 109 CA GLU A 535 12.967 -29.005 -14.599 1.00 52.13 C ATOM 110 C GLU A 535 12.057 -29.020 -15.823 1.00 12.00 C ATOM 111 O GLU A 535 11.985 -28.042 -16.564 1.00 10.21 O ATOM 112 CB GLU A 535 14.154 -29.905 -14.905 1.00 74.10 C ATOM 113 CG GLU A 535 15.454 -29.453 -14.265 1.00 70.01 C ATOM 114 CD GLU A 535 16.653 -30.208 -14.819 1.00 51.24 C ATOM 115 OE1 GLU A 535 16.493 -31.386 -15.206 1.00 34.34 O ATOM 116 OE2 GLU A 535 17.768 -29.652 -14.813 1.00 23.45 O ATOM 0 H GLU A 535 12.676 -30.394 -13.059 1.00 55.41 H new ATOM 0 HA GLU A 535 13.246 -27.967 -14.415 1.00 52.13 H new ATOM 0 HB2 GLU A 535 13.927 -30.916 -14.567 1.00 74.10 H new ATOM 0 HB3 GLU A 535 14.291 -29.954 -15.985 1.00 74.10 H new ATOM 0 HG2 GLU A 535 15.589 -28.385 -14.433 1.00 70.01 H new ATOM 0 HG3 GLU A 535 15.398 -29.602 -13.187 1.00 70.01 H new ATOM 123 N CYS A 536 11.392 -30.143 -16.050 1.00 62.01 N ATOM 124 CA CYS A 536 10.575 -30.343 -17.241 1.00 64.10 C ATOM 125 C CYS A 536 9.166 -30.692 -16.809 1.00 42.15 C ATOM 126 O CYS A 536 8.879 -30.753 -15.612 1.00 3.35 O ATOM 127 CB CYS A 536 11.168 -31.484 -18.077 1.00 42.54 C ATOM 128 SG CYS A 536 12.906 -31.218 -18.512 1.00 14.30 S ATOM 0 H CYS A 536 11.402 -30.941 -15.415 1.00 62.01 H new ATOM 0 HA CYS A 536 10.557 -29.436 -17.845 1.00 64.10 H new ATOM 0 HB2 CYS A 536 11.077 -32.418 -17.522 1.00 42.54 H new ATOM 0 HB3 CYS A 536 10.584 -31.598 -18.991 1.00 42.54 H new ATOM 0 HG CYS A 536 13.336 -32.223 -19.215 1.00 14.30 H new ATOM 134 N ASP A 537 8.299 -30.924 -17.778 1.00 64.41 N ATOM 135 CA ASP A 537 6.917 -31.330 -17.526 1.00 11.22 C ATOM 136 C ASP A 537 6.608 -32.701 -18.131 1.00 74.24 C ATOM 137 O ASP A 537 5.664 -33.349 -17.711 1.00 61.35 O ATOM 138 CB ASP A 537 5.948 -30.280 -18.092 1.00 72.13 C ATOM 139 CG ASP A 537 6.037 -30.141 -19.621 1.00 75.14 C ATOM 140 OD1 ASP A 537 7.109 -30.434 -20.210 1.00 23.23 O ATOM 141 OD2 ASP A 537 5.054 -29.666 -20.221 1.00 54.31 O ATOM 0 H ASP A 537 8.529 -30.837 -18.768 1.00 64.41 H new ATOM 0 HA ASP A 537 6.787 -31.405 -16.446 1.00 11.22 H new ATOM 0 HB2 ASP A 537 4.928 -30.549 -17.816 1.00 72.13 H new ATOM 0 HB3 ASP A 537 6.159 -29.314 -17.632 1.00 72.13 H new ATOM 146 N THR A 538 7.437 -33.150 -19.068 1.00 33.15 N ATOM 147 CA THR A 538 7.277 -34.419 -19.753 1.00 74.45 C ATOM 148 C THR A 538 8.674 -35.020 -19.933 1.00 1.11 C ATOM 149 O THR A 538 9.607 -34.329 -20.346 1.00 0.43 O ATOM 150 CB THR A 538 6.641 -34.219 -21.154 1.00 13.52 C ATOM 151 OG1 THR A 538 5.518 -33.337 -21.045 1.00 71.34 O ATOM 152 CG2 THR A 538 6.155 -35.539 -21.738 1.00 54.13 C ATOM 0 H THR A 538 8.256 -32.626 -19.376 1.00 33.15 H new ATOM 0 HA THR A 538 6.625 -35.069 -19.169 1.00 74.45 H new ATOM 0 HB THR A 538 7.405 -33.801 -21.810 1.00 13.52 H new ATOM 0 HG1 THR A 538 5.116 -33.208 -21.929 1.00 71.34 H new ATOM 0 HG21 THR A 538 5.715 -35.363 -22.720 1.00 54.13 H new ATOM 0 HG22 THR A 538 6.996 -36.225 -21.835 1.00 54.13 H new ATOM 0 HG23 THR A 538 5.405 -35.975 -21.078 1.00 54.13 H new ATOM 160 N ILE A 539 8.813 -36.288 -19.591 1.00 53.21 N ATOM 161 CA ILE A 539 10.054 -37.049 -19.734 1.00 50.20 C ATOM 162 C ILE A 539 9.694 -38.414 -20.314 1.00 12.43 C ATOM 163 O ILE A 539 8.557 -38.861 -20.206 1.00 44.14 O ATOM 164 CB ILE A 539 10.767 -37.212 -18.342 1.00 12.00 C ATOM 165 CG1 ILE A 539 12.271 -37.518 -18.507 1.00 52.34 C ATOM 166 CG2 ILE A 539 10.011 -38.202 -17.412 1.00 22.14 C ATOM 167 CD1 ILE A 539 12.722 -38.852 -17.937 1.00 42.24 C ATOM 0 H ILE A 539 8.050 -36.837 -19.195 1.00 53.21 H new ATOM 0 HA ILE A 539 10.745 -36.526 -20.395 1.00 50.20 H new ATOM 0 HB ILE A 539 10.722 -36.253 -17.826 1.00 12.00 H new ATOM 0 HG12 ILE A 539 12.517 -37.492 -19.569 1.00 52.34 H new ATOM 0 HG13 ILE A 539 12.843 -36.723 -18.028 1.00 52.34 H new ATOM 0 HG21 ILE A 539 10.539 -38.284 -16.462 1.00 22.14 H new ATOM 0 HG22 ILE A 539 9.000 -37.835 -17.235 1.00 22.14 H new ATOM 0 HG23 ILE A 539 9.963 -39.182 -17.886 1.00 22.14 H new ATOM 0 HD11 ILE A 539 13.792 -38.975 -18.102 1.00 42.24 H new ATOM 0 HD12 ILE A 539 12.514 -38.880 -16.867 1.00 42.24 H new ATOM 0 HD13 ILE A 539 12.184 -39.660 -18.432 1.00 42.24 H new ATOM 179 N HIS A 540 10.673 -39.093 -20.882 1.00 71.25 N ATOM 180 CA HIS A 540 10.502 -40.482 -21.299 1.00 21.25 C ATOM 181 C HIS A 540 11.593 -41.280 -20.616 1.00 74.42 C ATOM 182 O HIS A 540 12.770 -40.956 -20.769 1.00 74.41 O ATOM 183 CB HIS A 540 10.645 -40.661 -22.816 1.00 74.21 C ATOM 184 CG HIS A 540 9.437 -40.239 -23.600 1.00 11.32 C ATOM 185 ND1 HIS A 540 8.637 -41.130 -24.332 1.00 42.25 N ATOM 186 CD2 HIS A 540 8.870 -39.020 -23.809 1.00 62.35 C ATOM 187 CE1 HIS A 540 7.665 -40.445 -24.919 1.00 55.23 C ATOM 188 NE2 HIS A 540 7.792 -39.179 -24.624 1.00 43.44 N ATOM 0 H HIS A 540 11.599 -38.709 -21.068 1.00 71.25 H new ATOM 0 HA HIS A 540 9.500 -40.813 -21.027 1.00 21.25 H new ATOM 0 HB2 HIS A 540 11.506 -40.087 -23.159 1.00 74.21 H new ATOM 0 HB3 HIS A 540 10.855 -41.709 -23.029 1.00 74.21 H new ATOM 0 HD2 HIS A 540 9.217 -38.084 -23.397 1.00 62.35 H new ATOM 0 HE1 HIS A 540 6.891 -40.867 -25.542 1.00 55.23 H new ATOM 0 HE2 HIS A 540 7.182 -38.430 -24.952 1.00 43.44 H new ATOM 196 N VAL A 541 11.216 -42.324 -19.900 1.00 72.10 N ATOM 197 CA VAL A 541 12.196 -43.292 -19.390 1.00 73.31 C ATOM 198 C VAL A 541 11.854 -44.625 -20.011 1.00 32.04 C ATOM 199 O VAL A 541 10.841 -44.752 -20.663 1.00 25.35 O ATOM 200 CB VAL A 541 12.247 -43.403 -17.823 1.00 33.32 C ATOM 201 CG1 VAL A 541 12.727 -42.115 -17.231 1.00 12.11 C ATOM 202 CG2 VAL A 541 10.890 -43.783 -17.195 1.00 35.25 C ATOM 0 H VAL A 541 10.248 -42.531 -19.655 1.00 72.10 H new ATOM 0 HA VAL A 541 13.194 -42.951 -19.666 1.00 73.31 H new ATOM 0 HB VAL A 541 12.943 -44.210 -17.594 1.00 33.32 H new ATOM 0 HG11 VAL A 541 12.758 -42.203 -16.145 1.00 12.11 H new ATOM 0 HG12 VAL A 541 13.726 -41.892 -17.606 1.00 12.11 H new ATOM 0 HG13 VAL A 541 12.047 -41.310 -17.510 1.00 12.11 H new ATOM 0 HG21 VAL A 541 10.994 -43.843 -16.112 1.00 35.25 H new ATOM 0 HG22 VAL A 541 10.148 -43.025 -17.447 1.00 35.25 H new ATOM 0 HG23 VAL A 541 10.568 -44.750 -17.582 1.00 35.25 H new ATOM 212 N SER A 542 12.703 -45.608 -19.804 1.00 54.42 N ATOM 213 CA SER A 542 12.460 -46.967 -20.259 1.00 0.11 C ATOM 214 C SER A 542 12.881 -47.779 -19.066 1.00 21.44 C ATOM 215 O SER A 542 13.698 -47.314 -18.305 1.00 41.32 O ATOM 216 CB SER A 542 13.323 -47.306 -21.473 1.00 71.40 C ATOM 217 OG SER A 542 12.986 -46.479 -22.575 1.00 21.44 O ATOM 0 H SER A 542 13.589 -45.490 -19.312 1.00 54.42 H new ATOM 0 HA SER A 542 11.432 -47.143 -20.576 1.00 0.11 H new ATOM 0 HB2 SER A 542 14.376 -47.177 -21.224 1.00 71.40 H new ATOM 0 HB3 SER A 542 13.185 -48.353 -21.742 1.00 71.40 H new ATOM 0 HG SER A 542 13.550 -46.710 -23.342 1.00 21.44 H new ATOM 223 N GLU A 543 12.340 -48.961 -18.894 1.00 23.14 N ATOM 224 CA GLU A 543 12.651 -49.832 -17.753 1.00 33.04 C ATOM 225 C GLU A 543 14.148 -50.080 -17.587 1.00 74.20 C ATOM 226 O GLU A 543 14.680 -50.083 -16.474 1.00 64.05 O ATOM 227 CB GLU A 543 11.929 -51.184 -17.905 1.00 12.21 C ATOM 228 CG GLU A 543 11.083 -51.318 -19.187 1.00 61.33 C ATOM 229 CD GLU A 543 11.932 -51.259 -20.469 1.00 41.12 C ATOM 230 OE1 GLU A 543 13.007 -51.893 -20.523 1.00 11.11 O ATOM 231 OE2 GLU A 543 11.641 -50.370 -21.303 1.00 51.34 O ATOM 0 H GLU A 543 11.662 -49.363 -19.542 1.00 23.14 H new ATOM 0 HA GLU A 543 12.302 -49.312 -16.861 1.00 33.04 H new ATOM 0 HB2 GLU A 543 12.672 -51.982 -17.890 1.00 12.21 H new ATOM 0 HB3 GLU A 543 11.282 -51.335 -17.041 1.00 12.21 H new ATOM 0 HG2 GLU A 543 10.538 -52.262 -19.160 1.00 61.33 H new ATOM 0 HG3 GLU A 543 10.340 -50.521 -19.212 1.00 61.33 H new ATOM 238 N SER A 544 14.829 -50.213 -18.715 1.00 33.34 N ATOM 239 CA SER A 544 16.266 -50.492 -18.764 1.00 23.04 C ATOM 240 C SER A 544 17.126 -49.382 -18.154 1.00 1.33 C ATOM 241 O SER A 544 18.328 -49.561 -17.952 1.00 10.21 O ATOM 242 CB SER A 544 16.692 -50.715 -20.217 1.00 10.13 C ATOM 243 OG SER A 544 18.069 -51.046 -20.302 1.00 22.10 O ATOM 0 H SER A 544 14.399 -50.130 -19.636 1.00 33.34 H new ATOM 0 HA SER A 544 16.430 -51.386 -18.163 1.00 23.04 H new ATOM 0 HB2 SER A 544 16.095 -51.515 -20.655 1.00 10.13 H new ATOM 0 HB3 SER A 544 16.495 -49.815 -20.799 1.00 10.13 H new ATOM 0 HG SER A 544 18.543 -50.673 -19.530 1.00 22.10 H new ATOM 249 N ILE A 545 16.522 -48.241 -17.850 1.00 61.24 N ATOM 250 CA ILE A 545 17.228 -47.152 -17.197 1.00 71.53 C ATOM 251 C ILE A 545 17.590 -47.543 -15.760 1.00 1.32 C ATOM 252 O ILE A 545 18.554 -47.023 -15.186 1.00 52.33 O ATOM 253 CB ILE A 545 16.344 -45.873 -17.176 1.00 53.20 C ATOM 254 CG1 ILE A 545 17.218 -44.641 -16.936 1.00 5.33 C ATOM 255 CG2 ILE A 545 15.193 -46.000 -16.126 1.00 72.14 C ATOM 256 CD1 ILE A 545 16.439 -43.385 -16.678 1.00 53.54 C ATOM 0 H ILE A 545 15.540 -48.047 -18.047 1.00 61.24 H new ATOM 0 HA ILE A 545 18.141 -46.949 -17.757 1.00 71.53 H new ATOM 0 HB ILE A 545 15.863 -45.756 -18.147 1.00 53.20 H new ATOM 0 HG12 ILE A 545 17.873 -44.832 -16.086 1.00 5.33 H new ATOM 0 HG13 ILE A 545 17.859 -44.488 -17.804 1.00 5.33 H new ATOM 0 HG21 ILE A 545 14.591 -45.091 -16.134 1.00 72.14 H new ATOM 0 HG22 ILE A 545 14.564 -46.854 -16.377 1.00 72.14 H new ATOM 0 HG23 ILE A 545 15.620 -46.144 -15.134 1.00 72.14 H new ATOM 0 HD11 ILE A 545 17.128 -42.556 -16.517 1.00 53.54 H new ATOM 0 HD12 ILE A 545 15.804 -43.168 -17.537 1.00 53.54 H new ATOM 0 HD13 ILE A 545 15.818 -43.518 -15.792 1.00 53.54 H new ATOM 268 N GLY A 546 16.801 -48.426 -15.159 1.00 55.53 N ATOM 269 CA GLY A 546 17.014 -48.784 -13.775 1.00 33.53 C ATOM 270 C GLY A 546 16.418 -47.796 -12.807 1.00 73.35 C ATOM 271 O GLY A 546 15.546 -48.125 -12.009 1.00 54.01 O ATOM 0 H GLY A 546 16.017 -48.899 -15.609 1.00 55.53 H new ATOM 0 HA2 GLY A 546 16.583 -49.768 -13.591 1.00 33.53 H new ATOM 0 HA3 GLY A 546 18.085 -48.865 -13.588 1.00 33.53 H new ATOM 275 N VAL A 547 16.934 -46.581 -12.848 1.00 54.43 N ATOM 276 CA VAL A 547 16.518 -45.536 -11.927 1.00 22.33 C ATOM 277 C VAL A 547 16.259 -44.233 -12.676 1.00 12.42 C ATOM 278 O VAL A 547 17.138 -43.691 -13.338 1.00 52.35 O ATOM 279 CB VAL A 547 17.593 -45.337 -10.819 1.00 23.13 C ATOM 280 CG1 VAL A 547 17.251 -44.152 -9.912 1.00 40.13 C ATOM 281 CG2 VAL A 547 17.712 -46.607 -9.945 1.00 62.53 C ATOM 0 H VAL A 547 17.649 -46.291 -13.515 1.00 54.43 H new ATOM 0 HA VAL A 547 15.586 -45.840 -11.450 1.00 22.33 H new ATOM 0 HB VAL A 547 18.539 -45.139 -11.323 1.00 23.13 H new ATOM 0 HG11 VAL A 547 18.023 -44.042 -9.150 1.00 40.13 H new ATOM 0 HG12 VAL A 547 17.198 -43.241 -10.508 1.00 40.13 H new ATOM 0 HG13 VAL A 547 16.289 -44.328 -9.431 1.00 40.13 H new ATOM 0 HG21 VAL A 547 18.468 -46.450 -9.176 1.00 62.53 H new ATOM 0 HG22 VAL A 547 16.752 -46.815 -9.473 1.00 62.53 H new ATOM 0 HG23 VAL A 547 18.000 -47.453 -10.569 1.00 62.53 H new ATOM 291 N MET A 548 15.034 -43.742 -12.560 1.00 51.43 N ATOM 292 CA MET A 548 14.621 -42.481 -13.173 1.00 11.35 C ATOM 293 C MET A 548 14.998 -41.356 -12.203 1.00 61.43 C ATOM 294 O MET A 548 15.086 -41.588 -10.990 1.00 61.14 O ATOM 295 CB MET A 548 13.103 -42.489 -13.453 1.00 3.21 C ATOM 296 CG MET A 548 12.282 -41.944 -12.309 1.00 21.45 C ATOM 297 SD MET A 548 11.907 -40.165 -12.428 1.00 2.44 S ATOM 298 CE MET A 548 11.003 -40.064 -13.963 1.00 74.44 C ATOM 0 H MET A 548 14.292 -44.207 -12.036 1.00 51.43 H