USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 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 Single : A 533 THR OG1 : rot -160:sc= 0.448 USER MOD Single : A 536 CYS SG : rot 180:sc= -0.0125 USER MOD Single : A 538 THR OG1 : rot 180:sc=-0.00354 USER MOD Single : A 540 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.23) USER MOD Single : A 542 SER OG : rot 38:sc= 1.27 USER MOD Single : A 544 SER OG : rot 53:sc= 0.761 USER MOD Single : A 548 MET CE :methyl 141:sc= -0.934 (180deg=-4.31!) USER MOD Single : A 551 LYS NZ :NH3+ 172:sc= 0.459 (180deg=0.272) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.00495 USER MOD Single : A 556 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 561 THR OG1 : rot 101:sc= 1.3 USER MOD Single : A 568 THR OG1 : rot 65:sc= 0.254 USER MOD Single : A 572 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 574 LYS NZ :NH3+ 136:sc= 0.913 (180deg=-0.781) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 155:sc= 0.398 (180deg=-0.203) USER MOD Single : A 591 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 594 THR OG1 : rot -150:sc= 0.00147 USER MOD Single : A 596 LYS NZ :NH3+ -117:sc= 0.25 (180deg=0.184) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -166:sc= 0.204 (180deg=-0.0897) USER MOD Single : A 613 ASN : amide:sc= -1.34 K(o=-1.3,f=-6!) USER MOD Single : A 622 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.12) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ -170:sc= 1.11 (180deg=1.05) USER MOD Single : A 657 HIS : no HE2:sc= 0.871 K(o=0.87,f=-3!) USER MOD Single : A 659 LYS NZ :NH3+ 156:sc=-0.00341 (180deg=-0.282) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.761 -18.812 2.545 1.00 42.33 N ATOM 19 CA ALA A 529 11.393 -19.914 1.859 1.00 52.41 C ATOM 20 C ALA A 529 10.906 -19.848 0.401 1.00 25.33 C ATOM 21 O ALA A 529 9.896 -19.204 0.115 1.00 73.14 O ATOM 22 CB ALA A 529 10.974 -21.179 2.506 1.00 61.02 C ATOM 0 HA ALA A 529 12.481 -19.864 1.896 1.00 52.41 H new ATOM 0 HB1 ALA A 529 11.444 -22.021 1.998 1.00 61.02 H new ATOM 0 HB2 ALA A 529 11.279 -21.171 3.552 1.00 61.02 H new ATOM 0 HB3 ALA A 529 9.890 -21.278 2.445 1.00 61.02 H new ATOM 28 N GLY A 530 11.632 -20.472 -0.518 1.00 2.24 N ATOM 29 CA GLY A 530 11.312 -20.336 -1.932 1.00 64.11 C ATOM 30 C GLY A 530 10.319 -21.312 -2.540 1.00 71.44 C ATOM 31 O GLY A 530 9.895 -22.277 -1.920 1.00 22.31 O ATOM 0 H GLY A 530 12.434 -21.068 -0.314 1.00 2.24 H new ATOM 0 HA2 GLY A 530 10.928 -19.328 -2.091 1.00 64.11 H new ATOM 0 HA3 GLY A 530 12.243 -20.415 -2.493 1.00 64.11 H new ATOM 35 N ILE A 531 10.006 -21.057 -3.804 1.00 62.31 N ATOM 36 CA ILE A 531 9.205 -21.953 -4.648 1.00 21.03 C ATOM 37 C ILE A 531 10.090 -23.147 -4.993 1.00 35.13 C ATOM 38 O ILE A 531 11.279 -22.961 -5.261 1.00 33.02 O ATOM 39 CB ILE A 531 8.786 -21.218 -5.992 1.00 45.02 C ATOM 40 CG1 ILE A 531 7.426 -20.521 -5.825 1.00 11.52 C ATOM 41 CG2 ILE A 531 8.714 -22.178 -7.193 1.00 33.31 C ATOM 42 CD1 ILE A 531 7.472 -19.200 -5.028 1.00 64.35 C ATOM 0 H ILE A 531 10.304 -20.209 -4.286 1.00 62.31 H new ATOM 0 HA ILE A 531 8.299 -22.258 -4.125 1.00 21.03 H new ATOM 0 HB ILE A 531 9.563 -20.481 -6.195 1.00 45.02 H new ATOM 0 HG12 ILE A 531 7.013 -20.319 -6.813 1.00 11.52 H new ATOM 0 HG13 ILE A 531 6.740 -21.206 -5.327 1.00 11.52 H new ATOM 0 HG21 ILE A 531 8.423 -21.623 -8.085 1.00 33.31 H new ATOM 0 HG22 ILE A 531 9.690 -22.635 -7.352 1.00 33.31 H new ATOM 0 HG23 ILE A 531 7.977 -22.956 -6.993 1.00 33.31 H new ATOM 0 HD11 ILE A 531 6.468 -18.780 -4.961 1.00 64.35 H new ATOM 0 HD12 ILE A 531 7.852 -19.393 -4.025 1.00 64.35 H new ATOM 0 HD13 ILE A 531 8.128 -18.492 -5.534 1.00 64.35 H new ATOM 54 N PHE A 532 9.506 -24.341 -5.036 1.00 73.33 N ATOM 55 CA PHE A 532 10.203 -25.551 -5.492 1.00 42.35 C ATOM 56 C PHE A 532 9.443 -26.134 -6.670 1.00 74.14 C ATOM 57 O PHE A 532 8.211 -26.181 -6.657 1.00 31.32 O ATOM 58 CB PHE A 532 10.270 -26.578 -4.378 1.00 12.01 C ATOM 59 CG PHE A 532 11.153 -26.158 -3.241 1.00 62.53 C ATOM 60 CD1 PHE A 532 10.667 -25.319 -2.226 1.00 55.03 C ATOM 61 CD2 PHE A 532 12.497 -26.571 -3.199 1.00 45.02 C ATOM 62 CE1 PHE A 532 11.513 -24.883 -1.186 1.00 0.34 C ATOM 63 CE2 PHE A 532 13.350 -26.144 -2.156 1.00 44.13 C ATOM 64 CZ PHE A 532 12.859 -25.299 -1.150 1.00 62.35 C ATOM 0 H PHE A 532 8.538 -24.502 -4.757 1.00 73.33 H new ATOM 0 HA PHE A 532 11.220 -25.292 -5.786 1.00 42.35 H new ATOM 0 HB2 PHE A 532 9.264 -26.761 -4.000 1.00 12.01 H new ATOM 0 HB3 PHE A 532 10.635 -27.522 -4.784 1.00 12.01 H new ATOM 0 HD1 PHE A 532 9.634 -25.004 -2.242 1.00 55.03 H new ATOM 0 HD2 PHE A 532 12.881 -27.221 -3.971 1.00 45.02 H new ATOM 0 HE1 PHE A 532 11.129 -24.230 -0.416 1.00 0.34 H new ATOM 0 HE2 PHE A 532 14.380 -26.468 -2.134 1.00 44.13 H new ATOM 0 HZ PHE A 532 13.508 -24.969 -0.353 1.00 62.35 H new ATOM 74 N THR A 533 10.165 -26.528 -7.705 1.00 35.22 N ATOM 75 CA THR A 533 9.546 -26.959 -8.953 1.00 74.42 C ATOM 76 C THR A 533 10.521 -27.880 -9.694 1.00 12.21 C ATOM 77 O THR A 533 11.699 -27.924 -9.355 1.00 34.20 O ATOM 78 CB THR A 533 9.192 -25.697 -9.801 1.00 42.31 C ATOM 79 OG1 THR A 533 8.445 -26.066 -10.960 1.00 52.01 O ATOM 80 CG2 THR A 533 10.418 -24.954 -10.236 1.00 63.54 C ATOM 0 H THR A 533 