new ATOM 0 HA MET A 548 15.121 -42.334 -14.130 1.00 11.35 H new ATOM 0 HB2 MET A 548 12.903 -41.900 -14.348 1.00 3.21 H new ATOM 0 HB3 MET A 548 12.785 -43.510 -13.665 1.00 3.21 H new ATOM 0 HG2 MET A 548 11.344 -42.497 -12.256 1.00 21.45 H new ATOM 0 HG3 MET A 548 12.815 -42.128 -11.376 1.00 21.45 H new ATOM 0 HE1 MET A 548 10.355 -39.188 -13.946 1.00 74.44 H new ATOM 0 HE2 MET A 548 11.704 -39.981 -14.793 1.00 74.44 H new ATOM 0 HE3 MET A 548 10.397 -40.961 -14.088 1.00 74.44 H new ATOM 308 N GLU A 549 15.226 -40.153 -12.714 1.00 62.31 N ATOM 309 CA GLU A 549 15.445 -39.001 -11.840 1.00 62.12 C ATOM 310 C GLU A 549 14.697 -37.764 -12.260 1.00 70.12 C ATOM 311 O GLU A 549 14.616 -37.407 -13.436 1.00 53.23 O ATOM 312 CB GLU A 549 16.936 -38.642 -11.700 1.00 10.03 C ATOM 313 CG GLU A 549 17.373 -38.507 -10.266 1.00 13.40 C ATOM 314 CD GLU A 549 18.881 -38.344 -10.104 1.00 60.01 C ATOM 315 OE1 GLU A 549 19.542 -37.840 -11.037 1.00 62.12 O ATOM 316 OE2 GLU A 549 19.391 -38.643 -8.996 1.00 32.40 O ATOM 0 H GLU A 549 15.264 -39.948 -13.712 1.00 62.31 H new ATOM 0 HA GLU A 549 15.051 -39.328 -10.878 1.00 62.12 H new ATOM 0 HB2 GLU A 549 17.537 -39.410 -12.187 1.00 10.03 H new ATOM 0 HB3 GLU A 549 17.130 -37.706 -12.224 1.00 10.03 H new ATOM 0 HG2 GLU A 549 16.872 -37.647 -9.821 1.00 13.40 H new ATOM 0 HG3 GLU A 549 17.049 -39.387 -9.711 1.00 13.40 H new ATOM 323 N VAL A 550 14.217 -37.074 -11.243 1.00 43.55 N ATOM 324 CA VAL A 550 13.592 -35.783 -11.386 1.00 1.22 C ATOM 325 C VAL A 550 14.553 -34.833 -10.729 1.00 11.24 C ATOM 326 O VAL A 550 14.995 -35.095 -9.622 1.00 5.11 O ATOM 327 CB VAL A 550 12.225 -35.762 -10.638 1.00 50.15 C ATOM 328 CG1 VAL A 550 12.011 -34.468 -9.890 1.00 63.52 C ATOM 329 CG2 VAL A 550 11.137 -36.019 -11.593 1.00 3.42 C ATOM 0 H VAL A 550 14.254 -37.405 -10.279 1.00 43.55 H new ATOM 0 HA VAL A 550 13.391 -35.527 -12.426 1.00 1.22 H new ATOM 0 HB VAL A 550 12.230 -36.553 -9.888 1.00 50.15 H new ATOM 0 HG11 VAL A 550 11.046 -34.496 -9.383 1.00 63.52 H new ATOM 0 HG12 VAL A 550 12.804 -34.338 -9.154 1.00 63.52 H new ATOM 0 HG13 VAL A 550 12.028 -33.635 -10.592 1.00 63.52 H new ATOM 0 HG21 VAL A 550 10.182 -36.004 -11.069 1.00 3.42 H new ATOM 0 HG22 VAL A 550 11.140 -35.248 -12.364 1.00 3.42 H new ATOM 0 HG23 VAL A 550 11.282 -36.995 -12.055 1.00 3.42 H new ATOM 339 N LYS A 551 14.859 -33.716 -11.367 1.00 12.31 N ATOM 340 CA LYS A 551 15.653 -32.681 -10.718 1.00 14.43 C ATOM 341 C LYS A 551 14.686 -31.628 -10.202 1.00 4.30 C ATOM 342 O LYS A 551 13.813 -31.156 -10.934 1.00 10.11 O ATOM 343 CB LYS A 551 16.672 -32.075 -11.677 1.00 44.14 C ATOM 344 CG LYS A 551 17.522 -33.118 -12.390 1.00 23.53 C ATOM 345 CD LYS A 551 18.788 -32.498 -12.966 1.00 74.51 C ATOM 346 CE LYS A 551 19.378 -33.356 -14.083 1.00 4.10 C ATOM 347 NZ LYS A 551 18.459 -33.379 -15.277 1.00 60.11 N ATOM 0 H LYS A 551 14.575 -33.502 -12.323 1.00 12.31 H new ATOM 0 HA LYS A 551 16.227 -33.106 -9.895 1.00 14.43 H new ATOM 0 HB2 LYS A 551 16.148 -31.473 -12.420 1.00 44.14 H new ATOM 0 HB3 LYS A 551 17.325 -31.400 -11.123 1.00 44.14 H new ATOM 0 HG2 LYS A 551 17.788 -33.912 -11.693 1.00 23.53 H new ATOM 0 HG3 LYS A 551 16.942 -33.578 -13.191 1.00 23.53 H new ATOM 0 HD2 LYS A 551 18.564 -31.503 -13.351 1.00 74.51 H new ATOM 0 HD3 LYS A 551 19.526 -32.374 -12.173 1.00 74.51 H new ATOM 0 HE2 LYS A 551 20.352 -32.963 -14.375 1.00 4.10 H new ATOM 0 HE3 LYS A 551 19.539 -34.372 -13.722 1.00 4.10 H new ATOM 0 HZ1 LYS A 551 18.009 -34.314 -15.351 1.00 60.11 H new ATOM 0 HZ2 LYS A 551 17.726 -32.650 -15.165 1.00 60.11 H new ATOM 0 HZ3 LYS A 551 19.007 -33.189 -16.140 1.00 60.11 H new ATOM 361 N VAL A 552 14.819 -31.308 -8.928 1.00 25.11 N ATOM 362 CA VAL A 552 13.960 -30.351 -8.247 1.00 24.01 C ATOM 363 C VAL A 552 14.748 -29.077 -8.004 1.00 31.42 C ATOM 364 O VAL A 552 15.836 -29.111 -7.420 1.00 42.34 O ATOM 365 CB VAL A 552 13.511 -30.864 -6.853 1.00 42.13 C ATOM 366 CG1 VAL A 552 12.296 -30.055 -6.361 1.00 32.20 C ATOM 367 CG2 VAL A 552 13.193 -32.366 -6.878 1.00 72.43 C ATOM 0 H VAL A 552 15.537 -31.711 -8.326 1.00 25.11 H new ATOM 0 HA VAL A 552 13.085 -30.192 -8.877 1.00 24.01 H new ATOM 0 HB VAL A 552 14.337 -30.721 -6.157 1.00 42.13 H new ATOM 0 HG11 VAL A 552 11.987 -30.421 -5.382 1.00 32.20 H new ATOM 0 HG12 VAL A 552 12.567 -29.002 -6.285 1.00 32.20 H new ATOM 0 HG13 VAL A 552 11.473 -30.169 -7.067 1.00 32.20 H new ATOM 0 HG21 VAL A 552 12.882 -32.689 -5.884 1.00 72.43 H new ATOM 0 HG22 VAL A 552 12.389 -32.556 -7.589 1.00 72.43 H new ATOM 0 HG23 VAL A 552 14.082 -32.921 -7.178 1.00 72.43 H new ATOM 377 N LEU A 553 14.206 -27.963 -8.459 1.00 52.34 N ATOM 378 CA LEU A 553 14.823 -26.671 -8.297 1.00 62.12 C ATOM 379 C LEU A 553 14.039 -25.883 -7.266 1.00 60.24 C ATOM 380 O LEU A 553 12.865 -26.168 -6.998 1.00 13.52 O ATOM 381 CB LEU A 553 14.792 -25.908 -9.624 1.00 75.34 C ATOM 382 CG LEU A 553 15.266 -26.616 -10.905 1.00 42.22 C ATOM 383 CD1 LEU A 553 16.592 -27.378 -10.741 1.00 1.31 C ATOM 384 CD2 LEU A 553 14.210 -27.515 -11.482 1.00 51.01 C ATOM 0 H LEU A 553 13.316 -27.935 -8.956 1.00 52.34 H new ATOM 0 HA LEU A 553 15.857 -26.801 -7.977 1.00 62.12 H new ATOM 0 HB2 LEU A 553 13.766 -25.580 -9.790 1.00 75.34 H new ATOM 0 HB3 LEU A 553 15.398 -25.010 -9.501 1.00 75.34 H new ATOM 0 HG LEU A 553 15.456 -25.809 -11.612 1.00 42.22 H new ATOM 0 HD11 LEU A 553 16.860 -27.850 -11.686 1.00 1.31 H new ATOM 0 HD12 LEU A 553 17.378 -26.682 -10.448 1.00 1.31 H new ATOM 0 HD13 LEU A 553 16.479 -28.143 -9.973 1.00 1.31 H new ATOM 0 HD21 LEU A 553 14.592 -27.992 -12.385 1.00 51.01 H new ATOM 0 HD22 LEU A 553 13.945 -28.280 -10.752 1.00 51.01 H new ATOM 0 HD23 LEU A 553 13.326 -26.927 -11.729 1.00 51.01 H new ATOM 396 N ARG A 554 14.677 -24.857 -6.742 1.00 2.22 N ATOM 397 CA ARG A 554 14.062 -23.934 -5.802 1.00 62.00 C ATOM 398 C ARG A 554 14.460 -22.559 -6.305 1.00 32.14 C ATOM 399 O ARG A 554 15.589 -22.374 -6.744 1.00 74.00 O ATOM 400 CB ARG A 554 14.576 -24.204 -4.385 1.00 3.23 C ATOM 401 CG ARG A 554 13.947 -23.381 -3.270 1.00 10.41 C ATOM 402 CD ARG A 554 14.737 -23.642 -1.988 1.00 13.04 C ATOM 403 NE ARG A 554 14.200 -22.949 -0.805 1.00 21.25 N ATOM 404 CZ ARG A 554 14.827 -22.850 0.365 1.00 22.42 C ATOM 405 NH1 ARG A 554 15.998 -23.399 0.586 1.00 33.24 N ATOM 406 NH2 ARG A 554 14.276 -22.172 1.331 1.00 74.03 N ATOM 0 H ARG A 554 15.649 -24.635 -6.957 1.00 2.22 H new ATOM 0 HA ARG A 554 12.978 -24.035 -5.746 1.00 62.00 H new ATOM 0 HB2 ARG A 554 14.421 -25.259 -4.160 1.00 3.23 H new ATOM 0 HB3 ARG A 554 15.652 -24.030 -4.373 1.00 3.23 H new ATOM 0 HG2 ARG A 554 13.967 -22.320 -3.521 1.00 10.41 H new ATOM 0 HG3 ARG A 554 12.901 -23.657 -3.136 1.00 10.41 H new ATOM 0 HD2 ARG A 554 14.751 -24.714 -1.793 1.00 13.04 H new ATOM 0 HD3 ARG A 554 15.771 -23.332 -2.140 1.00 13.04 H new ATOM 0 HE ARG A 554 13.281 -22.513 -0.888 1.00 21.25 H new ATOM 0 HH11 ARG A 554 16.462 -23.926 -0.154 1.00 33.24 H new ATOM 0 HH12 ARG A 554 16.444 -23.299 1.498 1.00 33.24 H new ATOM 0 HH21 ARG A 554 13.372 -21.723 1.187 1.00 74.03 H new ATOM 0 HH22 ARG A 554 14.749 -22.091 2.231 1.00 74.03 H new ATOM 420 N THR A 555 13.530 -21.616 -6.316 1.00 60.21 N ATOM 421 CA THR A 555 13.825 -20.278 -6.852 1.00 65.15 C ATOM 422 C THR A 555 14.807 -19.540 -5.932 1.00 63.20 C ATOM 423 O THR A 555 15.123 -20.018 -4.838 1.00 53.22 O ATOM 424 CB THR A 555 12.526 -19.434 -7.067 1.00 21.13 C ATOM 425 OG1 THR A 555 12.803 -18.356 -7.962 1.00 43.34 O ATOM 426 CG2 THR A 555 12.001 -18.833 -5.762 1.00 54.12 C ATOM 0 H THR A 555 12.579 -21.739 -5.969 1.00 60.21 H new ATOM 0 HA THR A 555 14.288 -20.409 -7.830 1.00 65.15 H new ATOM 0 HB THR A 555 11.771 -20.108 -7.471 1.00 21.13 H new ATOM 0 HG1 THR A 555 11.989 -17.827 -8.099 1.00 43.34 H new ATOM 0 HG21 THR A 555 11.098 -18.256 -5.964 1.00 54.12 H new ATOM 0 HG22 THR A 555 11.770 -19.634 -5.060 1.00 54.12 H new ATOM 0 HG23 THR A 555 12.760 -18.180 -5.331 1.00 54.12 H new ATOM 434 N SER A 556 15.242 -18.353 -6.346 1.00 53.03 N ATOM 435 CA SER A 556 16.195 -17.526 -5.585 1.00 11.12 C ATOM 436 C SER A 556 15.683 -17.007 -4.237 1.00 20.32 C ATOM 437 O SER A 556 16.373 -16.288 -3.525 1.00 13.12 O ATOM 438 CB SER A 556 16.614 -16.340 -6.448 1.00 64.43 C ATOM 439 OG SER A 556 16.830 -16.765 -7.783 1.00 13.31 O ATOM 0 H SER A 556 14.945 -17.928 -7.225 1.00 53.03 H new ATOM 0 HA SER A 556 17.031 -18.183 -5.345 1.00 11.12 H new ATOM 0 HB2 SER A 556 15.842 -15.571 -6.423 1.00 64.43 H new ATOM 0 HB3 SER A 556 17.524 -15.892 -6.048 1.00 64.43 H new ATOM 0 HG SER A 556 17.097 -15.998 -8.331 1.00 13.31 H new ATOM 445 N GLY A 557 14.508 -17.475 -3.857 1.00 13.24 N ATOM 446 CA GLY A 557 13.944 -17.236 -2.542 1.00 44.10 C ATOM 447 C GLY A 557 14.543 -18.216 -1.546 1.00 73.50 C ATOM 448 O GLY A 557 13.977 -18.474 -0.506 1.00 63.41 O ATOM 0 H GLY A 557 13.911 -18.039 -4.462 1.00 13.24 H new ATOM 0 HA2 GLY A 557 14.148 -16.212 -2.228 1.00 44.10 H new ATOM 0 HA3 GLY A 557 12.860 -17.350 -2.573 1.00 44.10 H new ATOM 452 N ALA A 558 15.648 -18.849 -1.894 1.00 42.20 N ATOM 453 CA ALA A 558 16.228 -19.876 -1.046 1.00 60.42 C ATOM 454 C ALA A 558 16.809 -19.308 0.251 1.00 61.31 C ATOM 455 O ALA A 558 17.971 -18.902 0.323 1.00 60.41 O ATOM 456 CB ALA A 558 17.262 -20.637 -1.800 1.00 54.14 C ATOM 0 H ALA A 558 16.162 -18.671 -2.757 1.00 42.20 H new ATOM 0 HA ALA A 558 15.423 -20.552 -0.757 1.00 60.42 H new ATOM 0 HB1 ALA A 558 17.691 -21.405 -1.156 1.00 54.14 H new ATOM 0 HB2 ALA A 558 16.805 -21.108 -2.670 1.00 54.14 H new ATOM 0 HB3 ALA A 558 18.048 -19.957 -2.127 1.00 54.14 H new ATOM 462 N ARG A 559 15.968 -19.280 1.270 1.00 10.05 N ATOM 463 CA ARG A 559 16.320 -18.779 2.586 1.00 3.10 C ATOM 464 C ARG A 559 16.179 -19.927 3.567 1.00 41.33 C ATOM 465 O ARG A 559 15.090 -20.474 3.747 1.00 52.42 O ATOM 466 CB ARG A 559 15.379 -17.622 2.968 1.00 34.11 C ATOM 467 CG ARG A 559 15.393 -16.416 1.995 1.00 73.03 C ATOM 468 CD ARG A 559 16.673 -15.575 2.096 1.00 50.21 C ATOM 469 NE ARG A 559 17.789 -16.166 1.338 1.00 14.21 N ATOM 470 CZ ARG A 559 19.021 -15.682 1.269 1.00 11.33 C ATOM 471 NH1 ARG A 559 19.382 -14.582 1.888 1.00 73.32 N ATOM 472 NH2 ARG A 559 19.906 -16.331 0.570 1.00 23.20 N ATOM 0 H ARG A 559 15.005 -19.610 1.204 1.00 10.05 H new ATOM 0 HA ARG A 559 17.342 -18.401 2.599 1.00 3.10 H new ATOM 0 HB2 ARG A 559 14.361 -18.007 3.030 1.00 34.11 H new ATOM 0 HB3 ARG A 559 15.648 -17.269 3.964 1.00 34.11 H new ATOM 0 HG2 ARG A 559 15.284 -16.780 0.973 1.00 73.03 H new ATOM 0 HG3 ARG A 559 14.531 -15.781 2.201 1.00 73.03 H new ATOM 0 HD2 ARG A 559 16.475 -14.570 1.724 1.00 50.21 H new ATOM 0 HD3 ARG A 559 16.959 -15.477 3.143 1.00 50.21 H new ATOM 0 HE ARG A 559 17.597 -17.024 0.820 1.00 14.21 H new ATOM 0 HH11 ARG A 559 18.704 -14.066 2.448 1.00 73.32 H new ATOM 0 HH12 ARG A 559 20.341 -14.243 1.809 1.00 73.32 H new ATOM 0 HH21 ARG A 559 19.645 -17.192 0.090 1.00 23.20 H new ATOM 0 HH22 ARG A 559 20.861 -15.978 0.502 1.00 23.20 H new ATOM 486 N GLY A 560 17.288 -20.322 4.160 1.00 75.43 N ATOM 487 CA GLY A 560 17.265 -21.379 5.144 1.00 34.54 C ATOM 488 C GLY A 560 17.073 -22.761 4.566 1.00 71.33 C ATOM 489 O GLY A 560 17.285 -22.999 3.360 1.00 30.01 O ATOM 0 H GLY A 560 18.211 -19.928 3.977 1.00 75.43 H new ATOM 0 HA2 GLY A 560 18.200 -21.359 5.704 1.00 34.54 H new ATOM 0 HA3 GLY A 560 16.463 -21.180 5.855 1.00 34.54 H new ATOM 493 N THR A 561 16.655 -23.666 5.433 1.00 42.14 N ATOM 494 CA THR A 561 16.501 -25.075 5.086 1.00 60.01 C ATOM 495 C THR A 561 15.041 -25.442 5.083 1.00 62.15 C ATOM 496 O THR A 561 14.295 -25.123 5.983 1.00 62.43 O ATOM 497 CB THR A 561 17.262 -26.000 6.071 1.00 34.55 C ATOM 498 OG1 THR A 561 18.647 -25.668 6.044 1.00 3.43 O ATOM 499 CG2 THR A 561 17.110 -27.458 5.730 1.00 4.44 C ATOM 0 H THR A 561 16.412 -23.449 6.399 1.00 42.14 H new ATOM 0 HA THR A 561 16.927 -25.218 4.093 1.00 60.01 H new ATOM 0 HB THR A 561 16.834 -25.843 7.061 1.00 34.55 H new ATOM 0 HG1 THR A 561 18.838 -25.004 6.739 1.00 3.43 H new ATOM 0 HG21 THR A 561 17.663 -28.060 6.451 1.00 4.44 H new ATOM 0 HG22 THR A 561 16.055 -27.731 5.762 1.00 4.44 H new ATOM 0 HG23 THR A 561 17.502 -27.640 4.729 1.00 4.44 H new ATOM 507 N VAL A 562 14.651 -26.104 4.021 1.00 21.33 N ATOM 508 CA VAL A 562 13.291 -26.583 3.793 1.00 12.20 C ATOM 509 C VAL A 562 13.395 -28.065 3.471 1.00 0.15 C ATOM 510 O VAL A 562 14.272 -28.467 2.727 1.00 52.32 O ATOM 511 CB VAL A 562 12.637 -25.844 2.586 1.00 3.20 C ATOM 512 CG1 VAL A 562 11.281 -26.449 2.213 1.00 51.23 C ATOM 513 CG2 VAL A 562 12.439 -24.369 2.899 1.00 44.05 C ATOM 0 H VAL A 562 15.288 -26.337 3.259 1.00 21.33 H new ATOM 0 HA VAL A 562 12.675 -26.400 4.673 1.00 12.20 H new ATOM 0 HB VAL A 562 13.319 -25.959 1.744 1.00 3.20 H new ATOM 0 HG11 VAL A 562 10.860 -25.905 1.368 1.00 51.23 H new ATOM 0 HG12 VAL A 562 11.412 -27.496 1.941 1.00 51.23 H new ATOM 0 HG13 VAL A 562 10.604 -26.377 3.064 1.00 51.23 H new ATOM 0 HG21 VAL A 562 11.981 -23.874 2.043 1.00 44.05 H new ATOM 0 HG22 VAL A 562 11.789 -24.265 3.768 1.00 44.05 H new ATOM 0 HG23 VAL A 562 13.404 -23.909 3.111 1.00 44.05 H new ATOM 523 N ILE A 563 12.492 -28.864 4.008 1.00 12.03 N ATOM 524 CA ILE A 563 12.423 -30.274 3.688 1.00 4.12 C ATOM 525 C ILE A 563 11.208 -30.433 2.774 1.00 50.34 C ATOM 526 O ILE A 563 10.188 -29.764 2.974 1.00 64.32 O ATOM 527 CB ILE A 563 12.335 -31.132 4.983 1.00 31.22 C ATOM 528 CG1 ILE A 563 13.072 -32.451 4.785 1.00 21.23 C ATOM 529 CG2 ILE A 563 10.880 -31.418 5.413 1.00 60.24 C ATOM 530 CD1 ILE A 563 13.652 -32.981 6.056 1.00 52.44 C ATOM 0 H ILE A 563 11.788 -28.553 4.677 1.00 12.03 H new ATOM 0 HA ILE A 563 13.319 -30.629 3.180 1.00 4.12 H new ATOM 0 HB ILE A 563 12.803 -30.551 5.778 1.00 31.22 H new ATOM 0 HG12 ILE A 563 12.385 -33.188 4.368 1.00 21.23 H new ATOM 0 HG13 ILE A 563 13.870 -32.311 4.056 1.00 21.23 H new ATOM 0 HG21 ILE A 563 10.881 -32.020 6.322 1.00 60.24 H new ATOM 0 HG22 ILE A 563 10.365 -30.476 5.602 1.00 60.24 H new ATOM 0 HG23 ILE A 563 10.366 -31.960 4.619 1.00 60.24 H new ATOM 0 HD11 ILE A 563 14.165 -33.922 5.857 1.00 52.44 H new ATOM 0 HD12 ILE A 563 14.361 -32.259 6.461 1.00 52.44 H new ATOM 0 HD13 ILE A 563 12.853 -33.149 6.778 1.00 52.44 H new ATOM 542 N VAL A 564 11.321 -31.245 1.734 1.00 72.21 N ATOM 543 CA VAL A 564 10.206 -31.424 0.797 1.00 12.43 C ATOM 544 C VAL A 564 9.954 -32.895 0.466 1.00 70.02 C ATOM 545 O VAL A 564 10.787 -33.542 -0.169 1.00 33.22 O ATOM 546 CB VAL A 564 10.432 -30.677 -0.550 1.00 64.21 C ATOM 547 CG1 VAL A 564 9.136 -30.693 -1.383 1.00 21.44 C ATOM 548 CG2 VAL A 564 10.868 -29.231 -0.313 1.00 34.11 C ATOM 0 H VAL A 564 12.157 -31.786 1.513 1.00 72.21 H new ATOM 0 HA VAL A 564 9.343 -31.004 1.314 1.00 12.43 H new ATOM 0 HB VAL A 564 11.225 -31.192 -1.092 1.00 64.21 H new ATOM 0 HG11 VAL A 564 9.302 -30.168 -2.324 1.00 21.44 H new ATOM 0 HG12 VAL A 564 8.848 -31.724 -1.588 1.00 21.44 H new ATOM 0 HG13 VAL A 564 8.340 -30.198 -0.827 1.00 21.44 H new ATOM 0 HG21 VAL A 564 11.018 -28.735 -1.272 1.00 34.11 H new ATOM 0 HG22 VAL A 564 10.097 -28.706 0.251 1.00 34.11 H new ATOM 0 HG23 VAL A 564 11.800 -29.220 0.251 1.00 34.11 H new ATOM 558 N PRO A 565 8.800 -33.440 0.878 1.00 71.21 N ATOM 559 CA PRO A 565 8.461 -34.799 0.452 1.00 22.11 C ATOM 560 C PRO A 565 8.035 -34.920 -0.979 1.00 53.31 C ATOM 561 O PRO A 565 7.554 -33.970 -1.577 1.00 13.41 O ATOM 562 CB PRO A 565 7.272 -35.158 1.357 1.00 24.15 C ATOM 563 CG PRO A 565 6.661 -33.877 1.690 1.00 13.21 C ATOM 564 CD PRO A 565 7.743 -32.858 1.720 1.00 64.20 C ATOM 0 HA PRO A 565 9.334 -35.447 0.532 1.00 22.11 H new ATOM 0 HB2 PRO A 565 6.567 -35.812 0.844 1.00 24.15 H new ATOM 0 HB3 PRO A 565 7.601 -35.685 2.253 1.00 24.15 H new ATOM 0 HG2 PRO A 565 5.904 -33.610 0.952 1.00 13.21 H new ATOM 0 HG3 PRO A 565 6.159 -33.932 2.656 1.00 13.21 H new ATOM 0 HD2 PRO A 565 7.401 -31.900 1.327 1.00 64.20 H new ATOM 0 HD3 PRO A 565 8.095 -32.678 2.736 1.00 64.20 H new ATOM 572 N PHE A 566 8.152 -36.131 -1.491 1.00 11.03 N ATOM 573 CA PHE A 566 7.669 -36.492 -2.807 1.00 42.32 C ATOM 574 C PHE A 566 7.100 -37.883 -2.717 1.00 1.13 C ATOM 575 O PHE A 566 7.381 -38.586 -1.747 1.00 32.51 O ATOM 576 CB PHE A 566 8.828 -36.498 -3.779 1.00 63.31 C ATOM 577 CG PHE A 566 9.935 -37.456 -3.403 1.00 20.55 C ATOM 578 CD1 PHE A 566 10.969 -37.049 -2.536 1.00 2.13 C ATOM 579 CD2 PHE A 566 9.966 -38.759 -3.925 1.00 21.01 C ATOM 580 CE1 PHE A 566 12.022 -37.936 -2.194 1.00 14.34 C ATOM 581 CE2 PHE A 566 11.019 -39.651 -3.592 1.00 12.31 C ATOM 582 CZ PHE A 566 12.046 -39.235 -2.729 1.00 63.02 C ATOM 0 H PHE A 566 8.594 -36.904 -0.993 1.00 11.03 H new ATOM 0 HA PHE A 566 6.915 -35.783 -3.148 1.00 42.32 H new ATOM 0 HB2 PHE A 566 8.457 -36.757 -4.771 1.00 63.31 H new ATOM 0 HB3 PHE A 566 9.239 -35.491 -3.846 1.00 63.31 H new ATOM 0 HD1 PHE A 566 10.960 -36.050 -2.127 1.00 2.13 H new ATOM 0 HD2 PHE A 566 9.179 -39.087 -4.588 1.00 21.01 H new ATOM 0 HE1 PHE A 566 12.804 -37.613 -1.523 1.00 14.34 H new ATOM 0 HE2 PHE A 566 11.030 -40.650 -4.002 1.00 12.31 H new ATOM 0 HZ PHE A 566 12.850 -39.910 -2.478 1.00 63.02 H new ATOM 592 N ARG A 567 6.341 -38.288 -3.728 1.00 11.13 N ATOM 593 CA ARG A 567 5.836 -39.652 -3.829 1.00 64.30 C ATOM 594 C ARG A 567 5.460 -39.890 -5.283 1.00 73.54 C ATOM 595 O ARG A 567 5.147 -38.931 -6.005 1.00 30.12 O ATOM 596 CB ARG A 567 4.636 -39.865 -2.897 1.00 61.44 C ATOM 597 CG ARG A 567 3.421 -39.071 -3.293 1.00 65.04 C ATOM 598 CD ARG A 567 2.446 -39.971 -4.018 1.00 24.13 C ATOM 599 NE ARG A 567 1.514 -40.657 -3.097 1.00 51.12 N ATOM 600 CZ ARG A 567 1.038 -41.895 -3.255 1.00 30.23 C ATOM 601 NH1 ARG A 567 1.339 -42.660 -4.265 1.00 22.51 N ATOM 602 NH2 ARG A 567 0.228 -42.377 -2.354 1.00 32.03 N ATOM 0 H ARG A 567 6.059 -37.682 -4.499 1.00 11.13 H new ATOM 0 HA ARG A 567 6.598 -40.366 -3.517 1.00 64.30 H new ATOM 0 HB2 ARG A 567 4.380 -40.924 -2.884 1.00 61.44 H new ATOM 0 HB3 ARG A 567 4.922 -39.594 -1.881 1.00 61.44 H new ATOM 0 HG2 ARG A 567 2.949 -38.643 -2.409 1.00 65.04 H new ATOM 0 HG3 ARG A 567 3.710 -38.239 -3.934 1.00 65.04 H new ATOM 0 HD2 ARG A 567 1.875 -39.380 -4.734 1.00 24.13 H new ATOM 0 HD3 ARG A 567 3.000 -40.715 -4.590 1.00 24.13 H new ATOM 0 HE ARG A 567 1.209 -40.141 -2.272 1.00 51.12 H new ATOM 0 HH11 ARG A 567 1.971 -42.321 -4.991 1.00 22.51 H new ATOM 0 HH12 ARG A 567 0.943 -43.598 -4.330 1.00 22.51 H new ATOM 0 HH21 ARG A 567 -0.032 -41.811 -1.546 1.00 32.03 H new ATOM 0 HH22 ARG A 567 -0.146 -43.320 -2.457 1.00 32.03 H new ATOM 616 N THR A 568 5.496 -41.134 -5.716 1.00 20.10 N ATOM 617 CA THR A 568 5.185 -41.486 -7.095 1.00 30.30 C ATOM 618 C THR A 568 3.679 -41.599 -7.238 1.00 73.22 C ATOM 619 O THR A 568 3.020 -42.114 -6.364 1.00 51.51 O ATOM 620 CB THR A 568 5.874 -42.806 -7.437 1.00 3.13 C ATOM 621 OG1 THR A 568 7.264 -42.646 -7.181 1.00 72.20 O ATOM 622 CG2 THR A 568 5.742 -43.164 -8.854 1.00 54.02 C ATOM 0 H THR A 568 5.740 -41.930 -5.127 1.00 20.10 H new ATOM 0 HA THR A 568 5.545 -40.722 -7.784 1.00 30.30 H new ATOM 0 HB THR A 568 5.408 -43.588 -6.837 1.00 3.13 H new ATOM 0 HG1 THR A 568 7.780 -43.091 -7.886 1.00 72.20 H new ATOM 0 HG21 THR A 568 6.250 -44.110 -9.039 1.00 54.02 H new ATOM 0 HG22 THR A 568 4.687 -43.264 -9.107 1.00 54.02 H new ATOM 0 HG23 THR A 568 6.191 -42.384 -9.470 1.00 54.02 H new ATOM 630 N VAL A 569 3.134 -41.055 -8.309 1.00 13.30 N ATOM 631 CA VAL A 569 1.701 -41.042 -8.547 1.00 14.25 C ATOM 632 C VAL A 569 1.532 -41.710 -9.885 1.00 61.02 C ATOM 633 O VAL A 569 1.907 -41.169 -10.922 1.00 14.30 O ATOM 634 CB VAL A 569 1.117 -39.604 -8.613 1.00 13.25 C ATOM 635 CG1 VAL A 569 -0.403 -39.651 -8.851 1.00 73.35 C ATOM 636 CG2 VAL A 569 1.399 -38.832 -7.325 1.00 21.12 C ATOM 0 H VAL A 569 3.677 -40.605 -9.046 1.00 13.30 H new ATOM 0 HA VAL A 569 1.174 -41.542 -7.735 1.00 14.25 H new ATOM 0 HB VAL A 569 1.602 -39.092 -9.444 1.00 13.25 H new ATOM 0 HG11 VAL A 569 -0.796 -38.635 -8.895 1.00 73.35 H new ATOM 0 HG12 VAL A 569 -0.608 -40.160 -9.793 1.00 73.35 H new ATOM 0 HG13 VAL A 569 -0.883 -40.191 -8.035 1.00 73.35 H new ATOM 0 HG21 VAL A 569 0.978 -37.830 -7.402 1.00 21.12 H new ATOM 0 HG22 VAL A 569 0.945 -39.353 -6.482 1.00 21.12 H new ATOM 0 HG23 VAL A 569 2.476 -38.762 -7.171 1.00 21.12 H new ATOM 646 N GLU A 570 1.034 -42.920 -9.849 1.00 25.05 N ATOM 647 CA GLU A 570 0.853 -43.698 -11.048 1.00 61.52 C ATOM 648 C GLU A 570 -0.355 -43.157 -11.813 1.00 34.15 C ATOM 649 O GLU A 570 -1.362 -42.767 -11.214 1.00 61.33 O ATOM 650 CB GLU A 570 0.734 -45.185 -10.695 1.00 14.21 C ATOM 651 CG GLU A 570 -0.046 -45.539 -9.430 1.00 61.24 C ATOM 652 CD GLU A 570 0.754 -45.322 -8.139 1.00 51.11 C ATOM 653 OE1 GLU A 570 1.672 -46.123 -7.847 1.00 2.23 O ATOM 654 OE2 GLU A 570 0.464 -44.328 -7.422 1.00 3.35 O ATOM 0 H GLU A 570 0.744 -43.392 -8.992 1.00 25.05 H new ATOM 0 HA GLU A 570 1.719 -43.609 -11.704 1.00 61.52 H new ATOM 0 HB2 GLU A 570 0.265 -45.696 -11.536 1.00 14.21 H new ATOM 0 HB3 GLU A 570 1.741 -45.591 -10.597 1.00 14.21 H new ATOM 0 HG2 GLU A 570 -0.954 -44.937 -9.392 1.00 61.24 H new ATOM 0 HG3 GLU A 570 -0.358 -46.582 -9.484 1.00 61.24 H new ATOM 661 N GLY A 571 -0.214 -43.064 -13.130 1.00 64.41 N ATOM 662 CA GLY A 571 -1.275 -42.543 -13.982 1.00 43.23 C ATOM 663 C GLY A 571 -1.960 -43.710 -14.652 1.00 52.35 C ATOM 664 O GLY A 571 -3.016 -44.156 -14.210 1.00 21.10 O ATOM 0 H GLY A 571 0.628 -43.344 -13.632 1.00 64.41 H new ATOM 0 HA2 GLY A 571 -1.990 -41.971 -13.391 1.00 43.23 H new ATOM 0 HA3 GLY A 571 -0.864 -41.864 -14.729 1.00 43.23 H new ATOM 668 N THR A 572 -1.295 -44.276 -15.647 1.00 15.12 N ATOM 669 CA THR A 572 -1.673 -45.588 -16.160 1.00 24.13 C ATOM 670 C THR A 572 -0.460 -46.474 -15.879 1.00 23.23 C ATOM 671 O THR A 572 0.622 -46.247 -16.396 1.00 23.44 O ATOM 672 CB THR A 572 -2.148 -45.558 -17.652 1.00 62.11 C ATOM 673 OG1 THR A 572 -2.451 -46.887 -18.090 1.00 54.51 O ATOM 674 CG2 THR A 572 -1.129 -44.959 -18.588 1.00 12.31 C ATOM 0 H THR A 572 -0.494 -43.852 -16.115 1.00 15.12 H new ATOM 0 HA THR A 572 -2.559 -45.988 -15.667 1.00 24.13 H new ATOM 0 HB THR A 572 -3.034 -44.923 -17.682 1.00 62.11 H new ATOM 0 HG1 THR A 572 -1.628 -47.419 -18.116 1.00 54.51 H new ATOM 0 HG21 THR A 572 -1.520 -44.968 -19.605 1.00 12.31 H new ATOM 0 HG22 THR A 572 -0.920 -43.932 -18.289 1.00 12.31 H new ATOM 0 HG23 THR A 572 -0.210 -45.543 -18.547 1.00 12.31 H new ATOM 682 N ALA A 573 -0.661 -47.395 -14.944 1.00 22.41 N ATOM 683 CA ALA A 573 0.349 -48.329 -14.436 1.00 72.24 C ATOM 684 C ALA A 573 -0.466 -49.043 -13.369 1.00 43.23 C ATOM 685 O ALA A 573 -1.528 -48.533 -12.990 1.00 4.41 O ATOM 686 CB ALA A 573 1.561 -47.599 -13.807 1.00 34.51 C ATOM 0 H ALA A 