11.185 -26.559 -7.708 1.00 35.22 H new ATOM 0 HA THR A 533 8.627 -27.513 -8.765 1.00 74.42 H new ATOM 0 HB THR A 533 8.596 -25.045 -9.162 1.00 42.31 H new ATOM 0 HG1 THR A 533 8.501 -25.350 -11.627 1.00 52.01 H new ATOM 0 HG21 THR A 533 10.127 -24.083 -10.823 1.00 63.54 H new ATOM 0 HG22 THR A 533 10.977 -24.629 -9.359 1.00 63.54 H new ATOM 0 HG23 THR A 533 11.044 -25.608 -10.843 1.00 63.54 H new ATOM 88 N PHE A 534 10.038 -28.619 -10.679 1.00 10.42 N ATOM 89 CA PHE A 534 10.880 -29.510 -11.472 1.00 1.50 C ATOM 90 C PHE A 534 11.273 -28.819 -12.764 1.00 4.31 C ATOM 91 O PHE A 534 10.767 -27.745 -13.090 1.00 1.05 O ATOM 92 CB PHE A 534 10.136 -30.801 -11.830 1.00 44.41 C ATOM 93 CG PHE A 534 9.855 -31.712 -10.663 1.00 51.30 C ATOM 94 CD1 PHE A 534 10.347 -31.481 -9.362 1.00 51.35 C ATOM 95 CD2 PHE A 534 9.084 -32.842 -10.896 1.00 21.14 C ATOM 96 CE1 PHE A 534 10.030 -32.374 -8.312 1.00 70.34 C ATOM 97 CE2 PHE A 534 8.766 -33.743 -9.871 1.00 44.04 C ATOM 98 CZ PHE A 534 9.222 -33.511 -8.575 1.00 34.02 C ATOM 0 H PHE A 534 9.056 -28.621 -10.954 1.00 10.42 H new ATOM 0 HA PHE A 534 11.760 -29.755 -10.878 1.00 1.50 H new ATOM 0 HB2 PHE A 534 9.190 -30.539 -12.305 1.00 44.41 H new ATOM 0 HB3 PHE A 534 10.722 -31.349 -12.568 1.00 44.41 H new ATOM 0 HD1 PHE A 534 10.968 -30.619 -9.167 1.00 51.35 H new ATOM 0 HD2 PHE A 534 8.719 -33.032 -11.895 1.00 21.14 H new ATOM 0 HE1 PHE A 534 10.401 -32.192 -7.314 1.00 70.34 H new ATOM 0 HE2 PHE A 534 8.168 -34.616 -10.085 1.00 44.04 H new ATOM 0 HZ PHE A 534 8.963 -34.191 -7.777 1.00 34.02 H new ATOM 108 N GLU A 535 12.178 -29.464 -13.481 1.00 61.44 N ATOM 109 CA GLU A 535 12.686 -28.982 -14.767 1.00 73.44 C ATOM 110 C GLU A 535 11.626 -28.929 -15.857 1.00 43.44 C ATOM 111 O GLU A 535 11.503 -27.938 -16.571 1.00 35.20 O ATOM 112 CB GLU A 535 13.764 -29.955 -15.240 1.00 53.12 C ATOM 113 CG GLU A 535 15.086 -29.844 -14.513 1.00 11.43 C ATOM 114 CD GLU A 535 16.057 -30.920 -14.960 1.00 11.10 C ATOM 115 OE1 GLU A 535 15.757 -32.118 -14.743 1.00 23.21 O ATOM 116 OE2 GLU A 535 17.146 -30.589 -15.477 1.00 13.31 O ATOM 0 H GLU A 535 12.590 -30.350 -13.187 1.00 61.44 H new ATOM 0 HA GLU A 535 13.054 -27.969 -14.606 1.00 73.44 H new ATOM 0 HB2 GLU A 535 13.389 -30.972 -15.128 1.00 53.12 H new ATOM 0 HB3 GLU A 535 13.937 -29.794 -16.304 1.00 53.12 H new ATOM 0 HG2 GLU A 535 15.521 -28.861 -14.695 1.00 11.43 H new ATOM 0 HG3 GLU A 535 14.920 -29.925 -13.439 1.00 11.43 H new ATOM 123 N CYS A 536 10.915 -30.034 -16.021 1.00 22.42 N ATOM 124 CA CYS A 536 9.950 -30.192 -17.098 1.00 71.24 C ATOM 125 C CYS A 536 8.705 -30.834 -16.518 1.00 10.23 C ATOM 126 O CYS A 536 8.672 -31.157 -15.332 1.00 45.13 O ATOM 127 CB CYS A 536 10.527 -31.107 -18.192 1.00 60.44 C ATOM 128 SG CYS A 536 12.084 -30.515 -18.905 1.00 73.22 S ATOM 0 H CYS A 536 10.991 -30.847 -15.410 1.00 22.42 H new ATOM 0 HA CYS A 536 9.718 -29.222 -17.537 1.00 71.24 H new ATOM 0 HB2 CYS A 536 10.686 -32.101 -17.773 1.00 60.44 H new ATOM 0 HB3 CYS A 536 9.791 -31.211 -18.989 1.00 60.44 H new ATOM 0 HG CYS A 536 12.491 -31.351 -19.813 1.00 73.22 H new ATOM 134 N ASP A 537 7.717 -31.067 -17.367 1.00 24.51 N ATOM 135 CA ASP A 537 6.476 -31.725 -16.971 1.00 32.51 C ATOM 136 C ASP A 537 6.114 -32.913 -17.879 1.00 74.20 C ATOM 137 O ASP A 537 5.067 -33.513 -17.709 1.00 40.40 O ATOM 138 CB ASP A 537 5.332 -30.703 -16.929 1.00 4.30 C ATOM 139 CG ASP A 537 5.393 -29.708 -18.074 1.00 44.41 C ATOM 140 OD1 ASP A 537 5.797 -30.070 -19.203 1.00 52.33 O ATOM 141 OD2 ASP A 537 5.132 -28.513 -17.797 1.00 65.05 O ATOM 0 H ASP A 537 7.750 -30.806 -18.352 1.00 24.51 H new ATOM 0 HA ASP A 537 6.632 -32.137 -15.974 1.00 32.51 H new ATOM 0 HB2 ASP A 537 4.378 -31.230 -16.961 1.00 4.30 H new ATOM 0 HB3 ASP A 537 5.366 -30.164 -15.982 1.00 4.30 H new ATOM 146 N THR A 538 7.004 -33.300 -18.790 1.00 13.24 N ATOM 147 CA THR A 538 6.820 -34.495 -19.625 1.00 62.35 C ATOM 148 C THR A 538 8.218 -35.061 -19.947 1.00 43.04 C ATOM 149 O THR A 538 9.114 -34.306 -20.336 1.00 34.34 O ATOM 150 CB THR A 538 6.125 -34.151 -20.958 1.00 44.41 C ATOM 151 OG1 THR A 538 4.958 -33.368 -20.700 1.00 42.31 O ATOM 152 CG2 THR A 538 5.699 -35.408 -21.704 1.00 11.20 C ATOM 0 H THR A 538 7.873 -32.798 -18.974 1.00 13.24 H new ATOM 0 HA THR A 538 6.199 -35.210 -19.085 1.00 62.35 H new ATOM 0 HB THR A 538 6.838 -33.599 -21.570 1.00 44.41 H new ATOM 0 HG1 THR A 538 4.518 -33.148 -21.547 1.00 42.31 H new ATOM 0 HG21 THR A 538 5.213 -35.129 -22.639 1.00 11.20 H new ATOM 0 HG22 THR A 538 6.576 -36.018 -21.919 1.00 11.20 H new ATOM 0 HG23 THR A 538 5.003 -35.978 -21.089 1.00 11.20 H new ATOM 160 N ILE A 539 8.401 -36.361 -19.766 1.00 3.42 N ATOM 161 CA ILE A 539 9.672 -37.062 -20.011 1.00 75.23 C ATOM 162 C ILE A 539 9.359 -38.487 -20.509 1.00 30.23 C ATOM 163 O ILE A 539 8.270 -38.997 -20.279 1.00 10.33 O ATOM 164 CB ILE A 539 10.535 -37.101 -18.676 1.00 64.40 C ATOM 165 CG1 ILE A 539 11.958 -37.639 -18.922 1.00 3.53 C ATOM 166 CG2 ILE A 539 9.807 -37.891 -17.536 1.00 12.22 C ATOM 167 CD1 ILE A 539 12.213 -39.051 -18.370 1.00 74.34 C ATOM 0 H ILE A 539 7.659 -36.979 -19.438 1.00 3.42 H new ATOM 0 HA ILE A 539 10.253 -36.537 -20.769 1.00 75.23 H new ATOM 0 HB ILE A 539 10.640 -36.070 -18.338 