573 -1.569 -47.520 -14.497 1.00 22.41 H new ATOM 0 HA ALA A 573 0.792 -48.969 -15.199 1.00 72.24 H new ATOM 0 HB1 ALA A 573 2.281 -48.334 -13.446 1.00 34.51 H new ATOM 0 HB2 ALA A 573 2.034 -46.966 -14.558 1.00 34.51 H new ATOM 0 HB3 ALA A 573 1.222 -46.983 -12.974 1.00 34.51 H new ATOM 692 N LYS A 574 -0.006 -50.170 -12.848 1.00 55.45 N ATOM 693 CA LYS A 574 -0.730 -50.814 -11.742 1.00 35.32 C ATOM 694 C LYS A 574 -0.093 -50.265 -10.464 1.00 0.04 C ATOM 695 O LYS A 574 -0.756 -50.086 -9.443 1.00 23.04 O ATOM 696 CB LYS A 574 -0.679 -52.346 -11.806 1.00 71.24 C ATOM 697 CG LYS A 574 -0.497 -52.928 -13.216 1.00 54.01 C ATOM 698 CD LYS A 574 -1.578 -52.595 -14.241 1.00 65.12 C ATOM 699 CE LYS A 574 -1.183 -53.170 -15.611 1.00 23.32 C ATOM 700 NZ LYS A 574 0.166 -52.702 -16.156 1.00 75.15 N ATOM 0 H LYS A 574 0.838 -50.653 -13.155 1.00 55.45 H new ATOM 0 HA LYS A 574 -1.795 -50.586 -11.789 1.00 35.32 H new ATOM 0 HB2 LYS A 574 0.140 -52.695 -11.176 1.00 71.24 H new ATOM 0 HB3 LYS A 574 -1.600 -52.744 -11.380 1.00 71.24 H new ATOM 0 HG2 LYS A 574 0.460 -52.581 -13.606 1.00 54.01 H new ATOM 0 HG3 LYS A 574 -0.432 -54.013 -13.130 1.00 54.01 H new ATOM 0 HD2 LYS A 574 -2.535 -53.009 -13.923 1.00 65.12 H new ATOM 0 HD3 LYS A 574 -1.706 -51.515 -14.312 1.00 65.12 H new ATOM 0 HE2 LYS A 574 -1.169 -54.258 -15.539 1.00 23.32 H new ATOM 0 HE3 LYS A 574 -1.957 -52.909 -16.332 1.00 23.32 H new ATOM 0 HZ1 LYS A 574 0.347 -53.158 -17.073 1.00 75.15 H new ATOM 0 HZ2 LYS A 574 0.151 -51.669 -16.280 1.00 75.15 H new ATOM 0 HZ3 LYS A 574 0.919 -52.960 -15.487 1.00 75.15 H new ATOM 714 N GLY A 575 1.179 -49.904 -10.587 1.00 64.01 N ATOM 715 CA GLY A 575 1.888 -49.171 -9.548 1.00 63.54 C ATOM 716 C GLY A 575 2.388 -49.994 -8.379 1.00 21.21 C ATOM 717 O GLY A 575 2.361 -51.228 -8.384 1.00 64.34 O ATOM 0 H GLY A 575 1.746 -50.111 -11.409 1.00 64.01 H new ATOM 0 HA2 GLY A 575 2.741 -48.668 -10.004 1.00 63.54 H new ATOM 0 HA3 GLY A 575 1.227 -48.394 -9.164 1.00 63.54 H new ATOM 721 N GLY A 576 2.862 -49.298 -7.357 1.00 24.24 N ATOM 722 CA GLY A 576 3.358 -49.959 -6.159 1.00 71.14 C ATOM 723 C GLY A 576 4.736 -50.572 -6.330 1.00 32.32 C ATOM 724 O GLY A 576 5.722 -49.940 -6.002 1.00 20.12 O ATOM 0 H GLY A 576 2.914 -48.280 -7.332 1.00 24.24 H new ATOM 0 HA2 GLY A 576 3.389 -49.238 -5.342 1.00 71.14 H new ATOM 0 HA3 GLY A 576 2.656 -50.740 -5.868 1.00 71.14 H new ATOM 728 N GLY A 577 4.779 -51.840 -6.724 1.00 40.54 N ATOM 729 CA GLY A 577 6.019 -52.549 -7.019 1.00 14.14 C ATOM 730 C GLY A 577 6.056 -53.122 -8.420 1.00 63.24 C ATOM 731 O GLY A 577 6.862 -54.002 -8.674 1.00 54.11 O ATOM 0 H GLY A 577 3.943 -52.411 -6.849 1.00 40.54 H new ATOM 0 HA2 GLY A 577 6.860 -51.868 -6.889 1.00 14.14 H new ATOM 0 HA3 GLY A 577 6.149 -53.357 -6.299 1.00 14.14 H new ATOM 735 N GLU A 578 5.093 -52.768 -9.262 1.00 74.44 N ATOM 736 CA GLU A 578 4.892 -53.478 -10.538 1.00 14.30 C ATOM 737 C GLU A 578 5.607 -52.838 -11.733 1.00 4.11 C ATOM 738 O GLU A 578 6.519 -53.427 -12.272 1.00 11.44 O ATOM 739 CB GLU A 578 3.382 -53.611 -10.779 1.00 21.45 C ATOM 740 CG GLU A 578 2.954 -53.999 -12.200 1.00 24.02 C ATOM 741 CD GLU A 578 2.706 -52.786 -13.101 1.00 52.14 C ATOM 742 OE1 GLU A 578 2.434 -51.672 -12.562 1.00 31.15 O ATOM 743 OE2 GLU A 578 2.593 -52.976 -14.328 1.00 70.42 O ATOM 0 H GLU A 578 4.440 -52.002 -9.095 1.00 74.44 H new ATOM 0 HA GLU A 578 5.353 -54.462 -10.452 1.00 14.30 H new ATOM 0 HB2 GLU A 578 2.989 -54.356 -10.087 1.00 21.45 H new ATOM 0 HB3 GLU A 578 2.910 -52.662 -10.526 1.00 21.45 H new ATOM 0 HG2 GLU A 578 3.725 -54.626 -12.648 1.00 24.02 H new ATOM 0 HG3 GLU A 578 2.045 -54.599 -12.149 1.00 24.02 H new ATOM 750 N ASP A 579 5.201 -51.642 -12.135 1.00 23.41 N ATOM 751 CA ASP A 579 5.850 -50.933 -13.252 1.00 31.30 C ATOM 752 C ASP A 579 7.106 -50.247 -12.720 1.00 61.21 C ATOM 753 O ASP A 579 8.149 -50.142 -13.365 1.00 24.31 O ATOM 754 CB ASP A 579 4.867 -49.886 -13.797 1.00 50.40 C ATOM 755 CG ASP A 579 5.375 -49.183 -15.030 1.00 54.40 C ATOM 756 OD1 ASP A 579 6.213 -49.742 -15.757 1.00 51.13 O ATOM 757 OD2 ASP A 579 4.909 -48.046 -15.279 1.00 41.43 O ATOM 0 H ASP A 579 4.425 -51.134 -11.710 1.00 23.41 H new ATOM 0 HA ASP A 579 6.124 -51.623 -14.050 1.00 31.30 H new ATOM 0 HB2 ASP A 579 3.919 -50.372 -14.028 1.00 50.40 H new ATOM 0 HB3 ASP A 579 4.666 -49.147 -13.022 1.00 50.40 H new ATOM 762 N PHE A 580 6.996 -49.798 -11.488 1.00 14.33 N ATOM 763 CA PHE A 580 8.079 -49.127 -10.806 1.00 63.14 C ATOM 764 C PHE A 580 7.773 -49.257 -9.338 1.00 74.54 C ATOM 765 O PHE A 580 6.641 -49.566 -8.957 1.00 10.15 O ATOM 766 CB PHE A 580 8.147 -47.650 -11.212 1.00 31.30 C ATOM 767 CG PHE A 580 6.803 -47.011 -11.348 1.00 25.45 C ATOM 768 CD1 PHE A 580 6.042 -46.663 -10.215 1.00 1.11 C ATOM 769 CD2 PHE A 580 6.273 -46.780 -12.625 1.00 52.21 C ATOM 770 CE1 PHE A 580 4.755 -46.099 -10.367 1.00 0.21 C ATOM 771 CE2 PHE A 580 5.001 -46.220 -12.783 1.00 12.15 C ATOM 772 CZ PHE A 580 4.244 -45.875 -11.660 1.00 32.42 C ATOM 0 H PHE A 580 6.147 -49.889 -10.929 1.00 14.33 H new ATOM 0 HA PHE A 580 9.044 -49.565 -11.059 1.00 63.14 H new ATOM 0 HB2 PHE A 580 8.728 -47.103 -10.470 1.00 31.30 H new ATOM 0 HB3 PHE A 580 8.679 -47.565 -12.159 1.00 31.30 H new ATOM 0 HD1 PHE A 580 6.444 -46.828 -9.226 1.00 1.11 H new ATOM 0 HD2 PHE A 580 6.854 -47.038 -13.498 1.00 52.21 H new ATOM 0 HE1 PHE A 580 4.168 -45.842 -9.498 1.00 0.21 H new ATOM 0 HE2 PHE A 580 4.604 -46.054 -13.773 1.00 12.15 H new ATOM 0 HZ PHE A 580 3.265 -45.436 -11.784 1.00 32.42 H new ATOM 782 N GLU A 581 8.771 -49.004 -8.517 1.00 11.22 N ATOM 783 CA GLU A 581 8.574 -48.984 -7.078 1.00 40.13 C ATOM 784 C GLU A 581 8.188 -47.571 -6.679 1.00 35.43 C ATOM 785 O GLU A 581 8.777 -46.608 -7.175 1.00 23.11 O ATOM 786 CB GLU A 581 9.840 -49.424 -6.345 1.00 55.14 C ATOM 787 CG GLU A 581 10.144 -50.900 -6.553 1.00 52.14 C ATOM 788 CD GLU A 581 11.422 -51.350 -5.846 1.00 42.10 C ATOM 789 OE1 GLU A 581 12.086 -50.521 -5.187 1.00 21.43 O ATOM 790 OE2 GLU A 581 11.818 -52.525 -6.038 1.00 10.23 O ATOM 0 H GLU A 581 9.726 -48.809 -8.818 1.00 11.22 H new ATOM 0 HA GLU A 581 7.785 -49.683 -6.802 1.00 40.13 H new ATOM 0 HB2 GLU A 581 10.684 -48.829 -6.693 1.00 55.14 H new ATOM 0 HB3 GLU A 581 9.728 -49.225 -5.279 1.00 55.14 H new ATOM 0 HG2 GLU A 581 9.305 -51.493 -6.189 1.00 52.14 H new ATOM 0 HG3 GLU A 581 10.236 -51.100 -7.621 1.00 52.14 H new ATOM 797 N ASP A 582 7.197 -47.444 -5.799 1.00 43.12 N ATOM 798 CA ASP A 582 6.768 -46.128 -5.320 1.00 13.45 C ATOM 799 C ASP A 582 7.913 -45.473 -4.625 1.00 25.32 C ATOM 800 O ASP A 582 8.411 -45.895 -3.577 1.00 14.34 O ATOM 801 CB ASP A 582 5.579 -46.194 -4.383 1.00 32.02 C ATOM 802 CG ASP A 582 5.033 -44.795 -3.982 1.00 42.30 C ATOM 803 OD1 ASP A 582 5.599 -43.746 -4.391 1.00 52.23 O ATOM 804 OD2 ASP A 582 4.056 -44.755 -3.198 1.00 24.42 O ATOM 0 H ASP A 582 6.678 -48.229 -5.405 1.00 43.12 H new ATOM 0 HA ASP A 582 6.451 -45.551 -6.189 1.00 13.45 H new ATOM 0 HB2 ASP A 582 4.782 -46.765 -4.859 1.00 32.02 H new ATOM 0 HB3 ASP A 582 5.865 -46.736 -3.482 1.00 32.02 H new ATOM 809 N ALA A 583 8.347 -44.440 -5.285 1.00 34.33 N ATOM 810 CA ALA A 583 9.464 -43.673 -4.881 1.00 32.33 C ATOM 811 C ALA A 583 8.967 -42.470 -4.119 1.00 3.25 C ATOM 812 O ALA A 583 8.427 -41.513 -4.683 1.00 0.02 O ATOM 813 CB ALA A 583 10.188 -43.297 -6.053 1.00 51.14 C ATOM 0 H ALA A 583 7.912 -44.106 -6.145 1.00 34.33 H new ATOM 0 HA ALA A 583 10.130 -44.237 -4.227 1.00 32.33 H new ATOM 0 HB1 ALA A 583 11.057 -42.703 -5.769 1.00 51.14 H new ATOM 0 HB2 ALA A 583 10.517 -44.192 -6.580 1.00 51.14 H new ATOM 0 HB3 ALA A 583 9.543 -42.708 -6.706 1.00 51.14 H new ATOM 819 N TYR A 584 9.147 -42.552 -2.822 1.00 62.20 N ATOM 820 CA TYR A 584 8.707 -41.520 -1.899 1.00 34.44 C ATOM 821 C TYR A 584 9.733 -41.324 -0.806 1.00 23.23 C ATOM 822 O TYR A 584 10.398 -42.265 -0.376 1.00 5.22 O ATOM 823 CB TYR A 584 7.341 -41.872 -1.290 1.00 52.04 C ATOM 824 CG TYR A 584 7.284 -43.208 -0.581 1.00 73.31 C ATOM 825 CD1 TYR A 584 6.952 -44.365 -1.296 1.00 20.20 C ATOM 826 CD2 TYR A 584 7.539 -43.325 0.801 1.00 24.01 C ATOM 827 CE1 TYR A 584 6.864 -45.623 -0.669 1.00 31.10 C ATOM 828 CE2 TYR A 584 7.464 -44.594 1.446 1.00 22.45 C ATOM 829 CZ TYR A 584 7.125 -45.732 0.699 1.00 43.25 C ATOM 830 OH TYR A 584 7.052 -46.958 1.311 1.00 43.24 O ATOM 0 H TYR A 584 9.606 -43.342 -2.369 1.00 62.20 H new ATOM 0 HA TYR A 584 8.601 -40.589 -2.456 1.00 34.44 H new ATOM 0 HB2 TYR A 584 7.062 -41.090 -0.584 1.00 52.04 H new ATOM 0 HB3 TYR A 584 6.594 -41.866 -2.083 1.00 52.04 H new ATOM 0 HD1 TYR A 584 6.758 -44.291 -2.356 1.00 20.20 H new ATOM 0 HD2 TYR A 584 7.793 -42.446 1.375 1.00 24.01 H new ATOM 0 HE1 TYR A 584 6.596 -46.498 -1.242 1.00 31.10 H new ATOM 0 HE2 TYR A 584 7.667 -44.679 2.503 1.00 22.45 H new ATOM 0 HH TYR A 584 7.263 -46.861 2.263 1.00 43.24 H new ATOM 840 N GLY A 585 9.878 -40.090 -0.365 1.00 3.14 N ATOM 841 CA GLY A 585 10.809 -39.794 0.706 1.00 11.34 C ATOM 842 C GLY A 585 10.794 -38.311 0.946 1.00 61.42 C ATOM 843 O GLY A 585 9.939 -37.626 0.397 1.00 53.10 O ATOM 0 H GLY A 585 9.369 -39.284 -0.727 1.00 3.14 H new ATOM 0 HA2 GLY A 585 10.527 -40.329 1.613 1.00 11.34 H new ATOM 0 HA3 GLY A 585 11.813 -40.126 0.440 1.00 11.34 H new ATOM 847 N GLU A 586 11.740 -37.810 1.724 1.00 33.31 N ATOM 848 CA GLU A 586 11.869 -36.376 1.950 1.00 35.41 C ATOM 849 C GLU A 586 13.233 -35.908 1.508 1.00 3.30 C ATOM 850 O GLU A 586 14.220 -36.634 1.599 1.00 4.45 O ATOM 851 CB GLU A 586 11.661 -36.009 3.416 1.00 14.32 C ATOM 852 CG GLU A 586 10.200 -35.937 3.795 1.00 63.14 C ATOM 853 CD GLU A 586 9.935 -35.084 5.021 1.00 4.20 C ATOM 854 OE1 GLU A 586 10.702 -35.130 5.998 1.00 20.42 O ATOM 855 OE2 GLU A 586 8.928 -34.338 4.990 1.00 61.21 O ATOM 0 H GLU A 586 12.434 -38.377 2.212 1.00 33.31 H new ATOM 0 HA GLU A 586 11.094 -35.882 1.365 1.00 35.41 H new ATOM 0 HB2 GLU A 586 12.160 -36.746 4.046 1.00 14.32 H new ATOM 0 HB3 GLU A 586 12.132 -35.047 3.616 1.00 14.32 H new ATOM 0 HG2 GLU A 586 9.634 -35.537 2.954 1.00 63.14 H new ATOM 0 HG3 GLU A 586 9.830 -36.946 3.977 1.00 63.14 H new ATOM 862 N LEU A 587 13.266 -34.687 1.005 1.00 35.11 N ATOM 863 CA LEU A 587 14.476 -34.092 0.475 1.00 15.40 C ATOM 864 C LEU A 587 14.841 -32.873 1.288 1.00 61.40 C ATOM 865 O LEU A 587 14.060 -31.934 1.367 1.00 63.23 O ATOM 866 CB LEU A 587 14.212 -33.632 -0.952 1.00 70.35 C ATOM 867 CG LEU A 587 13.717 -34.687 -1.937 1.00 33.31 C ATOM 868 CD1 LEU A 587 13.087 -33.990 -3.103 1.00 73.24 C ATOM 869 CD2 LEU A 587 14.817 -35.601 -2.415 1.00 73.03 C ATOM 0 H LEU A 587 12.449 -34.079 0.953 1.00 35.11 H new ATOM 0 HA LEU A 587 15.281 -34.826 0.510 1.00 15.40 H new ATOM 0 HB2 LEU A 587 13.477 -32.828 -0.919 1.00 70.35 H new ATOM 0 HB3 LEU A 587 15.134 -33.205 -1.347 1.00 70.35 H new ATOM 0 HG LEU A 587 12.992 -35.317 -1.422 1.00 33.31 H new ATOM 0 HD11 LEU A 587 12.727 -34.730 -3.818 1.00 73.24 H new ATOM 0 HD12 LEU A 587 12.250 -33.384 -2.756 1.00 73.24 H new ATOM 0 HD13 LEU A 587 13.824 -33.348 -3.585 1.00 73.24 H new ATOM 0 HD21 LEU A 587 14.406 -36.331 -3.113 1.00 73.03 H new ATOM 0 HD22 LEU A 587 15.587 -35.013 -2.915 1.00 73.03 H new ATOM 0 HD23 LEU A 587 15.254 -36.121 -1.563 1.00 73.03 H new ATOM 881 N GLU A 588 16.023 -32.863 1.872 1.00 61.42 N ATOM 882 CA GLU A 588 16.481 -31.681 2.585 