1.00 64.40 H new ATOM 0 HG12 ILE A 539 12.150 -37.642 -19.995 1.00 3.53 H new ATOM 0 HG13 ILE A 539 12.675 -36.952 -18.472 1.00 3.53 H new ATOM 0 HG21 ILE A 539 10.429 -37.895 -16.641 1.00 12.22 H new ATOM 0 HG22 ILE A 539 8.854 -37.412 -17.313 1.00 12.22 H new ATOM 0 HG23 ILE A 539 9.631 -38.917 -17.859 1.00 12.22 H new ATOM 0 HD11 ILE A 539 13.239 -39.347 -18.589 1.00 74.34 H new ATOM 0 HD12 ILE A 539 12.057 -39.054 -17.291 1.00 74.34 H new ATOM 0 HD13 ILE A 539 11.524 -39.754 -18.838 1.00 74.34 H new ATOM 179 N HIS A 540 10.317 -39.128 -21.164 1.00 4.00 N ATOM 180 CA HIS A 540 10.217 -40.544 -21.522 1.00 12.34 C ATOM 181 C HIS A 540 11.379 -41.311 -20.913 1.00 42.12 C ATOM 182 O HIS A 540 12.534 -40.942 -21.129 1.00 42.41 O ATOM 183 CB HIS A 540 10.293 -40.732 -23.033 1.00 71.13 C ATOM 184 CG HIS A 540 8.959 -40.749 -23.701 1.00 65.21 C ATOM 185 ND1 HIS A 540 8.523 -41.803 -24.504 1.00 43.25 N ATOM 186 CD2 HIS A 540 7.936 -39.861 -23.709 1.00 33.31 C ATOM 187 CE1 HIS A 540 7.310 -41.521 -24.957 1.00 21.32 C ATOM 188 NE2 HIS A 540 6.938 -40.359 -24.491 1.00 63.35 N ATOM 0 H HIS A 540 11.186 -38.686 -21.464 1.00 4.00 H new ATOM 0 HA HIS A 540 9.261 -40.911 -21.148 1.00 12.34 H new ATOM 0 HB2 HIS A 540 10.894 -39.929 -23.461 1.00 71.13 H new ATOM 0 HB3 HIS A 540 10.810 -41.667 -23.249 1.00 71.13 H new ATOM 0 HD2 HIS A 540 7.915 -38.917 -23.184 1.00 33.31 H new ATOM 0 HE1 HIS A 540 6.723 -42.152 -25.608 1.00 21.32 H new ATOM 0 HE2 HIS A 540 6.047 -39.900 -24.681 1.00 63.35 H new ATOM 196 N VAL A 541 11.081 -42.392 -20.211 1.00 40.55 N ATOM 197 CA VAL A 541 12.114 -43.355 -19.796 1.00 4.22 C ATOM 198 C VAL A 541 11.785 -44.713 -20.397 1.00 71.24 C ATOM 199 O VAL A 541 10.715 -44.917 -20.942 1.00 41.20 O ATOM 200 CB VAL A 541 12.244 -43.534 -18.241 1.00 60.43 C ATOM 201 CG1 VAL A 541 12.712 -42.267 -17.585 1.00 1.45 C ATOM 202 CG2 VAL A 541 10.920 -43.998 -17.615 1.00 71.44 C ATOM 0 H VAL A 541 10.136 -42.633 -19.912 1.00 40.55 H new ATOM 0 HA VAL A 541 13.063 -42.954 -20.152 1.00 4.22 H new ATOM 0 HB VAL A 541 12.991 -44.308 -18.069 1.00 60.43 H new ATOM 0 HG11 VAL A 541 12.792 -42.422 -16.509 1.00 1.45 H new ATOM 0 HG12 VAL A 541 13.687 -41.989 -17.985 1.00 1.45 H new ATOM 0 HG13 VAL A 541 11.997 -41.469 -17.784 1.00 1.45 H new ATOM 0 HG21 VAL A 541 11.047 -44.112 -16.538 1.00 71.44 H new ATOM 0 HG22 VAL A 541 10.145 -43.258 -17.813 1.00 71.44 H new ATOM 0 HG23 VAL A 541 10.628 -44.954 -18.049 1.00 71.44 H new ATOM 212 N SER A 542 12.709 -45.638 -20.233 1.00 3.34 N ATOM 213 CA SER A 542 12.537 -47.039 -20.594 1.00 53.41 C ATOM 214 C SER A 542 12.783 -47.740 -19.279 1.00 42.30 C ATOM 215 O SER A 542 13.484 -47.201 -18.447 1.00 23.22 O ATOM 216 CB SER A 542 13.598 -47.450 -21.618 1.00 52.14 C ATOM 217 OG SER A 542 13.782 -48.856 -21.668 1.00 23.35 O ATOM 0 H SER A 542 13.626 -45.435 -19.835 1.00 3.34 H new ATOM 0 HA SER A 542 11.569 -47.267 -21.041 1.00 53.41 H new ATOM 0 HB2 SER A 542 13.307 -47.089 -22.604 1.00 52.14 H new ATOM 0 HB3 SER A 542 14.545 -46.971 -21.369 1.00 52.14 H new ATOM 0 HG SER A 542 12.917 -49.303 -21.560 1.00 23.35 H new ATOM 223 N GLU A 543 12.254 -48.933 -19.096 1.00 62.04 N ATOM 224 CA GLU A 543 12.510 -49.736 -17.893 1.00 13.21 C ATOM 225 C GLU A 543 14.002 -49.999 -17.722 1.00 52.11 C ATOM 226 O GLU A 543 14.530 -50.028 -16.608 1.00 0.22 O ATOM 227 CB GLU A 543 11.785 -51.094 -17.966 1.00 32.41 C ATOM 228 CG GLU A 543 11.013 -51.369 -19.271 1.00 30.34 C ATOM 229 CD GLU A 543 11.909 -51.348 -20.521 1.00 60.14 C ATOM 230 OE1 GLU A 543 12.991 -51.972 -20.519 1.00 42.42 O ATOM 231 OE2 GLU A 543 11.622 -50.510 -21.413 1.00 44.20 O ATOM 0 H GLU A 543 11.634 -49.382 -19.770 1.00 62.04 H new ATOM 0 HA GLU A 543 12.134 -49.165 -17.044 1.00 13.21 H new ATOM 0 HB2 GLU A 543 12.521 -51.886 -17.827 1.00 32.41 H new ATOM 0 HB3 GLU A 543 11.086 -51.158 -17.132 1.00 32.41 H new ATOM 0 HG2 GLU A 543 10.524 -52.341 -19.199 1.00 30.34 H new ATOM 0 HG3 GLU A 543 10.226 -50.624 -19.384 1.00 30.34 H new ATOM 238 N SER A 544 14.680 -50.128 -18.850 1.00 64.34 N ATOM 239 CA SER A 544 16.109 -50.430 -18.902 1.00 13.44 C ATOM 240 C SER A 544 16.980 -49.316 -18.320 1.00 23.43 C ATOM 241 O SER A 544 18.177 -49.502 -18.111 1.00 23.24 O ATOM 242 CB SER A 544 16.510 -50.687 -20.353 1.00 0.31 C ATOM 243 OG SER A 544 15.849 -51.837 -20.869 1.00 5.44 O ATOM 0 H SER A 544 14.252 -50.025 -19.770 1.00 64.34 H new ATOM 0 HA SER A 544 16.277 -51.314 -18.287 1.00 13.44 H new ATOM 0 HB2 SER A 544 16.263 -49.817 -20.962 1.00 0.31 H new ATOM 0 HB3 SER A 544 17.589 -50.824 -20.417 1.00 0.31 H new ATOM 0 HG SER A 544 14.883 -51.748 -20.732 1.00 5.44 H new ATOM 249 N ILE A 545 16.382 -48.171 -18.021 1.00 72.14 N ATOM 250 CA ILE A 545 17.096 -47.085 -17.366 1.00 34.41 C ATOM 251 C ILE A 545 17.463 -47.484 -15.929 1.00 55.13 C ATOM 252 O ILE A 545 18.424 -46.964 -15.353 1.00 10.33 O ATOM 253 CB ILE A 545 16.227 -45.798 -17.346 1.00 74.24 C ATOM 254 CG1 ILE A 545 17.124 -44.574 -17.129 1.00 14.11 C ATOM 255 CG2 ILE A 545 15.089 -45.903 -16.284 1.00 73.52 C ATOM 256 CD1 ILE A 545 16.373 -43.313 -16.809 1.00 21.35 C ATOM 0 H ILE A 545 15.402 -47.970 -18.222 1.00 72.14 H new ATOM 0 HA ILE A 545 18.009 -46.885 -17.927 1.00 34.41 H new ATOM 0 HB ILE A 545 15.732 -45.682 -18.310 1.00 74.24 H new ATOM 0 HG12 ILE A 545 17.820 -44.786 -16.317 1.00 14.11 H new ATOM 0 HG13 ILE A 545 17.721 -44.411 -18.026 1.00 14.11 H new ATOM 0 HG21 ILE A 545 14.497 -44.988 -16.293 1.00 73.52 H new ATOM 0 HG22 ILE A 545 14.448 -46.752 -16.521 1.00 73.52 H new ATOM 0 HG23 ILE A 545 15.526 -46.043 -15.295 1.00 73.52 H new ATOM 0 HD11 ILE A 545 17.079 -42.494 -16.670 1.00 21.35 H new ATOM 0 HD12 ILE A 545 15.697 -43.074 -17.630 1.00 21.35 H new ATOM 0 HD13 ILE A 545 15.797 -43.455 -15.894 1.00 21.35 H new ATOM 268 N GLY A 546 16.690 -48.386 -15.335 1.00 23.53 N ATOM 269 CA GLY A 546 16.943 -48.789 -13.968 1.00 11.22 C ATOM 270 C GLY A 546 16.315 -47.860 -12.960 1.00 45.11 C ATOM 271 O GLY A 546 15.469 -48.255 -12.164 1.00 4.22 O ATOM 0 H GLY A 546 15.893 -48.844 -15.777 1.00 23.53 H new ATOM 0 HA2 GLY A 546 16.559 -49.798 -13.814 1.00 11.22 H new ATOM 0 HA3 GLY A 546 18.019 -48.828 -13.799 1.00 11.22 H new ATOM 275 N VAL A 547 16.767 -46.620 -12.966 1.00 62.32 N ATOM 276 CA VAL A 547 16.312 -45.623 -12.010 1.00 44.51 C ATOM 277 C VAL A 547 16.118 -44.290 -12.725 1.00 45.11 C ATOM 278 O VAL A 547 17.050 -43.748 -13.313 1.00 73.31 O ATOM 279 CB VAL A 547 17.355 -45.453 -10.868 1.00 32.21 C ATOM 280 CG1 VAL A 547 16.933 -44.344 -9.903 1.00 72.24 C ATOM 281 CG2 VAL A 547 17.535 -46.766 -10.078 1.00 21.25 C ATOM 0 H VAL A 547 17.458 -46.274 -13.631 1.00 62.32 H new ATOM 0 HA VAL A 547 15.367 -45.952 -11.577 1.00 44.51 H new ATOM 0 HB VAL A 547 18.302 -45.184 -11.335 1.00 32.21 H new ATOM 0 HG11 VAL A 547 17.679 -44.245 -9.114 1.00 72.24 H new ATOM 0 HG12 VAL A 547 16.851 -43.402 -10.445 1.00 72.24 H new ATOM 0 HG13 VAL A 547 15.968 -44.594 -9.461 1.00 72.24 H new ATOM 0 HG21 VAL A 547 18.270 -46.617 -9.287 1.00 21.25 H new ATOM 0 HG22 VAL A 547 16.582 -47.059 -9.638 1.00 21.25 H new ATOM 0 HG23 VAL A 547 17.881 -47.551 -10.751 1.00 21.25 H new ATOM 291 N MET A 548 14.906 -43.760 -12.660 1.00 71.54 N ATOM 292 CA MET A 548 14.595 -42.461 -13.241 1.00 2.23 C ATOM 293 C MET A 548 14.957 -41.375 -12.228 1.00 15.44 C ATOM 294 O MET A 548 14.940 -41.623 -11.015 1.00 24.44 O ATOM 295 CB MET A 548 13.108 -42.400 -13.624 1.00 71.21 C ATOM 296 CG MET A 548 12.153 -41.919 -12.507 1.00 43.42 C ATOM 297 SD MET A 548 12.011 -40.119 -12.402 1.00 71.44 S ATOM 298 CE MET A 548 11.508 -39.696 -14.098 1.00 44.22 C ATOM 0 H MET A 548 14.114 -44.214 -12.206 1.00 71.54 H new ATOM 0 HA MET A 548 15.174 -42.302 -14.151 1.00 2.23 H new ATOM 0 HB2 MET A 548 12.999 -41.737 -14.482 1.00 71.21 H new ATOM 0 HB3 MET A 548 12.792 -43.392 -13.946 1.00 71.21 H new ATOM 0 HG2 MET A 548 11.164 -42.344 -12.678 1.00 43.42 H new ATOM 0 HG3 MET A 548 12.504 -42.304 -11.550 1.00 43.42 H new ATOM 0 HE1 MET A 548 10.767 -38.897 -14.069 1.00 44.22 H new ATOM 0 HE2 MET A 548 12.378 -39.363 -14.663 1.00 44.22 H new ATOM 0 HE3 MET A 548 11.077 -40.574 -14.579 1.00 44.22 H new ATOM 308 N GLU A 549 15.261 -40.177 -12.711 1.00 41.25 N ATOM 309 CA GLU A 549 15.515 -39.038 -11.833 1.00 54.44 C ATOM 310 C GLU A 549 14.896 -37.754 -12.363 1.00 4.32 C ATOM 311 O GLU A 549 14.931 -37.485 -13.564 1.00 4.35 O ATOM 312 CB GLU A 549 17.016 -38.795 -11.624 1.00 4.51 C ATOM 313 CG GLU A 549 17.372 -38.621 -10.173 1.00 21.20 C ATOM 314 CD GLU A 549 18.876 -38.522 -9.918 1.00 0.41 C ATOM 315 OE1 GLU A 549 19.624 -38.106 -10.828 1.00 1.23 O ATOM 316 OE2 GLU A 549 19.299 -38.787 -8.765 1.00 14.25 O ATOM 0 H GLU A 549 15.338 -39.967 -13.706 1.00 41.25 H new ATOM 0 HA GLU A 549 15.051 -39.298 -10.882 1.00 54.44 H new ATOM 0 HB2 GLU A 549 17.578 -39.634 -12.035 1.00 4.51 H new ATOM 0 HB3 GLU A 549 17.318 -37.907 -12.179 1.00 4.51 H new ATOM 0 HG2 GLU A 549 16.888 -37.721 -9.795 1.00 21.20 H new ATOM 0 HG3 GLU A 549 16.971 -39.461 -9.606 1.00 21.20 H new ATOM 323 N VAL A 550 14.399 -36.929 -11.451 1.00 4.12 N ATOM 324 CA VAL A 550 13.951 -35.578 -11.787 1.00 42.11 C ATOM 325 C VAL A 550 14.822 -34.663 -10.971 1.00 72.31 C ATOM 326 O VAL A 550 15.161 -34.988 -9.834 1.00 34.21 O ATOM 327 CB VAL A 550 12.433 -35.329 -11.457 1.00 31.15 C ATOM 328 CG1 VAL A 550 11.667 -36.600 -11.618 1.00 51.24 C ATOM 329 CG2 VAL A 550 12.219 -34.770 -10.037 1.00 62.12 C ATOM 0 H VAL A 550 14.294 -37.171 -10.466 1.00 4.12 H new ATOM 0 HA VAL A 550 14.038 -35.406 -12.860 1.00 42.11 H new ATOM 0 HB VAL A 550 12.070 -34.578 -12.158 1.00 31.15 H new ATOM 0 HG11 VAL A 550 10.616 -36.423 -11.388 1.00 51.24 H new ATOM 0 HG12 VAL A 550 11.760 -36.953 -12.645 1.00 51.24 H new ATOM 0 HG13 VAL A 550 12.065 -37.353 -10.938 1.00 51.24 H new ATOM 0 HG21 VAL A 550 11.154 -34.617 -9.863 1.00 62.12 H new ATOM 0 HG22 VAL A 550 12.609 -35.477 -9.305 1.00 62.12 H new ATOM 0 HG23 VAL A 550 12.743 -33.819 -9.937 1.00 62.12 H new ATOM 339 N LYS A 551 15.183 -33.521 -11.522 1.00 33.40 N ATOM 340 CA LYS A 551 15.946 -32.539 -10.761 1.00 44.12 C ATOM 341 C LYS A 551 14.963 -31.522 -10.226 1.00 2.24 C ATOM 342 O LYS A 551 14.077 -31.055 -10.943 1.00 65.42 O ATOM 343 CB LYS A 551 17.019 -31.871 -11.620 1.00 64.51 C ATOM 344 CG LYS A 551 17.933 -32.875 -12.322 1.00 43.14 C ATOM 345 CD LYS A 551 19.017 -32.178 -13.130 1.00 74.54 C ATOM 346 CE LYS A 551 19.476 -33.054 -14.298 1.00 32.34 C ATOM 