1.00 2.14 C ATOM 883 C GLU A 588 17.098 -30.713 1.580 1.00 73.41 C ATOM 884 O GLU A 588 18.078 -31.042 0.913 1.00 23.03 O ATOM 885 CB GLU A 588 17.524 -32.050 3.642 1.00 23.44 C ATOM 886 CG GLU A 588 17.882 -30.875 4.546 1.00 63.15 C ATOM 887 CD GLU A 588 19.098 -31.146 5.418 1.00 11.22 C ATOM 888 OE1 GLU A 588 19.473 -32.318 5.603 1.00 33.43 O ATOM 889 OE2 GLU A 588 19.719 -30.161 5.873 1.00 64.34 O ATOM 0 H GLU A 588 16.677 -33.646 1.870 1.00 61.42 H new ATOM 0 HA GLU A 588 15.632 -31.219 3.089 1.00 2.14 H new ATOM 0 HB2 GLU A 588 17.144 -32.870 4.251 1.00 23.44 H new ATOM 0 HB3 GLU A 588 18.426 -32.411 3.147 1.00 23.44 H new ATOM 0 HG2 GLU A 588 18.071 -29.995 3.931 1.00 63.15 H new ATOM 0 HG3 GLU A 588 17.029 -30.641 5.183 1.00 63.15 H new ATOM 896 N PHE A 589 16.550 -29.514 1.496 1.00 43.23 N ATOM 897 CA PHE A 589 17.142 -28.454 0.684 1.00 62.00 C ATOM 898 C PHE A 589 17.703 -27.447 1.672 1.00 64.34 C ATOM 899 O PHE A 589 16.948 -26.799 2.391 1.00 30.44 O ATOM 900 CB PHE A 589 16.090 -27.745 -0.173 1.00 14.43 C ATOM 901 CG PHE A 589 15.504 -28.594 -1.264 1.00 53.35 C ATOM 902 CD1 PHE A 589 14.518 -29.562 -0.983 1.00 5.41 C ATOM 903 CD2 PHE A 589 15.891 -28.392 -2.602 1.00 61.34 C ATOM 904 CE1 PHE A 589 13.929 -30.305 -2.017 1.00 20.33 C ATOM 905 CE2 PHE A 589 15.295 -29.134 -3.641 1.00 51.13 C ATOM 906 CZ PHE A 589 14.314 -30.096 -3.339 1.00 32.04 C ATOM 0 H PHE A 589 15.693 -29.245 1.980 1.00 43.23 H new ATOM 0 HA PHE A 589 17.893 -28.870 0.012 1.00 62.00 H new ATOM 0 HB2 PHE A 589 15.284 -27.400 0.475 1.00 14.43 H new ATOM 0 HB3 PHE A 589 16.541 -26.859 -0.621 1.00 14.43 H new ATOM 0 HD1 PHE A 589 14.213 -29.733 0.039 1.00 5.41 H new ATOM 0 HD2 PHE A 589 16.652 -27.662 -2.834 1.00 61.34 H new ATOM 0 HE1 PHE A 589 13.174 -31.042 -1.787 1.00 20.33 H new ATOM 0 HE2 PHE A 589 15.590 -28.965 -4.666 1.00 51.13 H new ATOM 0 HZ PHE A 589 13.860 -30.672 -4.132 1.00 32.04 H new ATOM 916 N LYS A 590 19.011 -27.268 1.659 1.00 33.13 N ATOM 917 CA LYS A 590 19.704 -26.395 2.610 1.00 31.41 C ATOM 918 C LYS A 590 20.467 -25.310 1.868 1.00 62.51 C ATOM 919 O LYS A 590 21.547 -25.545 1.350 1.00 50.44 O ATOM 920 CB LYS A 590 20.639 -27.259 3.464 1.00 41.41 C ATOM 921 CG LYS A 590 21.452 -26.498 4.504 1.00 3.04 C ATOM 922 CD LYS A 590 21.800 -27.364 5.732 1.00 40.51 C ATOM 923 CE LYS A 590 22.835 -28.480 5.454 1.00 31.21 C ATOM 924 NZ LYS A 590 22.266 -29.709 4.787 1.00 21.23 N ATOM 0 H LYS A 590 19.632 -27.722 0.989 1.00 33.13 H new ATOM 0 HA LYS A 590 18.987 -25.895 3.261 1.00 31.41 H new ATOM 0 HB2 LYS A 590 20.044 -28.016 3.974 1.00 41.41 H new ATOM 0 HB3 LYS A 590 21.327 -27.786 2.802 1.00 41.41 H new ATOM 0 HG2 LYS A 590 22.373 -26.136 4.047 1.00 3.04 H new ATOM 0 HG3 LYS A 590 20.891 -25.622 4.829 1.00 3.04 H new ATOM 0 HD2 LYS A 590 22.184 -26.717 6.521 1.00 40.51 H new ATOM 0 HD3 LYS A 590 20.885 -27.820 6.111 1.00 40.51 H new ATOM 0 HE2 LYS A 590 23.628 -28.075 4.825 1.00 31.21 H new ATOM 0 HE3 LYS A 590 23.296 -28.774 6.397 1.00 31.21 H new ATOM 0 HZ1 LYS A 590 22.768 -30.553 5.129 1.00 21.23 H new ATOM 0 HZ2 LYS A 590 21.255 -29.791 5.016 1.00 21.23 H new ATOM 0 HZ3 LYS A 590 22.383 -29.630 3.757 1.00 21.23 H new ATOM 938 N ASN A 591 19.852 -24.136 1.800 1.00 14.25 N ATOM 939 CA ASN A 591 20.347 -22.954 1.089 1.00 74.40 C ATOM 940 C ASN A 591 20.881 -23.177 -0.341 1.00 1.55 C ATOM 941 O ASN A 591 20.152 -22.941 -1.295 1.00 11.21 O ATOM 942 CB ASN A 591 21.379 -22.232 1.963 1.00 10.14 C ATOM 943 CG ASN A 591 21.768 -20.875 1.411 1.00 23.44 C ATOM 944 OD1 ASN A 591 20.851 -20.209 0.759 1.00 44.23 O flip ATOM 945 ND2 ASN A 591 22.880 -20.430 1.593 1.00 41.42 N flip ATOM 0 H ASN A 591 18.955 -23.970 2.257 1.00 14.25 H new ATOM 0 HA ASN A 591 19.466 -22.334 0.923 1.00 74.40 H new ATOM 0 HB2 ASN A 591 20.975 -22.108 2.968 1.00 10.14 H new ATOM 0 HB3 ASN A 591 22.271 -22.852 2.052 1.00 10.14 H new ATOM 0 HD21 ASN A 591 23.571 -20.978 2.106 1.00 41.42 H new ATOM 0 HD22 ASN A 591 23.126 -19.508 1.233 1.00 41.42 H new ATOM 952 N ASP A 592 22.138 -23.570 -0.467 1.00 21.15 N ATOM 953 CA ASP A 592 22.809 -23.757 -1.770 1.00 32.11 C ATOM 954 C ASP A 592 22.482 -25.124 -2.393 1.00 64.02 C ATOM 955 O ASP A 592 22.456 -25.293 -3.604 1.00 61.31 O ATOM 956 CB ASP A 592 24.321 -23.631 -1.588 1.00 53.24 C ATOM 957 CG ASP A 592 25.032 -23.289 -2.884 1.00 4.21 C ATOM 958 OD1 ASP A 592 24.526 -22.416 -3.625 1.00 42.45 O ATOM 959 OD2 ASP A 592 26.120 -23.843 -3.134 1.00 0.12 O ATOM 0 H ASP A 592 22.738 -23.774 0.332 1.00 21.15 H new ATOM 0 HA ASP A 592 22.443 -22.985 -2.446 1.00 32.11 H new ATOM 0 HB2 ASP A 592 24.532 -22.861 -0.846 1.00 53.24 H new ATOM 0 HB3 ASP A 592 24.717 -24.568 -1.196 1.00 53.24 H new ATOM 964 N GLU A 593 22.092 -26.043 -1.522 1.00 62.23 N ATOM 965 CA GLU A 593 21.545 -27.384 -1.841 1.00 35.30 C ATOM 966 C GLU A 593 20.188 -27.338 -2.555 1.00 43.34 C ATOM 967 O GLU A 593 19.367 -28.245 -2.446 1.00 3.30 O ATOM 968 CB GLU A 593 21.480 -28.273 -0.607 1.00 60.42 C ATOM 969 CG GLU A 593 22.835 -28.600 -0.008 1.00 42.30 C ATOM 970 CD GLU A 593 22.708 -29.534 1.177 1.00 60.05 C ATOM 971 OE1 GLU A 593 21.922 -30.505 1.086 1.00 64.41 O ATOM 972 OE2 GLU A 593 23.334 -29.275 2.223 1.00 3.12 O ATOM 0 H GLU A 593 22.145 -25.880 -0.517 1.00 62.23 H new ATOM 0 HA GLU A 593 22.249 -27.825 -2.547 1.00 35.30 H new ATOM 0 HB2 GLU A 593 20.869 -27.782 0.150 1.00 60.42 H new ATOM 0 HB3 GLU A 593 20.976 -29.203 -0.869 1.00 60.42 H new ATOM 0 HG2 GLU A 593 23.468 -29.058 -0.767 1.00 42.30 H new ATOM 0 HG3 GLU A 593 23.327 -27.679 0.305 1.00 42.30 H new ATOM 979 N THR A 594 19.889 -26.170 -3.091 1.00 3.31 N ATOM 980 CA THR A 594 18.595 -25.782 -3.616 1.00 20.40 C ATOM 981 C THR A 594 18.341 -26.537 -4.930 1.00 70.23 C ATOM 982 O THR A 594 17.216 -26.585 -5.439 1.00 61.12 O ATOM 983 CB THR A 594 18.697 -24.234 -3.852 1.00 74.04 C ATOM 984 OG1 THR A 594 17.924 -23.554 -2.868 1.00 55.33 O ATOM 985 CG2 THR A 594 18.310 -23.765 -5.249 1.00 1.20 C ATOM 0 H THR A 594 20.581 -25.426 -3.176 1.00 3.31 H new ATOM 0 HA THR A 594 17.769 -26.019 -2.945 1.00 20.40 H new ATOM 0 HB THR A 594 19.755 -23.987 -3.759 1.00 74.04 H new ATOM 0 HG1 THR A 594 18.514 -23.223 -2.159 1.00 55.33 H new ATOM 0 HG21 THR A 594 18.414 -22.682 -5.311 1.00 1.20 H new ATOM 0 HG22 THR A 594 18.963 -24.235 -5.984 1.00 1.20 H new ATOM 0 HG23 THR A 594 17.276 -24.042 -5.452 1.00 1.20 H new ATOM 993 N VAL A 595 19.360 -27.259 -5.374 1.00 10.10 N ATOM 994 CA VAL A 595 19.238 -28.205 -6.472 1.00 62.51 C ATOM 995 C VAL A 595 19.270 -29.595 -5.842 1.00 5.44 C ATOM 996 O VAL A 595 20.197 -29.923 -5.096 1.00 12.43 O ATOM 997 CB VAL A 595 20.419 -28.078 -7.474 1.00 60.25 C ATOM 998 CG1 VAL A 595 19.996 -28.581 -8.859 1.00 73.30 C ATOM 999 CG2 VAL A 595 20.912 -26.619 -7.555 1.00 50.34 C ATOM 0 H VAL A 595 20.299 -27.204 -4.980 1.00 10.10 H new ATOM 0 HA VAL A 595 18.319 -28.015 -7.027 1.00 62.51 H new ATOM 0 HB VAL A 595 21.243 -28.695 -7.116 1.00 60.25 H new ATOM 0 HG11 VAL A 595 20.832 -28.487 -9.552 1.00 73.30 H new ATOM 0 HG12 VAL A 595 19.698 -29.627 -8.791 1.00 73.30 H new ATOM 0 HG13 VAL A 595 19.157 -27.987 -9.221 1.00 73.30 H new ATOM 0 HG21 VAL A 595 21.739 -26.553 -8.262 1.00 50.34 H new ATOM 0 HG22 VAL A 595 20.097 -25.977 -7.889 1.00 50.34 H new ATOM 0 HG23 VAL A 595 21.249 -26.294 -6.571 1.00 50.34 H new ATOM 1009 N LYS A 596 18.248 -30.396 -6.099 1.00 43.11 N ATOM 1010 CA LYS A 596 18.158 -31.742 -5.525 1.00 72.22 C ATOM 1011 C LYS A 596 17.498 -32.666 -6.522 1.00 73.01 C ATOM 1012 O LYS A 596 17.016 -32.201 -7.543 1.00 61.22 O ATOM 1013 CB LYS A 596 17.342 -31.686 -4.231 1.00 64.45 C ATOM 1014 CG LYS A 596 17.573 -32.834 -3.241 1.00 64.10 C ATOM 1015 CD LYS A 596 19.013 -32.938 -2.744 1.00 12.15 C ATOM 1016 CE LYS A 596 19.402 -31.702 -1.932 1.00 73.13 C ATOM 1017 NZ LYS A 596 20.427 -31.992 -0.866 1.00 71.42 N ATOM 0 H LYS A 596 17.465 -30.143 -6.701 1.00 43.11 H new ATOM 0 HA LYS A 596 19.155 -32.119 -5.299 1.00 72.22 H new ATOM 0 HB2 LYS A 596 17.564 -30.746 -3.725 1.00 64.45 H new ATOM 0 HB3 LYS A 596 16.284 -31.665 -4.492 1.00 64.45 H new ATOM 0 HG2 LYS A 596 16.912 -32.702 -2.385 1.00 64.10 H new ATOM 0 HG3 LYS A 596 17.294 -33.774 -3.717 1.00 64.10 H new ATOM 0 HD2 LYS A 596 19.126 -33.831 -2.130 1.00 12.15 H new ATOM 0 HD3 LYS A 596 19.688 -33.047 -3.593 1.00 12.15 H new ATOM 0 HE2 LYS A 596 19.794 -30.940 -2.606 1.00 73.13 H new ATOM 0 HE3 LYS A 596 18.509 -31.286 -1.465 1.00 73.13 H new ATOM 0 HZ1 LYS A 596 20.512 -31.171 -0.234 1.00 71.42 H new ATOM 0 HZ2 LYS A 596 20.130 -32.823 -0.316 1.00 71.42 H new ATOM 0 HZ3 LYS A 596 21.347 -32.183 -1.312 1.00 71.42 H new ATOM 1031 N THR A 597 17.466 -33.957 -6.244 1.00 32.22 N ATOM 1032 CA THR A 597 16.891 -34.917 -7.156 1.00 2.54 C ATOM 1033 C THR A 597 16.029 -35.960 -6.451 1.00 65.20 C ATOM 1034 O THR A 597 16.248 -36.274 -5.285 1.00 12.25 O ATOM 1035 CB THR A 597 18.033 -35.654 -7.838 1.00 1.21 C ATOM 1036 OG1 THR A 597 19.261 -35.340 -7.173 1.00 11.43 O ATOM 1037 CG2 THR A 597 18.182 -35.265 -9.305 1.00 15.43 C ATOM 0 H THR A 597 17.836 -34.363 -5.385 1.00 32.22 H new ATOM 0 HA THR A 597 16.258 -34.371 -7.856 1.00 2.54 H new ATOM 0 HB THR A 597 17.806 -36.719 -7.784 1.00 1.21 H new ATOM 0 HG1 THR A 597 20.000 -35.815 -7.609 1.00 11.43 H new ATOM 0 HG21 THR A 597 19.011 -35.819 -9.746 1.00 15.43 H new ATOM 0 HG22 THR A 597 17.262 -35.502 -9.839 1.00 15.43 H new ATOM 0 HG23 THR A 597 18.380 -34.196 -9.380 1.00 15.43 H new ATOM 1045 N ILE A 598 15.072 -36.503 -7.191 1.00 65.54 N ATOM 1046 CA ILE A 598 14.193 -37.580 -6.733 1.00 34.12 C ATOM 1047 C ILE A 598 14.501 -38.766 -7.607 1.00 4.04 C ATOM 1048 O ILE A 598 14.550 -38.628 -8.809 1.00 2.22 O ATOM 1049 CB ILE A 598 12.693 -37.223 -6.916 1.00 44.32 C ATOM 1050 CG1 ILE A 598 12.328 -36.146 -5.902 1.00 74.31 C ATOM 1051 CG2 ILE A 598 11.791 -38.496 -6.758 1.00 11.35 C ATOM 1052 CD1 ILE A 598 10.981 -35.485 -6.102 1.00 44.34 C ATOM 0 H ILE A 598 14.878 -36.204 -8.147 1.00 65.54 H new ATOM 0 HA ILE A 598 14.362 -37.766 -5.672 1.00 34.12 H new ATOM 0 HB ILE A 598 12.521 -36.842 -7.923 1.00 44.32 H new ATOM 0 HG12 ILE A 598 12.351 -36.588 -4.906 1.00 74.31 H new ATOM 0 HG13 ILE A 598 13.098 -35.375 -5.926 1.00 74.31 H new ATOM 0 HG21 ILE A 598 10.745 -38.220 -6.891 1.00 11.35 H new ATOM 0 HG22 ILE A 598 12.069 -39.235 -7.510 1.00 11.35 H new ATOM 0 HG23 ILE A 598 11.931 -38.920 -5.764 1.00 11.35 H new ATOM 0 HD11 ILE A 598 10.824 -34.736 -5.326 1.00 44.34 H new ATOM 0 HD12 ILE A 598 10.953 -35.005 -7.080 1.00 44.34 H new ATOM 0 HD13 ILE A 598 10.194 -36.237 -6.044 1.00 44.34 H new ATOM 1064 N ARG A 599 14.695 -39.918 -6.988 1.00 43.04 N ATOM 1065 CA ARG A 599 15.018 -41.163 -7.699 1.00 1.15 C ATOM 1066 C ARG A 599 13.912 -42.176 -7.513 1.00 23.44 C ATOM 1067 O ARG A 599 13.381 -42.296 -6.417 1.00 11.44 O ATOM 1068 CB ARG A 599 16.320 -41.764 -7.168 1.00 23.43 C ATOM 1069 CG ARG A 599 17.550 -41.083 -7.711 1.00 24.11 C ATOM 1070 CD ARG A 599 18.836 -41.736 -7.246 1.00 55.43 C ATOM 1071 NE ARG A 599 19.035 -41.603 -5.795 1.00 33.03 N ATOM 1072 CZ ARG A 599 20.053 -42.116 -5.118 1.00 55.11 C ATOM 1073 NH1 ARG A 599 21.007 -42.799 -5.702 1.00 3.11 N ATOM 1074 NH2 ARG A 599 20.111 -41.939 -3.827 1.00 24.13 N ATOM 0 H ARG A 599 14.635 -40.026 -5.976 1.00 43.04 H new ATOM 0 HA ARG A 599 15.129 -40.923 -8.757 1.00 1.15 H new ATOM 0 HB2 ARG A 599 16.326 -41.699 -6.080 1.00 23.43 H new ATOM 0 HB3 ARG A 599 16.355 -42.823 -7.424 1.00 23.43 H new ATOM 0 HG2 ARG A 599 17.515 -41.095 -8.800 1.00 24.11 H new ATOM 0 HG3 ARG A 599 17.547 -40.037 -7.403 1.00 24.11 H new ATOM 0 HD2 ARG A 599 18.822 -42.793 -7.513 1.00 55.43 H new ATOM 0 HD3 ARG A 599 19.680 -41.286 -7.769 1.00 55.43 H new ATOM 0 HE ARG A 599 18.337 -41.076 -5.270 1.00 33.03 H new ATOM 0 HH11 ARG A 599 20.982 -42.951 -6.710 1.00 3.11 H new ATOM 0 HH12 ARG A 599 21.775 -43.179 -5.148 1.00 3.11 H new ATOM 0 HH21 ARG A 599 19.379 -41.412 -3.351 1.00 24.13 H new ATOM 0 HH22 ARG A 599 20.888 -42.328 -3.293 1.00 24.13 H new ATOM 1088 N VAL A 600 13.600 -42.909 -8.571 1.00 52.04 N ATOM 1089 CA VAL A 600 12.570 -43.960 -8.548 1.00 61.24 C ATOM 1090 C VAL A 600 13.215 -45.180 -9.192 1.00 2.34 C ATOM 1091 O VAL A 600 13.972 -45.023 -10.142 1.00 32.23 O ATOM 1092 CB VAL A 600 11.246 -43.518 -9.341 1.00 23.42 C ATOM 1093 CG1 VAL A 600 11.060 -41.987 -9.313 1.00 14.41 C ATOM 1094 CG2 VAL A 600 11.029 -44.285 -10.553 1.00 34.02 C ATOM 0 H VAL A 600 14.051 -42.798 -9.479 1.00 52.04 H new ATOM 0 HA VAL A 600 12.244 -44.166 -7.529 1.00 61.24 H new ATOM 0 HB VAL A 600 10.343 -43.825 -8.814 1.00 23.42 H new ATOM 0 HG11 VAL A 600 10.155 -41.720 -9.859 1.00 14.41 H new ATOM 0 HG12 VAL A 600 10.974 -41.650 -8.280 1.00 14.41 H new ATOM 0 HG13 VAL A 600 11.920 -41.507 -9.781 1.00 14.41 H new ATOM 0 HG21 VAL A 600 10.119 -43.940 -11.044 1.00 34.02 H new ATOM 0 HG22 VAL A 600 11.877 -44.152 -11.225 1.00 34.02 H new ATOM 0 HG23 VAL A 600 10.927 -45.341 -10.302 1.00 34.02 H new ATOM 1104 N LYS A 601 12.952 -46.373 -8.679 1.00 63.22 N ATOM 1105 CA LYS A 601 13.480 -47.601 -9.286 1.00 52.15 C ATOM 1106 C LYS A 601 12.413 -48.156 -10.216 1.00 72.15 C ATOM 1107 O LYS A 601 11.271 -48.330 -9.802 1.00 42.34 O ATOM 1108 CB LYS A 601 13.821 -48.644 -8.216 1.00 42.42 C ATOM 1109 CG LYS A 601 14.736 -49.762 -8.736 1.00 24.42 C ATOM 1110 CD LYS A 601 14.324 -51.142 -8.227 1.00 35.10 C ATOM 1111 CE LYS A 601 13.218 -51.739 -9.096 1.00 62.31 C ATOM 1112 NZ LYS A 601 12.806 -53.103 -8.635 1.00 34.40 N ATOM 0 H LYS A 601 12.380 -46.524 -7.848 1.00 63.22 H new ATOM 0 HA LYS A 601 14.396 -47.373 -9.832 1.00 52.15 H new ATOM 0 HB2 LYS A 601 14.305 -48.148 -7.375 1.00 42.42 H new ATOM 0 HB3 LYS A 601 12.898 -49.084 -7.838 1.00 42.42 H new ATOM 0 HG2 LYS A 601 14.721 -49.761 -9.826 1.00 24.42 H new ATOM 0 HG3 LYS A 601 15.762 -49.558 -8.431 1.00 24.42 H new ATOM 0 HD2 LYS A 601 15.188 -51.806 -8.226 1.00 35.10 H new ATOM 0 HD3 LYS A 601 13.979 -51.065 -7.196 1.00 35.10 H new ATOM 0 HE2 LYS A 601 12.352 -51.077 -9.084 1.00 62.31 H new ATOM 0 HE3 LYS A 601 13.561 -51.795 -10.129 1.00 62.31 H new ATOM 0 HZ1 LYS A 601 12.266 -53.576 -9.388 1.00 34.40 H new ATOM 0 HZ2 LYS A 601 13.653 -53.664 -8.411 1.00 34.40 H new ATOM 0 HZ3 LYS A 601 12.213 -53.018 -7.785 1.00 34.40 H new ATOM 1126 N ILE A 602 12.771 -48.410 -11.461 1.00 21.10 N ATOM 1127 CA ILE A 602 11.832 -48.928 -12.454 1.00 3.10 C ATOM 1128 C ILE A 602 11.989 -50.447 -12.414 1.00 43.11 C ATOM 1129 O ILE A 602 13.099 -50.943 -12.223 1.00 21.22 O ATOM 1130 CB ILE A 602 12.101 -48.320 -13.878 1.00 74.51 C ATOM 1131 CG1 ILE A 602 12.277 -46.772 -13.766 1.00 23.33 C ATOM 1132 CG2 ILE A 602 10.929 -48.689 -14.834 1.00 42.53 C ATOM 1133 CD1 ILE A 602 11.013 -46.020 -13.361 1.00 53.31 C ATOM 0 H ILE A 602 13.716 -48.266 -11.817 1.00 21.10 H new ATOM 0 HA ILE A 602 10.804 -48.644 -12.229 1.00 3.10 H new ATOM 0 HB ILE A 602 13.020 -48.736 -14.290 1.00 74.51 H new ATOM 0 HG12 ILE A 602 13.060 -46.560 -13.038 1.00 23.33 H new ATOM 0 HG13 ILE A 602 12.622 -46.388 -14.726 1.00 23.33 H new ATOM 0 HG21 ILE A 602 11.118 -48.266 -15.821 1.00 42.53 H new ATOM 0 HG22 ILE A 602 10.851 -49.773 -14.912 1.00 42.53 H new ATOM 0 HG23 ILE A 602 9.997 -48.286 -14.439 1.00 42.53 H new ATOM 0 HD11 ILE A 602 11.226 -44.952 -13.308 1.00 53.31 H new ATOM 0 HD12 ILE A 602 10.232 -46.197 -14.100 1.00 53.31 H new ATOM 0 HD13 ILE A 602 10.677 -46.372 -12.386 1.00 53.31 H new ATOM 1145 N VAL A 603 10.877 -51.163 -12.448 1.00 22.03 N ATOM 1146 CA VAL A 603 10.852 -52.616 -12.228 1.00 11.41 C ATOM 1147 C VAL A 603 10.834 -53.352 -13.577 1.00 24.41 C ATOM 1148 O VAL A 603 10.247 -52.875 -14.536 1.00 74.35 O ATOM 1149 CB VAL A 603 9.582 -52.968 -11.387 1.00 20.42 C ATOM 1150 CG1 VAL A 603 9.420 -54.472 -11.156 1.00 54.45 C ATOM 1151 CG2 VAL A 603 9.620 -52.273 -10.013 1.00 73.34 C ATOM 0 H VAL A 603 9.958 -50.759 -12.629 1.00 22.03 H new ATOM 0 HA VAL A 603 11.744 -52.931 -11.687 1.00 11.41 H new ATOM 0 HB VAL A 603 8.734 -52.613 -11.973 1.00 20.42 H new ATOM 0 HG11 VAL A 603 8.522 -54.655 -10.567 1.00 54.45 H new ATOM 0 HG12 VAL A 603 9.334 -54.980 -12.116 1.00 54.45 H new ATOM 0 HG13 VAL A 603 10.289 -54.854 -10.620 1.00 54.45 H new ATOM 0 HG21 VAL A 603 8.725 -52.534 -9.448 1.00 73.34 H new ATOM 0 HG22 VAL A 603 10.504 -52.599 -9.465 1.00 73.34 H new ATOM 0 HG23 VAL A 603 9.658 -51.193 -10.153 1.00 73.34 H new ATOM 1295 N GLU A 612 3.107 -47.103 -20.548 1.00 31.41 N ATOM 1296 CA GLU A 612 2.526 -46.796 -19.254 1.00 53.03 C ATOM 1297 C GLU A 612 3.114 -45.435 -18.881 1.00 23.12 C ATOM 1298 O GLU A 612 4.055 -44.960 -19.534 1.00 33.44 O ATOM 1299 CB GLU A 612 2.835 -47.899 -18.228 1.00 12.40 C ATOM 1300 CG GLU A 612 2.063 -49.225 -18.483 1.00 71.30 C ATOM 1301 CD GLU A 612 0.586 -49.188 -18.037 1.00 21.22 C ATOM 1302 OE1 GLU A 612 -0.190 -48.331 -18.523 1.00 51.14 O ATOM 1303 OE2 GLU A 612 0.184 -50.073 -17.237 1.00 75.30 O ATOM 0 HA GLU A 612 1.437 -46.753 -19.276 1.00 53.03 H new ATOM 0 HB2 GLU A 612 3.905 -48.104 -18.240 1.00 12.40 H new ATOM 0 HB3 GLU A 612 2.592 -47.533 -17.230 1.00 12.40 H new ATOM 0 HG2 GLU A 612 2.105 -49.459 -19.547 1.00 71.30 H new ATOM 0 HG3 GLU A 612 2.570 -50.035 -17.959 1.00 71.30 H new ATOM 1310 N ASN A 613 2.511 -44.755 -17.920 1.00 41.34 N ATOM 1311 CA ASN A 613 2.865 -43.379 -17.611 1.00 0.14 C ATOM 1312 C ASN A 613 2.695 -43.097 -16.131 1.00 10.10 C ATOM 1313 O ASN A 613 1.749 -43.574 -15.497 1.00 64.43 O ATOM 1314 CB ASN A 613 1.975 -42.441 -18.433 1.00 12.23 C ATOM 1315 CG ASN A 613 1.146 -41.512 -17.583 1.00 31.11 C ATOM 1316 OD1 ASN A 613 0.034 -41.819 -17.184 1.00 74.02 O ATOM 1317 ND2 ASN A 613 1.675 -40.359 -17.331 1.00 42.22 N ATOM 0 H ASN A 613 1.768 -45.137 -17.336 1.00 41.34 H new ATOM 0 HA ASN A 613 3.912 -43.213 -17.865 1.00 0.14 H new ATOM 0 HB2 ASN A 613 2.601 -41.850 -19.101 1.00 12.23 H new ATOM 0 HB3 ASN A 613 1.312 -43.037 -19.061 1.00 12.23 H new ATOM 0 HD21 ASN A 613 1.160 -39.671 -16.782 1.00 42.22 H new ATOM 0 HD22 ASN A 613 2.607 -40.138 -17.681 1.00 42.22 H new ATOM 1324 N PHE A 614 3.580 -42.281 -15.578 1.00 70.34 N ATOM 1325 CA PHE A 614 3.402 -41.869 -14.189 1.00 62.34 C ATOM 1326 C PHE A 614 3.852 -40.448 -13.981 1.00 21.21 C ATOM 1327 O PHE A 614 4.284 -39.804 -14.917 1.00 61.01 O ATOM 1328 CB PHE A 614 4.076 -42.863 -13.232 1.00 52.13 C ATOM 1329 CG PHE A 614 5.574 -42.686 -13.042 1.00 23.43 C ATOM 1330 CD1 PHE A 614 6.514 -43.336 -13.866 1.00 31.55 C ATOM 1331 CD2 PHE A 614 6.053 -41.939 -11.963 1.00 30.13 C ATOM 1332 CE1 PHE A 614 7.903 -43.268 -13.573 1.00 21.10 C ATOM 1333 CE2 PHE A 614 7.438 -41.849 -11.692 1.00 74.40 C ATOM 1334 CZ PHE A 614 8.349 -42.519 -12.493 1.00 72.23 C ATOM 0 H PHE A 614 4.402 -41.901 -16.047 1.00 70.34 H new ATOM 0 HA PHE A 614 2.338 -41.887 -13.954 1.00 62.34 H new ATOM 0 HB2 PHE A 614 3.593 -42.785 -12.258 1.00 52.13 H new ATOM 0 HB3 PHE A 614 3.892 -43.873 -13.598 1.00 52.13 H new ATOM 0 HD1 PHE A 614 6.176 -43.891 -14.728 1.00 31.55 H new ATOM 0 HD2 PHE A 614 5.353 -41.421 -11.324 1.00 30.13 H new ATOM 0 HE1 PHE A 614 8.612 -43.799 -14.191 1.00 21.10 H new ATOM 0 HE2 PHE A 614 7.787 -41.257 -10.859 1.00 74.40 H new ATOM 0 HZ PHE A 614 9.405 -42.458 -12.277 1.00 72.23 H new ATOM 1344 N PHE A 615 3.717 -39.935 -12.773 1.00 12.01 N ATOM 1345 CA PHE A 615 4.217 -38.611 -12.448 1.00 40.04 C ATOM 1346 C PHE A 615 4.622 -38.616 -10.986 1.00 30.33 C ATOM 1347 O PHE A 615 4.264 -39.515 -10.259 1.00 63.51 O ATOM 1348 CB PHE A 615 3.172 -37.518 -12.725 1.00 24.11 C ATOM 1349 CG PHE A 615 1.795 -38.037 -13.037 1.00 71.32 C ATOM 1350 CD1 PHE A 615 1.445 -38.375 -14.357 1.00 33.53 C ATOM 1351 CD2 PHE A 615 0.832 -38.165 -12.026 1.00 4.35 C ATOM 1352 CE1 PHE A 615 0.158 -38.857 -14.666 1.00 33.42 C ATOM 1353 CE2 PHE A 615 -0.471 -38.644 -12.323 1.00 60.53 C ATOM 1354 CZ PHE A 615 -0.802 -38.996 -13.648 1.00 53.12 C ATOM 0 H PHE A 615 3.263 -40.417 -11.997 1.00 12.01 H new ATOM 0 HA PHE A 615 5.074 -38.380 -13.081 1.00 40.04 H new ATOM 0 HB2 PHE A 615 3.111 -36.862 -11.856 1.00 24.11 H new ATOM 0 HB3 PHE A 615 3.515 -36.908 -13.561 1.00 24.11 H new ATOM 0 HD1 PHE A 615 2.174 -38.263 -15.146 1.00 33.53 H new ATOM 0 HD2 PHE A 615 1.084 -37.896 -11.011 1.00 4.35 H new ATOM 0 HE1 PHE A 615 -0.091 -39.119 -15.684 1.00 33.42 H new ATOM 0 HE2 PHE A 615 -1.206 -38.738 -11.537 1.00 60.53 H new ATOM 0 HZ PHE A 615 -1.788 -39.371 -13.880 1.00 53.12 H new ATOM 1364 N ILE A 616 5.377 -37.625 -10.541 1.00 71.25 N ATOM 1365 CA ILE A 616 5.808 -37.564 -9.140 1.00 34.42 C ATOM 1366 C ILE A 616 5.415 -36.206 -8.629 1.00 64.11 C ATOM 1367 O ILE A 616 5.795 -35.203 -9.218 1.00 0.23 O ATOM 1368 CB ILE A 616 7.352 -37.691 -8.989 1.00 23.32 C ATOM 1369 CG1 ILE A 616 7.898 -38.821 -9.874 1.00 23.42 C ATOM 1370 CG2 ILE A 616 7.738 -37.942 -7.507 1.00 20.43 C ATOM 1371 CD1 ILE A 616 9.401 -38.832 -9.979 1.00 1.30 C ATOM 0 H ILE A 616 5.706 -36.852 -11.120 1.00 71.25 H new ATOM 0 HA ILE A 616 5.347 -38.387 -8.594 1.00 34.42 H new ATOM 0 HB ILE A 616 7.799 -36.751 -9.313 1.00 23.32 H new ATOM 0 HG12 ILE A 616 7.563 -39.778 -9.475 1.00 23.42 H new ATOM 0 HG13 ILE A 616 7.473 -38.726 -10.873 1.00 23.42 H new ATOM 0 HG21 ILE A 616 8.821 -38.028 -7.423 1.00 20.43 H new ATOM 0 HG22 ILE A 616 7.391 -37.110 -6.895 1.00 20.43 H new ATOM 0 HG23 ILE A 616 7.273 -38.865 -7.161 1.00 20.43 H new ATOM 0 HD11 ILE A 616 9.715 -39.656 -10.619 1.00 1.30 H new ATOM 0 HD12 ILE A 616 9.743 -37.890 -10.407 1.00 1.30 H new ATOM 0 HD13 ILE A 616 9.834 -38.958 -8.987 1.00 1.30 H new ATOM 1383 N ALA A 617 4.641 -36.157 -7.560 1.00 44.55 N ATOM 1384 CA ALA A 617 4.195 -34.883 -7.020 1.00 54.51 C ATOM 1385 C ALA A 617 4.831 -34.666 -5.652 1.00 23.22 C ATOM 1386 O ALA A 617 4.890 -35.595 -4.840 1.00 10.11 O ATOM 1387 CB ALA A 617 2.658 -34.875 -6.915 1.00 52.45 C ATOM 0 H ALA A 617 4.310 -36.977 -7.051 1.00 44.55 H new ATOM 0 HA ALA A 617 4.500 -34.072 -7.681 1.00 54.51 H new ATOM 0 HB1 ALA A 617 2.326 -33.919 -6.510 1.00 52.45 H new ATOM 0 HB2 ALA A 617 2.225 -35.020 -7.905 1.00 52.45 H new ATOM 0 HB3 ALA A 617 2.334 -35.680 -6.256 1.00 52.45 H new ATOM 1393 N LEU A 618 5.295 -33.453 -5.383 1.00 51.12 N ATOM 1394 CA LEU A 618 5.790 -33.133 -4.057 1.00 24.53 C ATOM 1395 C LEU A 618 4.598 -33.050 -3.118 1.00 41.13 C ATOM 1396 O LEU A 618 3.515 -32.647 -3.526 1.00 52.33 O ATOM 1397 CB LEU A 618 6.548 -31.799 -4.035 1.00 5.11 C ATOM 1398 CG LEU A 618 7.859 -31.670 -4.843 1.00 31.10 C ATOM 1399 CD1 LEU A 618 8.595 -32.978 -4.997 1.00 4.43 C ATOM 1400 CD2 LEU A 618 7.600 -31.011 -6.160 1.00 62.20 C ATOM 0 H LEU A 618 5.338 -32.687 -6.055 1.00 51.12 H new ATOM 0 HA LEU A 