347 NZ LYS A 551 18.392 -33.168 -15.341 1.00 63.44 N ATOM 0 H LYS A 551 14.966 -33.248 -12.481 1.00 33.40 H new ATOM 0 HA LYS A 551 16.474 -33.028 -9.942 1.00 44.12 H new ATOM 0 HB2 LYS A 551 16.538 -31.241 -12.368 1.00 64.51 H new ATOM 0 HB3 LYS A 551 17.623 -31.215 -10.993 1.00 64.51 H new ATOM 0 HG2 LYS A 551 18.394 -33.528 -11.581 1.00 43.14 H new ATOM 0 HG3 LYS A 551 17.339 -33.510 -12.980 1.00 43.14 H new ATOM 0 HD2 LYS A 551 18.640 -31.228 -13.509 1.00 74.54 H new ATOM 0 HD3 LYS A 551 19.866 -31.950 -12.486 1.00 74.54 H new ATOM 0 HE2 LYS A 551 20.374 -32.629 -14.746 1.00 32.34 H new ATOM 0 HE3 LYS A 551 19.741 -34.046 -13.932 1.00 32.34 H new ATOM 0 HZ1 LYS A 551 18.769 -33.651 -16.182 1.00 63.44 H new ATOM 0 HZ2 LYS A 551 17.596 -33.715 -14.956 1.00 63.44 H new ATOM 0 HZ3 LYS A 551 18.063 -32.217 -15.606 1.00 63.44 H new ATOM 361 N VAL A 552 15.106 -31.204 -8.954 1.00 62.41 N ATOM 362 CA VAL A 552 14.251 -30.233 -8.286 1.00 63.51 C ATOM 363 C VAL A 552 15.010 -28.916 -8.126 1.00 11.41 C ATOM 364 O VAL A 552 16.089 -28.881 -7.525 1.00 42.42 O ATOM 365 CB VAL A 552 13.807 -30.719 -6.881 1.00 34.54 C ATOM 366 CG1 VAL A 552 12.556 -29.943 -6.440 1.00 10.44 C ATOM 367 CG2 VAL A 552 13.520 -32.250 -6.874 1.00 32.45 C ATOM 0 H VAL A 552 15.820 -31.611 -8.350 1.00 62.41 H new ATOM 0 HA VAL A 552 13.361 -30.101 -8.901 1.00 63.51 H new ATOM 0 HB VAL A 552 14.620 -30.531 -6.180 1.00 34.54 H new ATOM 0 HG11 VAL A 552 12.245 -30.285 -5.453 1.00 10.44 H new ATOM 0 HG12 VAL A 552 12.784 -28.878 -6.400 1.00 10.44 H new ATOM 0 HG13 VAL A 552 11.751 -30.115 -7.154 1.00 10.44 H new ATOM 0 HG21 VAL A 552 13.211 -32.558 -5.875 1.00 32.45 H new ATOM 0 HG22 VAL A 552 12.725 -32.474 -7.585 1.00 32.45 H new ATOM 0 HG23 VAL A 552 14.423 -32.791 -7.157 1.00 32.45 H new ATOM 377 N LEU A 553 14.457 -27.855 -8.696 1.00 64.43 N ATOM 378 CA LEU A 553 15.046 -26.525 -8.687 1.00 65.22 C ATOM 379 C LEU A 553 14.229 -25.636 -7.761 1.00 61.04 C ATOM 380 O LEU A 553 13.082 -25.952 -7.427 1.00 23.41 O ATOM 381 CB LEU A 553 15.016 -25.915 -10.093 1.00 52.31 C ATOM 382 CG LEU A 553 15.425 -26.764 -11.313 1.00 33.52 C ATOM 383 CD1 LEU A 553 16.724 -27.565 -11.118 1.00 24.14 C ATOM 384 CD2 LEU A 553 14.305 -27.652 -11.756 1.00 65.01 C ATOM 0 H LEU A 553 13.565 -27.897 -9.189 1.00 64.43 H new ATOM 0 HA LEU A 553 16.080 -26.598 -8.349 1.00 65.22 H new ATOM 0 HB2 LEU A 553 14.000 -25.561 -10.271 1.00 52.31 H new ATOM 0 HB3 LEU A 553 15.662 -25.037 -10.079 1.00 52.31 H new ATOM 0 HG LEU A 553 15.641 -26.047 -12.105 1.00 33.52 H new ATOM 0 HD11 LEU A 553 16.940 -28.134 -12.022 1.00 24.14 H new ATOM 0 HD12 LEU A 553 17.547 -26.880 -10.916 1.00 24.14 H new ATOM 0 HD13 LEU A 553 16.607 -28.249 -10.278 1.00 24.14 H new ATOM 0 HD21 LEU A 553 14.624 -28.238 -12.618 1.00 65.01 H new ATOM 0 HD22 LEU A 553 14.030 -28.323 -10.943 1.00 65.01 H new ATOM 0 HD23 LEU A 553 13.444 -27.042 -12.031 1.00 65.01 H new ATOM 396 N ARG A 554 14.814 -24.526 -7.335 1.00 73.11 N ATOM 397 CA ARG A 554 14.162 -23.617 -6.410 1.00 1.03 C ATOM 398 C ARG A 554 14.428 -22.159 -6.842 1.00 53.13 C ATOM 399 O ARG A 554 15.476 -21.870 -7.417 1.00 33.02 O ATOM 400 CB ARG A 554 14.697 -23.963 -5.004 1.00 24.12 C ATOM 401 CG ARG A 554 14.585 -22.886 -3.943 1.00 11.34 C ATOM 402 CD ARG A 554 15.931 -22.210 -3.698 1.00 33.54 C ATOM 403 NE ARG A 554 16.724 -21.985 -4.927 1.00 55.21 N ATOM 404 CZ ARG A 554 17.856 -21.300 -5.028 1.00 60.31 C ATOM 405 NH1 ARG A 554 18.440 -20.728 -4.009 1.00 71.30 N ATOM 406 NH2 ARG A 554 18.410 -21.190 -6.202 1.00 12.21 N ATOM 0 H ARG A 554 15.749 -24.233 -7.620 1.00 73.11 H new ATOM 0 HA ARG A 554 13.077 -23.722 -6.403 1.00 1.03 H new ATOM 0 HB2 ARG A 554 14.167 -24.847 -4.648 1.00 24.12 H new ATOM 0 HB3 ARG A 554 15.748 -24.238 -5.099 1.00 24.12 H new ATOM 0 HG2 ARG A 554 13.852 -22.141 -4.253 1.00 11.34 H new ATOM 0 HG3 ARG A 554 14.221 -23.324 -3.014 1.00 11.34 H new ATOM 0 HD2 ARG A 554 15.761 -21.252 -3.207 1.00 33.54 H new ATOM 0 HD3 ARG A 554 16.513 -22.822 -3.009 1.00 33.54 H new ATOM 0 HE ARG A 554 16.363 -22.400 -5.786 1.00 55.21 H new ATOM 0 HH11 ARG A 554 18.026 -20.796 -3.079 1.00 71.30 H new ATOM 0 HH12 ARG A 554 19.310 -20.213 -4.143 1.00 71.30 H new ATOM 0 HH21 ARG A 554 17.973 -21.625 -7.015 1.00 12.21 H new ATOM 0 HH22 ARG A 554 19.280 -20.669 -6.308 1.00 12.21 H new ATOM 420 N THR A 555 13.493 -21.261 -6.554 1.00 74.22 N ATOM 421 CA THR A 555 13.639 -19.810 -6.842 1.00 12.13 C ATOM 422 C THR A 555 14.575 -19.110 -5.848 1.00 25.52 C ATOM 423 O THR A 555 14.981 -19.707 -4.880 1.00 43.40 O ATOM 424 CB THR A 555 12.257 -19.085 -6.812 1.00 71.00 C ATOM 425 OG1 THR A 555 12.349 -17.851 -7.529 1.00 41.33 O ATOM 426 CG2 THR A 555 11.811 -18.769 -5.379 1.00 42.25 C ATOM 0 H THR A 555 12.605 -21.503 -6.113 1.00 74.22 H new ATOM 0 HA THR A 555 14.072 -19.746 -7.840 1.00 12.13 H new ATOM 0 HB THR A 555 11.528 -19.754 -7.270 1.00 71.00 H new ATOM 0 HG1 THR A 555 11.481 -17.397 -7.511 1.00 41.33 H new ATOM 0 HG21 THR A 555 10.845 -18.265 -5.401 1.00 42.25 H new ATOM 0 HG22 THR A 555 11.723 -19.696 -4.812 1.00 42.25 H new ATOM 0 HG23 THR A 555 12.547 -18.121 -4.903 1.00 42.25 H new ATOM 434 N SER A 556 14.870 -17.830 -6.048 1.00 0.21 N ATOM 435 CA SER A 556 15.749 -17.050 -5.153 1.00 45.42 C ATOM 436 C SER A 556 15.234 -16.796 -3.715 1.00 5.54 C ATOM 437 O SER A 556 15.607 -15.815 -3.083 1.00 33.42 O ATOM 438 CB SER A 556 16.009 -15.698 -5.812 1.00 15.22 C ATOM 439 OG SER A 556 16.194 -15.874 -7.208 1.00 44.30 O ATOM 0 H SER A 556 14.510 -17.292 -6.836 1.00 0.21 H new ATOM 0 HA SER A 556 16.640 -17.664 -5.025 1.00 45.42 H new ATOM 0 HB2 SER A 556 15.171 -15.026 -5.628 1.00 15.22 H new ATOM 0 HB3 SER A 556 16.892 -15.233 -5.374 1.00 15.22 H new ATOM 0 HG SER A 556 16.359 -15.004 -7.628 1.00 44.30 H new ATOM 445 N GLY A 557 14.391 -17.685 -3.210 1.00 21.33 N ATOM 446 CA GLY A 557 13.816 -17.559 -1.880 1.00 33.10 C ATOM 447 C GLY A 557 14.439 -18.469 -0.839 1.00 5.43 C ATOM 448 O GLY A 557 13.863 -18.671 0.205 1.00 74.34 O ATOM 0 H GLY A 557 14.086 -18.517 -3.714 1.00 21.33 H new ATOM 0 HA2 GLY A 557 13.919 -16.525 -1.550 1.00 33.10 H new ATOM 0 HA3 GLY A 557 12.748 -17.771 -1.938 1.00 33.10 H new ATOM 452 N ALA A 558 15.585 -19.070 -1.115 1.00 61.02 N ATOM 453 CA ALA A 558 16.179 -19.995 -0.139 1.00 55.34 C ATOM 454 C ALA A 558 16.812 -19.261 1.024 1.00 52.21 C ATOM 455 O ALA A 558 17.919 -18.735 0.924 1.00 13.41 O ATOM 456 CB ALA A 558 17.196 -20.889 -0.770 1.00 15.05 C ATOM 0 H ALA A 558 16.116 -18.946 -1.977 1.00 61.02 H new ATOM 0 HA ALA A 558 15.357 -20.605 0.237 1.00 55.34 H new ATOM 0 HB1 ALA A 558 17.611 -21.557 -0.016 1.00 15.05 H new ATOM 0 HB2 ALA A 558 16.725 -21.478 -1.557 1.00 15.05 H new ATOM 0 HB3 ALA A 558 17.995 -20.285 -1.199 1.00 15.05 H new ATOM 462 N ARG A 559 16.117 -19.284 2.143 1.00 62.54 N ATOM 463 CA ARG A 559 16.620 -18.710 3.373 1.00 75.44 C ATOM 464 C ARG A 559 16.489 -19.801 4.420 1.00 14.22 C ATOM 465 O ARG A 559 15.385 -20.199 4.750 1.00 64.44 O ATOM 466 CB ARG A 559 15.797 -17.465 3.724 1.00 14.45 C ATOM 467 CG ARG A 559 15.686 -16.466 2.549 1.00 11.53 C ATOM 468 CD ARG A 559 15.181 -15.110 3.028 1.00 25.54 C ATOM 469 NE ARG A 559 15.126 -14.118 1.939 1.00 63.55 N ATOM 470 CZ ARG A 559 16.144 -13.365 1.530 1.00 13.42 C ATOM 471 NH1 ARG A 559 17.337 -13.438 2.068 1.00 64.42 N ATOM 472 NH2 ARG A 559 15.957 -12.517 0.562 1.00 42.32 N ATOM 0 H ARG A 559 15.189 -19.700 2.225 1.00 62.54 H new ATOM 0 HA ARG A 559 17.658 -18.386 3.299 1.00 75.44 H new ATOM 0 HB2 ARG A 559 14.797 -17.771 4.030 1.00 14.45 H new ATOM 0 HB3 ARG A 559 16.252 -16.964 4.578 1.00 14.45 H new ATOM 0 HG2 ARG A 559 16.660 -16.348 2.075 1.00 11.53 H new ATOM 0 HG3 ARG A 559 15.009 -16.863 1.793 1.00 11.53 H new ATOM 0 HD2 ARG A 559 14.187 -15.227 3.461 1.00 25.54 H new ATOM 0 HD3 ARG A 559 15.832 -14.741 3.820 1.00 25.54 H new ATOM 0 HE ARG A 559 14.234 -13.999 1.459 1.00 63.55 H new ATOM 0 HH11 ARG A 559 17.513 -14.091 2.831 1.00 64.42 H new ATOM 0 HH12 ARG A 559 18.089 -12.842 1.723 1.00 64.42 H new ATOM 0 HH21 ARG A 559 15.039 -12.435 0.126 1.00 42.32 H new ATOM 0 HH22 ARG A 559 16.729 -11.934 0.239 1.00 42.32 H new ATOM 486 N GLY A 560 17.605 -20.343 4.875 1.00 12.31 N ATOM 487 CA GLY A 560 17.559 -21.439 5.826 1.00 53.22 C ATOM 488 C GLY A 560 17.415 -22.801 5.182 1.00 54.24 C ATOM 489 O GLY A 560 17.786 -23.009 4.019 1.00 2.20 O ATOM 0 H GLY A 560 18.543 -20.047 4.605 1.00 12.31 H new ATOM 0 HA2 GLY A 560 18.469 -21.426 6.426 1.00 53.22 H new ATOM 0 HA3 GLY A 560 16.724 -21.280 6.509 1.00 53.22 H new ATOM 493 N THR A 561 16.881 -23.730 5.957 1.00 25.01 N ATOM 494 CA THR A 561 16.720 -25.117 5.549 1.00 73.13 C ATOM 495 C THR A 561 15.246 -25.423 5.427 1.00 64.54 C ATOM 496 O THR A 561 14.435 -25.045 6.249 1.00 33.12 O ATOM 497 CB THR A 561 17.359 -26.084 6.569 1.00 52.40 C ATOM 498 OG1 THR A 561 18.756 -25.798 6.671 1.00 74.35 O ATOM 499 CG2 THR A 561 17.196 -27.513 6.176 1.00 24.41 C ATOM 0 H THR A 561 16.542 -23.540 6.900 1.00 25.01 H new ATOM 0 HA THR A 561 17.222 -25.256 4.592 1.00 73.13 H new ATOM 0 HB THR A 561 16.852 -25.936 7.522 1.00 52.40 H new ATOM 0 HG1 THR A 561 18.924 -25.274 7.482 1.00 74.35 H new ATOM 0 HG21 THR A 561 17.662 -28.152 6.926 1.00 24.41 H new ATOM 0 HG22 THR A 561 16.135 -27.752 6.105 1.00 24.41 H new ATOM 0 HG23 THR A 561 17.671 -27.681 5.210 1.00 24.41 H new ATOM 507 N VAL A 562 14.924 -26.093 4.351 1.00 61.22 N ATOM 508 CA VAL A 562 13.567 -26.472 3.976 1.00 5.13 C ATOM 509 C VAL A 562 13.598 -27.972 3.675 1.00 52.14 C ATOM 510 O VAL A 562 14.565 -28.460 3.122 1.00 62.21 O ATOM 511 CB VAL A 562 13.140 -25.679 2.704 1.00 3.30 C ATOM 512 CG1 VAL A 562 11.789 -26.152 2.161 1.00 43.42 C ATOM 513 CG2 VAL A 562 13.077 -24.177 2.989 1.00 65.11 C ATOM 0 H VAL A 562 15.622 -26.407 3.677 1.00 61.22 H new ATOM 0 HA VAL A 562 12.855 -26.250 4.771 1.00 5.13 H new ATOM 0 HB VAL A 562 13.900 -25.871 1.946 1.00 3.30 H new ATOM 0 HG11 VAL A 562 11.530 -25.573 1.275 1.00 43.42 H new ATOM 0 HG12 VAL A 562 11.852 -27.208 1.899 1.00 43.42 H new ATOM 0 HG13 VAL A 562 11.022 -26.012 2.923 1.00 43.42 H new ATOM 0 HG21 VAL A 562 12.777 -23.647 2.085 1.00 65.11 H new ATOM 0 HG22 VAL A 562 12.351 -23.987 3.779 1.00 65.11 H new ATOM 0 HG23 VAL A 562 14.059 -23.825 3.306 1.00 65.11 H new ATOM 523 N ILE A 563 12.543 -28.693 4.016 1.00 53.52 N ATOM 524 CA ILE A 563 12.436 -30.108 3.690 1.00 44.41 C ATOM 525 C ILE A 563 11.244 -30.248 2.735 1.00 53.41 C