618 6.488 -33.910 -3.746 1.00 24.53 H new ATOM 0 HB2 LEU A 618 5.865 -31.027 -4.389 1.00 5.11 H new ATOM 0 HB3 LEU A 618 6.778 -31.568 -2.995 1.00 5.11 H new ATOM 0 HG LEU A 618 8.528 -31.031 -4.266 1.00 31.10 H new ATOM 0 HD11 LEU A 618 9.506 -32.817 -5.574 1.00 4.43 H new ATOM 0 HD12 LEU A 618 8.853 -33.368 -4.013 1.00 4.43 H new ATOM 0 HD13 LEU A 618 7.959 -33.695 -5.516 1.00 4.43 H new ATOM 0 HD21 LEU A 618 8.534 -30.928 -6.715 1.00 62.20 H new ATOM 0 HD22 LEU A 618 6.889 -31.608 -6.732 1.00 62.20 H new ATOM 0 HD23 LEU A 618 7.187 -30.016 -5.994 1.00 62.20 H new ATOM 1412 N GLY A 619 4.819 -33.419 -1.867 1.00 72.45 N ATOM 1413 CA GLY A 619 3.783 -33.344 -0.854 1.00 11.54 C ATOM 1414 C GLY A 619 3.489 -31.901 -0.474 1.00 13.43 C ATOM 1415 O GLY A 619 2.597 -31.258 -1.008 1.00 10.44 O ATOM 0 H GLY A 619 5.713 -33.775 -1.529 1.00 72.45 H new ATOM 0 HA2 GLY A 619 2.874 -33.818 -1.224 1.00 11.54 H new ATOM 0 HA3 GLY A 619 4.095 -33.900 0.031 1.00 11.54 H new ATOM 1419 N GLU A 620 4.291 -31.382 0.445 1.00 71.44 N ATOM 1420 CA GLU A 620 4.185 -30.002 0.911 1.00 53.12 C ATOM 1421 C GLU A 620 5.567 -29.575 1.360 1.00 34.21 C ATOM 1422 O GLU A 620 6.163 -30.223 2.221 1.00 34.30 O ATOM 1423 CB GLU A 620 3.289 -29.885 2.140 1.00 42.11 C ATOM 1424 CG GLU A 620 1.820 -29.788 1.860 1.00 44.02 C ATOM 1425 CD GLU A 620 1.033 -29.544 3.140 1.00 50.40 C ATOM 1426 OE1 GLU A 620 1.156 -30.364 4.080 1.00 40.13 O ATOM 1427 OE2 GLU A 620 0.347 -28.503 3.234 1.00 62.32 O ATOM 0 H GLU A 620 5.040 -31.909 0.893 1.00 71.44 H new ATOM 0 HA GLU A 620 3.774 -29.397 0.103 1.00 53.12 H new ATOM 0 HB2 GLU A 620 3.463 -30.751 2.779 1.00 42.11 H new ATOM 0 HB3 GLU A 620 3.592 -29.005 2.707 1.00 42.11 H new ATOM 0 HG2 GLU A 620 1.634 -28.978 1.155 1.00 44.02 H new ATOM 0 HG3 GLU A 620 1.475 -30.708 1.387 1.00 44.02 H new ATOM 1434 N PRO A 621 6.100 -28.486 0.807 1.00 61.20 N ATOM 1435 CA PRO A 621 7.401 -28.050 1.309 1.00 41.41 C ATOM 1436 C PRO A 621 7.268 -27.496 2.732 1.00 3.23 C ATOM 1437 O PRO A 621 6.389 -26.687 3.022 1.00 22.01 O ATOM 1438 CB PRO A 621 7.808 -26.987 0.290 1.00 61.14 C ATOM 1439 CG PRO A 621 6.504 -26.430 -0.195 1.00 21.11 C ATOM 1440 CD PRO A 621 5.586 -27.595 -0.246 1.00 75.55 C ATOM 0 HA PRO A 621 8.144 -28.843 1.395 1.00 41.41 H new ATOM 0 HB2 PRO A 621 8.427 -26.214 0.745 1.00 61.14 H new ATOM 0 HB3 PRO A 621 8.386 -27.418 -0.527 1.00 61.14 H new ATOM 0 HG2 PRO A 621 6.128 -25.660 0.479 1.00 21.11 H new ATOM 0 HG3 PRO A 621 6.612 -25.969 -1.177 1.00 21.11 H new ATOM 0 HD2 PRO A 621 4.554 -27.301 -0.054 1.00 75.55 H new ATOM 0 HD3 PRO A 621 5.604 -28.077 -1.223 1.00 75.55 H new ATOM 1448 N LYS A 622 8.115 -27.965 3.637 1.00 23.00 N ATOM 1449 CA LYS A 622 8.044 -27.576 5.049 1.00 20.22 C ATOM 1450 C LYS A 622 9.371 -26.986 5.455 1.00 32.01 C ATOM 1451 O LYS A 622 10.412 -27.538 5.177 1.00 13.02 O ATOM 1452 CB LYS A 622 7.726 -28.797 5.914 1.00 54.54 C ATOM 1453 CG LYS A 622 6.341 -29.395 5.640 1.00 61.00 C ATOM 1454 CD LYS A 622 6.144 -30.758 6.299 1.00 31.31 C ATOM 1455 CE LYS A 622 7.002 -31.834 5.624 1.00 73.44 C ATOM 1456 NZ LYS A 622 6.676 -33.207 6.120 1.00 3.53 N ATOM 0 H LYS A 622 8.866 -28.620 3.422 1.00 23.00 H new ATOM 0 HA LYS A 622 7.254 -26.839 5.190 1.00 20.22 H new ATOM 0 HB2 LYS A 622 8.484 -29.561 5.742 1.00 54.54 H new ATOM 0 HB3 LYS A 622 7.790 -28.515 6.965 1.00 54.54 H new ATOM 0 HG2 LYS A 622 5.576 -28.708 6.001 1.00 61.00 H new ATOM 0 HG3 LYS A 622 6.199 -29.493 4.564 1.00 61.00 H new ATOM 0 HD2 LYS A 622 6.403 -30.694 7.356 1.00 31.31 H new ATOM 0 HD3 LYS A 622 5.093 -31.042 6.245 1.00 31.31 H new ATOM 0 HE2 LYS A 622 6.851 -31.793 4.545 1.00 73.44 H new ATOM 0 HE3 LYS A 622 8.056 -31.624 5.806 1.00 73.44 H new ATOM 0 HZ1 LYS A 622 7.367 -33.886 5.741 1.00 3.53 H new ATOM 0 HZ2 LYS A 622 6.713 -33.219 7.159 1.00 3.53 H new ATOM 0 HZ3 LYS A 622 5.721 -33.472 5.805 1.00 3.53 H new ATOM 1470 N TRP A 623 9.338 -25.856 6.121 1.00 15.12 N ATOM 1471 CA TRP A 623 10.550 -25.117 6.445 1.00 14.20 C ATOM 1472 C TRP A 623 11.168 -25.679 7.675 1.00 63.44 C ATOM 1473 O TRP A 623 10.689 -25.433 8.786 1.00 13.20 O ATOM 1474 CB TRP A 623 10.149 -23.686 6.718 1.00 12.25 C ATOM 1475 CG TRP A 623 11.185 -22.689 6.487 1.00 24.53 C ATOM 1476 CD1 TRP A 623 12.421 -22.840 5.951 1.00 63.23 C ATOM 1477 CD2 TRP A 623 11.083 -21.323 6.828 1.00 43.44 C ATOM 1478 NE1 TRP A 623 13.062 -21.650 5.837 1.00 53.01 N ATOM 1479 CE2 TRP A 623 12.267 -20.677 6.372 1.00 50.51 C ATOM 1480 CE3 TRP A 623 10.137 -20.583 7.544 1.00 32.33 C ATOM 1481 CZ2 TRP A 623 12.483 -19.301 6.553 1.00 54.30 C ATOM 1482 CZ3 TRP A 623 10.370 -19.265 7.802 1.00 1.34 C ATOM 1483 CH2 TRP A 623 11.527 -18.592 7.269 1.00 74.21 C ATOM 0 H TRP A 623 8.479 -25.419 6.455 1.00 15.12 H new ATOM 0 HA TRP A 623 11.263 -25.181 5.623 1.00 14.20 H new ATOM 0 HB2 TRP A 623 9.289 -23.443 6.094 1.00 12.25 H new ATOM 0 HB3 TRP A 623 9.821 -23.610 7.755 1.00 12.25 H new ATOM 0 HD1 TRP A 623 12.842 -23.789 5.652 1.00 63.23 H new ATOM 0 HE1 TRP A 623 13.982 -21.506 5.422 1.00 53.01 H new ATOM 0 HE3 TRP A 623 9.228 -21.052 7.890 1.00 32.33 H new ATOM 0 HZ2 TRP A 623 13.359 -18.813 6.151 1.00 54.30 H new ATOM 0 HZ3 TRP A 623 9.674 -18.715 8.418 1.00 1.34 H new ATOM 0 HH2 TRP A 623 11.652 -17.531 7.427 1.00 74.21 H new ATOM 1494 N MET A 624 12.279 -26.376 7.517 1.00 45.11 N ATOM 1495 CA MET A 624 13.000 -26.674 8.699 1.00 51.11 C ATOM 1496 C MET A 624 14.424 -26.193 8.673 1.00 1.21 C ATOM 1497 O MET A 624 15.413 -26.912 8.786 1.00 44.03 O ATOM 1498 CB MET A 624 13.225 -28.132 8.569 1.00 62.34 C ATOM 1499 CG MET A 624 12.037 -29.029 8.271 1.00 62.11 C ATOM 1500 SD MET A 624 10.953 -29.302 9.648 1.00 33.13 S ATOM 1501 CE MET A 624 10.134 -30.737 9.007 1.00 3.14 C ATOM 0 H MET A 624 12.667 -26.718 6.638 1.00 45.11 H new ATOM 0 HA MET A 624 12.464 -26.261 9.553 1.00 51.11 H new ATOM 0 HB2 MET A 624 13.960 -28.284 7.779 1.00 62.34 H new ATOM 0 HB3 MET A 624 13.678 -28.481 9.497 1.00 62.34 H new ATOM 0 HG2 MET A 624 11.463 -28.590 7.455 1.00 62.11 H new ATOM 0 HG3 MET A 624 12.405 -29.993 7.919 1.00 62.11 H new ATOM 0 HE1 MET A 624 9.393 -31.085 9.727 1.00 3.14 H new ATOM 0 HE2 MET A 624 9.638 -30.485 8.070 1.00 3.14 H new ATOM 0 HE3 MET A 624 10.866 -31.525 8.830 1.00 3.14 H new ATOM 1511 N GLU A 625 14.414 -24.964 9.029 1.00 52.24 N ATOM 1512 CA GLU A 625 15.408 -24.280 9.796 1.00 21.52 C ATOM 1513 C GLU A 625 14.516 -23.237 10.411 1.00 64.12 C ATOM 1514 O GLU A 625 14.768 -22.169 10.057 1.00 23.13 O ATOM 1515 CB GLU A 625 16.292 -23.656 8.696 1.00 3.21 C ATOM 1516 CG GLU A 625 17.311 -22.532 9.052 1.00 1.42 C ATOM 1517 CD GLU A 625 18.507 -22.440 8.115 1.00 25.30 C ATOM 1518 OE1 GLU A 625 18.874 -23.445 7.478 1.00 44.15 O ATOM 1519 OE2 GLU A 625 19.019 -21.315 7.942 1.00 24.11 O ATOM 0 H GLU A 625 13.643 -24.347 8.772 1.00 52.24 H new ATOM 0 HA GLU A 625 16.024 -24.814 10.520 1.00 21.52 H new ATOM 0 HB2 GLU A 625 16.854 -24.468 8.234 1.00 3.21 H new ATOM 0 HB3 GLU A 625 15.624 -23.257 7.933 1.00 3.21 H new ATOM 0 HG2 GLU A 625 16.791 -21.574 9.050 1.00 1.42 H new ATOM 0 HG3 GLU A 625 17.673 -22.696 10.067 1.00 1.42 H new ATOM 1526 N ARG A 626 13.777 -23.370 11.498 1.00 64.42 N ATOM 1527 CA ARG A 626 12.898 -22.239 12.016 1.00 23.21 C ATOM 1528 C ARG A 626 11.897 -22.877 12.960 1.00 33.02 C ATOM 1529 O ARG A 626 11.635 -22.358 14.029 1.00 15.01 O ATOM 1530 CB ARG A 626 12.005 -21.361 10.970 1.00 14.44 C ATOM 1531 CG ARG A 626 12.620 -20.630 9.789 1.00 25.22 C ATOM 1532 CD ARG A 626 13.510 -19.471 10.137 1.00 3.43 C ATOM 1533 NE ARG A 626 12.643 -18.283 10.193 1.00 0.42 N ATOM 1534 CZ ARG A 626 13.013 -17.047 10.480 1.00 4.21 C ATOM 1535 NH1 ARG A 626 14.243 -16.722 10.781 1.00 40.42 N ATOM 1536 NH2 ARG A 626 12.101 -16.123 10.447 1.00 2.11 N ATOM 0 H ARG A 626 13.740 -24.221 12.059 1.00 64.42 H new ATOM 0 HA ARG A 626 13.616 -21.527 12.424 1.00 23.21 H new ATOM 0 HB2 ARG A 626 11.250 -22.034 10.562 1.00 14.44 H new ATOM 0 HB3 ARG A 626 11.478 -20.612 11.561 1.00 14.44 H new ATOM 0 HG2 ARG A 626 13.197 -21.345 9.202 1.00 25.22 H new ATOM 0 HG3 ARG A 626 11.815 -20.268 9.149 1.00 25.22 H new ATOM 0 HD2 ARG A 626 14.005 -19.636 11.094 1.00 3.43 H new ATOM 0 HD3 ARG A 626 14.294 -19.345 9.390 1.00 3.43 H new ATOM 0 HE ARG A 626 11.654 -18.429 9.989 1.00 0.42 H new ATOM 0 HH11 ARG A 626 14.969 -17.438 10.802 1.00 40.42 H new ATOM 0 HH12 ARG A 626 14.477 -15.752 10.995 1.00 40.42 H new ATOM 0 HH21 ARG A 626 11.140 -16.364 10.206 1.00 2.11 H new ATOM 0 HH22 ARG A 626 12.346 -15.157 10.662 1.00 2.11 H new ATOM 1916 N GLY A 650 7.483 -16.949 6.317 1.00 31.20 N ATOM 1917 CA GLY A 650 8.401 -17.429 5.299 1.00 12.25 C ATOM 1918 C GLY A 650 8.037 -18.723 4.600 1.00 60.24 C ATOM 1919 O GLY A 650 8.904 -19.343 3.997 1.00 72.42 O ATOM 0 HA2 GLY A 650 8.503 -16.652 4.542 1.00 12.25 H new ATOM 0 HA3 GLY A 650 9.381 -17.557 5.759 1.00 12.25 H new ATOM 1923 N LYS A 651 6.805 -19.188 4.743 1.00 71.14 N ATOM 1924 CA LYS A 651 6.450 -20.541 4.317 1.00 4.32 C ATOM 1925 C LYS A 651 6.637 -20.757 2.812 1.00 54.40 C ATOM 1926 O LYS A 651 6.148 -19.965 2.004 1.00 32.02 O ATOM 1927 CB LYS A 651 5.013 -20.871 4.723 1.00 53.32 C ATOM 1928 CG LYS A 651 4.867 -21.160 6.220 1.00 73.32 C ATOM 1929 CD LYS A 651 3.453 -21.609 6.571 1.00 22.11 C ATOM 1930 CE LYS A 651 3.360 -22.023 8.041 1.00 61.31 C ATOM 1931 NZ LYS A 651 1.967 -22.450 8.405 1.00 4.34 N ATOM 0 H LYS A 651 6.035 -18.655 5.148 1.00 71.14 H new ATOM 0 HA LYS A 651 7.136 -21.219 4.825 1.00 4.32 H new ATOM 0 HB2 LYS A 651 4.364 -20.037 4.454 1.00 53.32 H new ATOM 0 HB3 LYS A 651 4.670 -21.737 4.156 1.00 53.32 H new ATOM 0 HG2 LYS A 651 5.578 -21.933 6.513 1.00 73.32 H new ATOM 0 HG3 LYS A 651 5.117 -20.265 6.790 1.00 73.32 H new ATOM 0 HD2 LYS A 651 2.750 -20.800 6.372 1.00 22.11 H new ATOM 0 HD3 LYS A 651 3.164 -22.446 5.935 1.00 22.11 H new ATOM 0 HE2 LYS A 651 4.055 -22.840 8.235 1.00 61.31 H new ATOM 0 HE3 LYS A 651 3.664 -21.190 8.675 1.00 61.31 H new ATOM 0 HZ1 LYS A 651 1.939 -22.724 9.408 1.00 4.34 H new ATOM 0 HZ2 LYS A 651 1.309 -21.661 8.243 1.00 4.34 H new ATOM 0 HZ3 LYS A 651 1.687 -23.261 7.817 1.00 4.34 H new ATOM 1945 N PRO A 652 7.356 -21.827 2.424 1.00 64.35 N ATOM 1946 CA PRO A 652 7.533 -22.113 0.998 1.00 0.01 C ATOM 1947 C PRO A 652 6.268 -22.658 0.373 1.00 44.15 C ATOM 1948 O PRO A 652 5.378 -23.143 1.066 1.00 20.03 O ATOM 1949 CB PRO A 652 8.609 -23.192 0.998 1.00 34.42 C ATOM 1950 CG PRO A 652 8.396 -23.897 2.274 1.00 72.23 C ATOM 1951 CD PRO A 652 8.039 -22.843 3.251 1.00 42.41 C ATOM 0 HA PRO A 652 7.789 -21.221 0.426 1.00 0.01 H new ATOM 0 HB2 PRO A 652 8.502 -23.864 0.146 1.00 34.42 H new ATOM 0 HB3 PRO A 652 9.608 -22.761 0.941 1.00 34.42 H new ATOM 0 HG2 PRO A 652 7.600 -24.637 2.186 1.00 72.23 H new ATOM 0 HG3 PRO A 652 9.295 -24.431 2.583 1.00 72.23 H new ATOM 0 HD2 PRO A 652 7.387 -23.227 4.036 1.00 42.41 H new ATOM 0 HD3 PRO A 652 8.922 -22.434 3.742 1.00 42.41 H new ATOM 1959 N VAL A 653 6.220 -22.611 -0.946 1.00 14.43 N ATOM 1960 CA VAL A 653 5.084 -23.146 -1.704 1.00 34.45 C ATOM 1961 C VAL A 653 5.563 -23.860 -2.967 1.00 64.33 C ATOM 1962 O VAL A 653 6.692 -23.658 -3.422 1.00 62.15 O ATOM 1963 CB VAL A 653 4.075 -22.016 -2.122 1.00 13.31 C ATOM 1964 CG1 VAL A 653 3.420 -21.381 -0.881 1.00 33.35 C ATOM 1965 CG2 VAL A 653 4.770 -20.923 -2.947 1.00 13.32 C ATOM 0 H VAL A 653 6.956 -22.207 -1.525 1.00 14.43 H new ATOM 0 HA VAL A 653 4.575 -23.850 -1.046 1.00 34.45 H new ATOM 0 HB VAL A 653 3.305 -22.482 -2.737 1.00 13.31 H new ATOM 0 HG11 VAL A 653 2.726 -20.602 -1.195 1.00 33.35 H new ATOM 0 HG12 VAL A 653 2.879 -22.146 -0.323 1.00 33.35 H new ATOM 0 HG13 VAL A 653 4.191 -20.946 -0.245 1.00 33.35 H new ATOM 0 HG21 VAL A 653 4.045 -20.157 -3.220 1.00 13.32 H new ATOM 0 HG22 VAL A 653 5.568 -20.473 -2.356 1.00 13.32 H new ATOM 0 HG23 VAL A 653 5.192 -21.362 -3.851 1.00 13.32 H new ATOM 1975 N LEU A 654 4.699 -24.687 -3.534 1.00 72.11 N ATOM 1976 CA LEU A 654 4.955 -25.333 -4.813 1.00 14.34 C ATOM 1977 C LEU A 654 4.859 -24.323 -5.957 1.00 14.32 C ATOM 1978 O LEU A 654 4.261 -23.260 -5.808 1.00 11.41 O ATOM 1979 CB LEU A 654 3.937 -26.459 -5.006 1.00 11.32 C ATOM 1980 CG LEU A 654 3.976 -27.507 -3.880 1.00 61.44 C ATOM 1981 CD1 LEU A 654 2.972 -28.609 -4.111 1.00 24.33 C ATOM 1982 CD2 LEU A 654 5.375 -28.081 -3.759 1.00 22.33 C ATOM 0 H LEU A 654 3.799 -24.930 -3.120 1.00 72.11 H new ATOM 0 HA LEU A 654 5.964 -25.744 -4.818 1.00 14.34 H new ATOM 0 HB2 LEU A 654 2.936 -26.031 -5.061 1.00 11.32 H new ATOM 0 HB3 LEU A 654 4.126 -26.952 -5.960 1.00 11.32 H new ATOM 0 HG LEU A 654 3.708 -27.011 -2.947 1.00 61.44 H new ATOM 0 HD11 LEU A 654 3.029 -29.330 -3.296 1.00 24.33 H new ATOM 0 HD12 LEU A 654 1.969 -28.185 -4.151 1.00 24.33 H new ATOM 0 HD13 LEU A 654 3.192 -29.110 -5.054 1.00 24.33 H new ATOM 0 HD21 LEU A 654 5.396 -28.822 -2.960 1.00 22.33 H new ATOM 0 HD22 LEU A 654 5.657 -28.553 -4.700 1.00 22.33 H new ATOM 0 HD23 LEU A 654 6.078 -27.280 -3.530 1.00 22.33 H new ATOM 1994 N GLY A 655 5.505 -24.648 -7.065 1.00 25.40 N ATOM 1995 CA GLY A 655 5.642 -23.728 -8.184 1.00 54.14 C ATOM 1996 C GLY A 655 4.821 -23.977 -9.427 1.00 21.30 C ATOM 1997 O GLY A 655 3.702 -24.465 -9.386 1.00 72.13 O ATOM 0 H GLY A 655 5.948 -25.554 -7.215 1.00 25.40 H new ATOM 0 HA2 GLY A 655 5.401 -22.728 -7.822 1.00 54.14 H new ATOM 0 HA3 GLY A 655 6.692 -23.717 -8.477 1.00 54.14 H new ATOM 2001 N GLU A 656 5.418 -23.595 -10.546 1.00 61.11 N ATOM 2002 CA GLU A 656 4.781 -23.643 -11.857 1.00 71.24 C ATOM 2003 C GLU A 656 4.586 -25.080 -12.332 1.00 72.11 C ATOM 2004 O GLU A 656 3.538 -25.427 -12.863 1.00 64.11 O ATOM 2005 CB GLU A 656 5.647 -22.882 -12.874 1.00 20.12 C ATOM 2006 CG GLU A 656 6.018 -21.443 -12.448 1.00 1.14 C ATOM 2007 CD GLU A 656 7.178 -21.378 -11.433 1.00 34.25 C ATOM 2008 OE1 GLU A 656 7.863 -22.411 -11.221 1.00 5.23 O ATOM 2009 OE2 GLU A 656 7.355 -20.323 -10.795 1.00 40.43 O ATOM 0 H GLU A 656 6.373 -23.237 -10.571 1.00 61.11 H new ATOM 0 HA GLU A 656 3.799 -23.177 -11.774 1.00 71.24 H new ATOM 0 HB2 GLU A 656 6.565 -23.445 -13.045 1.00 20.12 H new ATOM 0 HB3 GLU A 656 5.117 -22.841 -13.825 1.00 20.12 H new ATOM 0 HG2 GLU A 656 6.289 -20.869 -13.334 1.00 1.14 H new ATOM 0 HG3 GLU A 656 5.140 -20.964 -12.015 1.00 1.14 H new ATOM 2016 N HIS A 657 5.588 -25.922 -12.107 1.00 1.35 N ATOM 2017 CA HIS A 657 5.467 -27.356 -12.399 1.00 42.01 C ATOM 2018 C HIS A 657 6.161 -28.232 -11.356 1.00 3.12 C ATOM 2019 O HIS A 657 7.235 -28.773 -11.596 1.00 52.22 O ATOM 2020 CB HIS A 657 5.918 -27.744 -13.825 1.00 53.41 C ATOM 2021 CG HIS A 657 7.218 -27.152 -14.276 1.00 42.44 C ATOM 2022 ND1 HIS A 657 7.716 -25.886 -14.245 1.00 33.43 N flip ATOM 2023 CD2 HIS A 657 8.202 -27.901 -14.929 1.00 32.45 C flip ATOM 2024 CE1 HIS A 657 8.931 -25.886 -14.854 1.00 34.03 C flip ATOM 2025 NE2 HIS A 657 9.196 -27.094 -15.270 1.00 54.03 N flip ATOM 0 H HIS A 657 6.492 -25.644 -11.725 1.00 1.35 H new ATOM 0 HA HIS A 657 4.396 -27.553 -12.345 1.00 42.01 H new ATOM 0 HB2 HIS A 657 5.995 -28.830 -13.879 1.00 53.41 H new ATOM 0 HB3 HIS A 657 5.140 -27.444 -14.527 1.00 53.41 H new ATOM 0 HD2 HIS A 657 8.159 -28.962 -15.123 1.00 32.45 H new ATOM 0 HE1 HIS A 657 9.573 -25.026 -14.974 1.00 34.03 H new ATOM 0 HE2 HIS A 657 10.036 -27.373 -15.777 1.00 54.03 H new ATOM 2033 N PRO A 658 5.530 -28.417 -10.182 1.00 25.01 N ATOM 2034 CA PRO A 658 6.022 -29.294 -9.109 1.00 55.53 C ATOM 2035 C PRO A 658 5.759 -30.780 -9.385 1.00 61.45 C ATOM 2036 O PRO A 658 5.456 -31.564 -8.483 1.00 71.54 O ATOM 2037 CB PRO A 658 5.212 -28.813 -7.912 1.00 52.22 C ATOM 2038 CG PRO A 658 3.915 -28.449 -8.497 1.00 14.24 C ATOM 2039 CD PRO A 658 4.266 -27.768 -9.780 1.00 62.45 C ATOM 0 HA PRO A 658 7.103 -29.235 -8.980 1.00 55.53 H new ATOM 0 HB2 PRO A 658 5.107 -29.594 -7.159 1.00 52.22 H new ATOM 0 HB3 PRO A 658 5.685 -27.961 -7.424 1.00 52.22 H new ATOM 0 HG2 PRO A 658 3.296 -29.329 -8.670 1.00 14.24 H new ATOM 0 HG3 PRO A 658 3.352 -27.789 -7.837 1.00 14.24 H new ATOM 0 HD2 PRO A 658 3.489 -27.904 -10.532 1.00 62.45 H new ATOM 0 HD3 PRO A 658 4.392 -26.694 -9.643 1.00 62.45 H new ATOM 2047 N LYS A 659 5.815 -31.144 -10.653 1.00 73.52 N ATOM 2048 CA LYS A 659 5.570 -32.500 -11.097 1.00 12.11 C ATOM 2049 C LYS A 659 6.245 -32.685 -12.440 1.00 41.41 C ATOM 2050 O LYS A 659 6.437 -31.713 -13.168 1.00 23.41 O ATOM 2051 CB LYS A 659 4.061 -32.689 -11.260 1.00 71.42 C ATOM 2052 CG LYS A 659 3.625 -34.125 -11.460 1.00 43.12 C ATOM 2053 CD LYS A 659 2.552 -34.484 -10.473 1.00 51.10 C ATOM 2054 CE LYS A 659 1.233 -33.916 -10.888 1.00 62.41 C ATOM 2055 NZ LYS A 659 0.127 -34.308 -9.952 1.00 24.35 N ATOM 0 H LYS A 659 6.035 -30.497 -11.411 1.00 73.52 H new ATOM 0 HA LYS A 659 5.959 -33.222 -10.379 1.00 12.11 H new ATOM 0 HB2 LYS A 659 3.560 -32.290 -10.378 1.00 71.42 H new ATOM 0 HB3 LYS A 659 3.724 -32.098 -12.112 1.00 71.42 H new ATOM 0 HG2 LYS A 659 3.255 -34.262 -12.476 1.00 43.12 H new ATOM 0 HG3 LYS A 659 4.479 -34.792 -11.339 1.00 43.12 H new ATOM 0 HD2 LYS A 659 2.476 -35.568 -10.391 1.00 51.10 H new ATOM 0 HD3 LYS A 659 2.820 -34.108 -9.486 1.00 51.10 H new ATOM 0 HE2 LYS A 659 1.304 -32.829 -10.929 1.00 62.41 H new ATOM 0 HE3 LYS A 659 0.993 -34.258 -11.895 1.00 62.41 H new ATOM 0 HZ1 LYS A 659 -0.768 -33.892 -10.279 1.00 24.35 H new ATOM 0 HZ2 LYS A 659 0.040 -35.344 -9.932 1.00 24.35 H new ATOM 0 HZ3 LYS A 659 0.342 -33.960 -8.996 1.00 24.35 H new ATOM 2069 N LEU A 660 6.546 -33.926 -12.768 1.00 73.25 N ATOM 2070 CA LEU A 660 7.077 -34.304 -14.077 1.00 43.40 C ATOM 2071 C LEU A 660 6.293 -35.518 -14.516 1.00 63.21 C ATOM 2072 O LEU A 660 6.200 -36.475 -13.755 1.00 12.50 O ATOM 2073 CB LEU A 660 8.565 -34.673 -13.977 1.00 51.22 C ATOM 2074 CG LEU A 660 9.214 -35.301 -15.221 1.00 22.03 C ATOM 2075 CD1 LEU A 660 9.028 -34.397 -16.404 1.00 0.11 C ATOM 2076 CD2 LEU A 660 10.704 -35.562 -14.971 1.00 2.04 C ATOM 0 H LEU A 660 6.430 -34.714 -12.131 1.00 73.25 H new ATOM 0 HA LEU A 660 6.986 -33.477 -14.782 1.00 43.40 H new ATOM 0 HB2 LEU A 660 9.121 -33.771 -13.724 1.00 51.22 H new ATOM 0 HB3 LEU A 660 8.687 -35.366 -13.145 1.00 51.22 H new ATOM 0 HG LEU A 660 8.731 -36.255 -15.430 1.00 22.03 H new ATOM 0 HD11 LEU A 660 9.490 -34.848 -17.282 1.00 0.11 H new ATOM 0 HD12 LEU A 660 7.963 -34.253 -16.588 1.00 0.11 H new ATOM 0 HD13 LEU A 660 9.495 -33.433 -16.202 1.00 0.11 H new ATOM 0 HD21 LEU A 660 11.150 -36.007 -15.861 1.00 2.04 H new ATOM 0 HD22 LEU A 660 11.205 -34.621 -14.746 1.00 2.04 H new ATOM 0 HD23 LEU A 660 10.818 -36.244 -14.129 1.00 2.04 H new ATOM 2088 N GLU A 661 5.731 -35.478 -15.711 1.00 54.14 N ATOM 2089 CA GLU A 661 5.036 -36.624 -16.278 1.00 2.32 C ATOM 2090 C GLU A 661 6.045 -37.487 -17.011 1.00 40.02 C ATOM 2091 O GLU A 661 6.889 -36.975 -17.726 1.00 12.23 O ATOM 2092 CB GLU A 661 3.973 -36.158 -17.266 1.00 12.44 C ATOM 2093 CG GLU A 661 3.087 -37.295 -17.734 1.00 55.01 C ATOM 2094 CD GLU A 661 1.658 -36.840 -17.998 1.00 64.12 C ATOM 2095 OE1 GLU A 661 0.989 -36.406 -17.029 1.00 24.54 O ATOM 2096 OE2 GLU A 661 1.196 -36.929 -19.152 1.00 14.01 O ATOM 0 H GLU A 661 5.742 -34.656 -16.314 1.00 54.14 H new ATOM 0 HA GLU A 661 4.556 -37.189 -15.479 1.00 2.32 H new ATOM 0 HB2 GLU A 661 3.358 -35.389 -16.799 1.00 12.44 H new ATOM 0 HB3 GLU A 661 4.457 -35.699 -18.128 1.00 12.44 H new ATOM 0 HG2 GLU A 661 3.503 -37.726 -18.644 1.00 55.01 H new ATOM 0 HG3 GLU A 661 3.082 -38.083 -16.981 1.00 55.01 H new ATOM 2103 N VAL A 662 5.961 -38.789 -16.823 1.00 71.22 N ATOM 2104 CA VAL A 662 6.853 -39.749 -17.455 1.00 32.42 C ATOM 2105 C VAL A 662 6.029 -40.637 -18.339 1.00 74.54 C ATOM 2106 O VAL A 662 4.894 -40.982 -18.016 1.00 31.20 O ATOM 2107 CB VAL A 662 7.657 -40.580 -16.408 1.00 64.43 C ATOM 2108 CG1 VAL A 662 7.523 -40.020 -14.994 1.00 21.41 C ATOM 2109 CG2 VAL A 662 7.466 -42.028 -16.556 1.00 42.12 C ATOM 0 H VAL A 662 5.261 -39.219 -16.218 1.00 71.22 H new ATOM 0 HA VAL A 662 7.596 -39.215 -18.048 1.00 32.42 H new ATOM 0 HB VAL A 662 8.717 -40.455 -16.631 1.00 64.43 H new ATOM 0 HG11 VAL A 662 8.101 -40.634 -14.303 1.00 21.41 H new ATOM 0 HG12 VAL A 662 7.898 -38.997 -14.971 1.00 21.41 H new ATOM 0 HG13 VAL A 662 6.474 -40.029 -14.697 1.00 21.41 H new ATOM 0 HG21 VAL A 662 8.051 -42.551 -15.800 1.00 42.12 H new ATOM 0 HG22 VAL A 662 6.411 -42.270 -16.431 1.00 42.12 H new ATOM 0 HG23 VAL A 662 7.795 -42.339 -17.548 1.00 42.12 H new ATOM 2119 N ILE A 663 6.638 -41.014 -19.445 1.00 15.52 N ATOM 2120 CA ILE A 663 6.083 -41.957 -20.384 1.00 4.15 C ATOM 2121 C ILE A 663 7.121 -43.056 -20.465 1.00 42.21 C ATOM 2122 O ILE A 663 8.308 -42.757 -20.629 1.00 3.20 O ATOM 2123 CB ILE A 663 5.918 -41.274 -21.753 1.00 63.12 C ATOM 2124 CG1 ILE A 663 4.858 -40.161 -21.645 1.00 74.15 C ATOM 2125 CG2 ILE A 663 5.596 -42.294 -22.833 1.00 34.22 C ATOM 2126 CD1 ILE A 663 3.379 -40.660 -21.720 1.00 65.11 C ATOM 0 H ILE A 663 7.555 -40.662 -19.719 1.00 15.52 H new ATOM 0 HA ILE A 663 5.104 -42.335 -20.087 1.00 4.15 H new ATOM 0 HB ILE A 663 6.858 -40.808 -22.049 1.00 63.12 H new ATOM 0 HG12 ILE A 663 5.001 -39.631 -20.703 1.00 74.15 H new ATOM 0 HG13 ILE A 663 5.025 -39.440 -22.445 1.00 74.15 H new ATOM 0 HG21 ILE A 663 5.484 -41.786 -23.791 1.00 34.22 H new ATOM 0 HG22 ILE A 663 6.405 -43.021 -22.900 1.00 34.22 H new ATOM 0 HG23 ILE A 663 4.667 -42.807 -22.584 1.00 34.22 H new ATOM 0 HD11 ILE A 663 2.703 -39.809 -21.636 1.00 65.11 H new ATOM 0 HD12 ILE A 663 3.212 -41.163 -22.673 1.00 65.11 H new ATOM 0 HD13 ILE A 663 3.188 -41.357 -20.904 1.00 65.11 H new ATOM 2138 N ILE A 664 6.719 -44.308 -20.317 1.00 0.31 N ATOM 2139 CA ILE A 664 7.666 -45.404 -20.455 1.00 64.33 C ATOM 2140 C ILE A 664 7.720 -45.821 -21.927 1.00 72.25 C ATOM 2141 O ILE A 664 6.714 -46.163 -22.548 1.00 3.13 O ATOM 2142 CB ILE A 664 7.372 -46.559 -19.470 1.00 60.43 C ATOM 2143 CG1 ILE A 664 7.446 -45.970 -18.040 1.00 23.54 C ATOM 2144 CG2 ILE A 664 8.408 -47.722 -19.666 1.00 15.04 C ATOM 2145 CD1 ILE A 664 7.464 -46.973 -16.916 1.00 4.24 C ATOM 0 H ILE A 664 5.761 -44.588 -20.105 1.00 0.31 H new ATOM 0 HA ILE A 664 8.665 -45.074 -20.170 1.00 64.33 H new ATOM 0 HB ILE A 664 6.384 -46.984 -19.648 1.00 60.43 H new ATOM 0 HG12 ILE A 664 8.343 -45.355 -17.967 1.00 23.54 H new ATOM 0 HG13 ILE A 664 6.593 -45.307 -17.896 1.00 23.54 H new ATOM 0 HG21 ILE A 664 8.188 -48.527 -18.965 1.00 15.04 H new ATOM 0 HG22 ILE A 664 8.342 -48.100 -20.686 1.00 15.04 H new ATOM 0 HG23 ILE A 664 9.415 -47.347 -19.483 1.00 15.04 H new ATOM 0 HD11 ILE A 664 7.517 -46.449 -15.962 1.00 4.24 H new ATOM 0 HD12 ILE A 664 6.555 -47.574 -16.950 1.00 4.24 H new ATOM 0 HD13 ILE A 664 8.333 -47.623 -17.022 1.00 4.24 H new