ATOM 526 O ILE A 563 10.246 -29.532 2.890 1.00 52.14 O ATOM 527 CB ILE A 563 12.286 -30.975 4.982 1.00 61.34 C ATOM 528 CG1 ILE A 563 13.046 -32.290 4.820 1.00 61.31 C ATOM 529 CG2 ILE A 563 10.809 -31.278 5.324 1.00 15.31 C ATOM 530 CD1 ILE A 563 13.474 -32.909 6.129 1.00 31.33 C ATOM 0 H ILE A 563 11.741 -28.319 4.523 1.00 53.52 H new ATOM 0 HA ILE A 563 13.340 -30.477 3.206 1.00 44.41 H new ATOM 0 HB ILE A 563 12.704 -30.394 5.804 1.00 61.34 H new ATOM 0 HG12 ILE A 563 12.417 -32.999 4.282 1.00 61.31 H new ATOM 0 HG13 ILE A 563 13.929 -32.116 4.205 1.00 61.31 H new ATOM 0 HG21 ILE A 563 10.762 -31.883 6.230 1.00 15.31 H new ATOM 0 HG22 ILE A 563 10.273 -30.342 5.484 1.00 15.31 H new ATOM 0 HG23 ILE A 563 10.349 -31.823 4.500 1.00 15.31 H new ATOM 0 HD11 ILE A 563 14.008 -33.839 5.934 1.00 31.33 H new ATOM 0 HD12 ILE A 563 14.129 -32.219 6.661 1.00 31.33 H new ATOM 0 HD13 ILE A 563 12.594 -33.116 6.738 1.00 31.33 H new ATOM 542 N VAL A 564 11.343 -31.103 1.725 1.00 61.01 N ATOM 543 CA VAL A 564 10.232 -31.281 0.774 1.00 20.42 C ATOM 544 C VAL A 564 9.954 -32.753 0.435 1.00 22.20 C ATOM 545 O VAL A 564 10.804 -33.428 -0.145 1.00 63.34 O ATOM 546 CB VAL A 564 10.478 -30.553 -0.586 1.00 1.54 C ATOM 547 CG1 VAL A 564 9.167 -30.537 -1.417 1.00 42.12 C ATOM 548 CG2 VAL A 564 10.981 -29.117 -0.364 1.00 22.23 C ATOM 0 H VAL A 564 12.163 -31.680 1.537 1.00 61.01 H new ATOM 0 HA VAL A 564 9.378 -30.847 1.295 1.00 20.42 H new ATOM 0 HB VAL A 564 11.247 -31.098 -1.133 1.00 1.54 H new ATOM 0 HG11 VAL A 564 9.343 -30.028 -2.365 1.00 42.12 H new ATOM 0 HG12 VAL A 564 8.845 -31.561 -1.609 1.00 42.12 H new ATOM 0 HG13 VAL A 564 8.391 -30.011 -0.862 1.00 42.12 H new ATOM 0 HG21 VAL A 564 11.143 -28.635 -1.328 1.00 22.23 H new ATOM 0 HG22 VAL A 564 10.238 -28.555 0.202 1.00 22.23 H new ATOM 0 HG23 VAL A 564 11.918 -29.142 0.192 1.00 22.23 H new ATOM 558 N PRO A 565 8.753 -33.263 0.760 1.00 3.54 N ATOM 559 CA PRO A 565 8.381 -34.614 0.334 1.00 42.53 C ATOM 560 C PRO A 565 7.989 -34.756 -1.110 1.00 41.25 C ATOM 561 O PRO A 565 7.472 -33.827 -1.729 1.00 14.14 O ATOM 562 CB PRO A 565 7.151 -34.921 1.204 1.00 51.11 C ATOM 563 CG PRO A 565 6.571 -33.622 1.495 1.00 51.01 C ATOM 564 CD PRO A 565 7.671 -32.624 1.525 1.00 45.43 C ATOM 0 HA PRO A 565 9.237 -35.280 0.444 1.00 42.53 H new ATOM 0 HB2 PRO A 565 6.443 -35.561 0.677 1.00 51.11 H new ATOM 0 HB3 PRO A 565 7.433 -35.442 2.119 1.00 51.11 H new ATOM 0 HG2 PRO A 565 5.835 -33.355 0.737 1.00 51.01 H new ATOM 0 HG3 PRO A 565 6.050 -33.643 2.452 1.00 51.01 H new ATOM 0 HD2 PRO A 565 7.366 -31.680 1.073 1.00 45.43 H new ATOM 0 HD3 PRO A 565 7.981 -32.403 2.546 1.00 45.43 H new ATOM 572 N PHE A 566 8.152 -35.969 -1.608 1.00 43.11 N ATOM 573 CA PHE A 566 7.690 -36.356 -2.917 1.00 72.32 C ATOM 574 C PHE A 566 7.121 -37.745 -2.786 1.00 44.23 C ATOM 575 O PHE A 566 7.400 -38.428 -1.797 1.00 3.34 O ATOM 576 CB PHE A 566 8.865 -36.398 -3.865 1.00 21.51 C ATOM 577 CG PHE A 566 9.910 -37.431 -3.494 1.00 53.22 C ATOM 578 CD1 PHE A 566 10.981 -37.088 -2.646 1.00 42.22 C ATOM 579 CD2 PHE A 566 9.839 -38.746 -3.998 1.00 71.02 C ATOM 580 CE1 PHE A 566 11.971 -38.043 -2.304 1.00 13.44 C ATOM 581 CE2 PHE A 566 10.820 -39.708 -3.658 1.00 21.43 C ATOM 582 CZ PHE A 566 11.888 -39.354 -2.813 1.00 22.31 C ATOM 0 H PHE A 566 8.618 -36.721 -1.100 1.00 43.11 H new ATOM 0 HA PHE A 566 6.947 -35.654 -3.296 1.00 72.32 H new ATOM 0 HB2 PHE A 566 8.502 -36.607 -4.871 1.00 21.51 H new ATOM 0 HB3 PHE A 566 9.333 -35.414 -3.893 1.00 21.51 H new ATOM 0 HD1 PHE A 566 11.049 -36.085 -2.251 1.00 42.22 H new ATOM 0 HD2 PHE A 566 9.025 -39.023 -4.652 1.00 71.02 H new ATOM 0 HE1 PHE A 566 12.788 -37.766 -1.654 1.00 13.44 H new ATOM 0 HE2 PHE A 566 10.749 -40.713 -4.047 1.00 21.43 H new ATOM 0 HZ PHE A 566 12.641 -40.084 -2.556 1.00 22.31 H new ATOM 592 N ARG A 567 6.378 -38.184 -3.790 1.00 33.24 N ATOM 593 CA ARG A 567 5.908 -39.559 -3.846 1.00 62.44 C ATOM 594 C ARG A 567 5.614 -39.882 -5.295 1.00 41.23 C ATOM 595 O ARG A 567 5.265 -38.987 -6.071 1.00 41.10 O ATOM 596 CB ARG A 567 4.662 -39.751 -2.961 1.00 13.12 C ATOM 597 CG ARG A 567 3.451 -38.953 -3.398 1.00 22.12 C ATOM 598 CD ARG A 567 2.486 -39.839 -4.148 1.00 51.34 C ATOM 599 NE ARG A 567 1.589 -40.634 -3.280 1.00 24.31 N ATOM 600 CZ ARG A 567 0.886 -41.701 -3.669 1.00 34.44 C ATOM 601 NH1 ARG A 567 0.941 -42.180 -4.878 1.00 20.54 N ATOM 602 NH2 ARG A 567 0.112 -42.307 -2.814 1.00 74.23 N ATOM 0 H ARG A 567 6.087 -37.606 -4.579 1.00 33.24 H new ATOM 0 HA ARG A 567 6.668 -40.238 -3.461 1.00 62.44 H new ATOM 0 HB2 ARG A 567 4.399 -40.809 -2.950 1.00 13.12 H new ATOM 0 HB3 ARG A 567 4.913 -39.474 -1.937 1.00 13.12 H new ATOM 0 HG2 ARG A 567 2.958 -38.521 -2.527 1.00 22.12 H new ATOM 0 HG3 ARG A 567 3.763 -38.123 -4.032 1.00 22.12 H new ATOM 0 HD2 ARG A 567 1.879 -39.219 -4.807 1.00 51.34 H new ATOM 0 HD3 ARG A 567 3.054 -40.519 -4.784 1.00 51.34 H new ATOM 0 HE ARG A 567 1.500 -40.344 -2.306 1.00 24.31 H new ATOM 0 HH11 ARG A 567 1.540 -41.738 -5.575 1.00 20.54 H new ATOM 0 HH12 ARG A 567 0.385 -42.998 -5.128 1.00 20.54 H new ATOM 0 HH21 ARG A 567 0.046 -41.966 -1.855 1.00 74.23 H new ATOM 0 HH22 ARG A 567 -0.428 -43.122 -3.104 1.00 74.23 H new ATOM 616 N THR A 568 5.714 -41.146 -5.646 1.00 3.41 N ATOM 617 CA THR A 568 5.460 -41.597 -7.004 1.00 42.24 C ATOM 618 C THR A 568 3.958 -41.715 -7.126 1.00 42.12 C ATOM 619 O THR A 568 3.316 -42.218 -6.233 1.00 74.41 O ATOM 620 CB THR A 568 6.102 -42.976 -7.218 1.00 40.01 C ATOM 621 OG1 THR A 568 7.498 -42.880 -6.965 1.00 30.55 O ATOM 622 CG2 THR A 568 5.962 -43.455 -8.595 1.00 34.53 C ATOM 0 H THR A 568 5.973 -41.892 -5.001 1.00 3.41 H new ATOM 0 HA THR A 568 5.874 -40.910 -7.742 1.00 42.24 H new ATOM 0 HB THR A 568 5.595 -43.667 -6.544 1.00 40.01 H new ATOM 0 HG1 THR A 568 7.645 -42.663 -6.021 1.00 30.55 H new ATOM 0 HG21 THR A 568 6.433 -44.433 -8.690 1.00 34.53 H new ATOM 0 HG22 THR A 568 4.904 -43.536 -8.846 1.00 34.53 H new ATOM 0 HG23 THR A 568 6.444 -42.753 -9.275 1.00 34.53 H new ATOM 630 N VAL A 569 3.406 -41.154 -8.185 1.00 52.10 N ATOM 631 CA VAL A 569 1.971 -41.087 -8.408 1.00 60.23 C ATOM 632 C VAL A 569 1.731 -41.816 -9.701 1.00 63.04 C ATOM 633 O VAL A 569 2.067 -41.346 -10.784 1.00 71.24 O ATOM 634 CB VAL A 569 1.452 -39.641 -8.595 1.00 53.33 C ATOM 635 CG1 VAL A 569 -0.078 -39.645 -8.781 1.00 64.30 C ATOM 636 CG2 VAL A 569 1.802 -38.752 -7.420 1.00 53.43 C ATOM 0 H VAL A 569 3.952 -40.723 -8.931 1.00 52.10 H new ATOM 0 HA VAL A 569 1.457 -41.508 -7.544 1.00 60.23 H new ATOM 0 HB VAL A 569 1.940 -39.240 -9.484 1.00 53.33 H new ATOM 0 HG11 VAL A 569 -0.431 -38.622 -8.912 1.00 64.30 H new ATOM 0 HG12 VAL A 569 -0.336 -40.233 -9.662 1.00 64.30 H new ATOM 0 HG13 VAL A 569 -0.550 -40.082 -7.901 1.00 64.30 H new ATOM 0 HG21 VAL A 569 1.417 -37.748 -7.596 1.00 53.43 H new ATOM 0 HG22 VAL A 569 1.356 -39.157 -6.512 1.00 53.43 H new ATOM 0 HG23 VAL A 569 2.885 -38.711 -7.305 1.00 53.43 H new ATOM 646 N GLU A 570 1.188 -42.990 -9.575 1.00 74.23 N ATOM 647 CA GLU A 570 0.910 -43.829 -10.710 1.00 44.12 C ATOM 648 C GLU A 570 -0.332 -43.301 -11.432 1.00 33.42 C ATOM 649 O GLU A 570 -1.298 -42.875 -10.796 1.00 60.04 O ATOM 650 CB GLU A 570 0.772 -45.275 -10.240 1.00 23.33 C ATOM 651 CG GLU A 570 0.013 -45.465 -8.925 1.00 4.12 C ATOM 652 CD GLU A 570 0.808 -45.060 -7.680 1.00 74.20 C ATOM 653 OE1 GLU A 570 1.959 -45.492 -7.534 1.00 52.04 O ATOM 654 OE2 GLU A 570 0.311 -44.181 -6.923 1.00 30.44 O ATOM 0 H GLU A 570 0.923 -43.398 -8.679 1.00 74.23 H new ATOM 0 HA GLU A 570 1.727 -43.807 -11.431 1.00 44.12 H new ATOM 0 HB2 GLU A 570 0.266 -45.846 -11.018 1.00 23.33 H new ATOM 0 HB3 GLU A 570 1.769 -45.701 -10.130 1.00 23.33 H new ATOM 0 HG2 GLU A 570 -0.907 -44.881 -8.961 1.00 4.12 H new ATOM 0 HG3 GLU A 570 -0.277 -46.512 -8.833 1.00 4.12 H new ATOM 661 N GLY A 571 -0.267 -43.262 -12.757 1.00 71.23 N ATOM 662 CA GLY A 571 -1.378 -42.774 -13.562 1.00 53.24 C ATOM 663 C GLY A 571 -2.038 -43.965 -14.213 1.00 31.34 C ATOM 664 O GLY A 571 -3.072 -44.439 -13.750 1.00 5.03 O ATOM 0 H GLY A 571 0.545 -43.563 -13.297 1.00 71.23 H new ATOM 0 HA2 GLY A 571 -2.092 -42.235 -12.940 1.00 53.24 H new ATOM 0 HA3 GLY A 571 -1.023 -42.074 -14.318 1.00 53.24 H new ATOM 668 N THR A 572 -1.376 -44.514 -15.220 1.00 11.53 N ATOM 669 CA THR A 572 -1.703 -45.843 -15.713 1.00 5.15 C ATOM 670 C THR A 572 -0.426 -46.637 -15.451 1.00 21.41 C ATOM 671 O THR A 572 0.637 -46.317 -15.987 1.00 51.04 O ATOM 672 CB THR A 572 -2.211 -45.856 -17.191 1.00 4.52 C ATOM 673 OG1 THR A 572 -2.432 -47.202 -17.613 1.00 43.30 O ATOM 674 CG2 THR A 572 -1.261 -45.187 -18.153 1.00 10.34 C ATOM 0 H THR A 572 -0.608 -44.059 -15.713 1.00 11.53 H new ATOM 0 HA THR A 572 -2.559 -46.290 -15.207 1.00 5.15 H new ATOM 0 HB THR A 572 -3.140 -45.286 -17.205 1.00 4.52 H new ATOM 0 HG1 THR A 572 -1.574 -47.671 -17.675 1.00 43.30 H new ATOM 0 HG21 THR A 572 -1.673 -45.231 -19.161 1.00 10.34 H new ATOM 0 HG22 THR A 572 -1.122 -44.146 -17.862 1.00 10.34 H new ATOM 0 HG23 THR A 572 -0.300 -45.701 -18.132 1.00 10.34 H new ATOM 682 N ALA A 573 -0.545 -47.553 -14.492 1.00 12.20 N ATOM 683 CA ALA A 573 0.539 -48.381 -13.948 1.00 24.43 C ATOM 684 C ALA A 573 -0.128 -49.044 -12.746 1.00 43.44 C ATOM 685 O ALA A 573 -1.163 -48.553 -12.288 1.00 43.22 O ATOM 686 CB ALA A 573 1.729 -47.536 -13.482 1.00 73.32 C ATOM 0 H ALA A 573 -1.442 -47.751 -14.049 1.00 12.20 H new ATOM 0 HA ALA A 573 0.945 -49.075 -14.683 1.00 24.43 H new ATOM 0 HB1 ALA A 573 2.507 -48.190 -13.087 1.00 73.32 H new ATOM 0 HB2 ALA A 573 2.125 -46.969 -14.325 1.00 73.32 H new ATOM 0 HB3 ALA A 573 1.403 -46.848 -12.702 1.00 73.32 H new ATOM 692 N LYS A 574 0.448 -50.108 -12.198 1.00 71.34 N ATOM 693 CA LYS A 574 -0.110 -50.745 -11.028 1.00 13.22 C ATOM 694 C LYS A 574 0.681 -50.288 -9.767 1.00 4.22 C ATOM 695 O LYS A 574 0.183 -50.378 -8.639 1.00 14.12 O ATOM 696 CB LYS A 574 -0.139 -52.244 -11.321 1.00 31.51 C ATOM 697 CG LYS A 574 0.213 -53.108 -10.217 1.00 3.45 C ATOM 698 CD LYS A 574 -0.895 -53.236 -9.163 1.00 42.44 C ATOM 699 CE LYS A 574 -0.376 -53.889 -7.894 1.00 31.05 C ATOM 700 NZ LYS A 574 0.804 -53.150 -7.327 1.00 61.02 N ATOM 0 H LYS A 574 1.301 -50.542 -12.551 1.00 71.34 H new ATOM 0 HA LYS A 574 -1.136 -50.456 -10.803 1.00 13.22 H new ATOM 0 HB2 LYS A 574 -1.140 -52.509 -11.660 1.00 31.51 H new ATOM 0 HB3 LYS A 574 0.542 -52.447 -12.148 1.00 31.51 H new ATOM 0 HG2 LYS A 574 0.452 -54.099 -10.603 1.00 3.45 H new ATOM 0 HG3 LYS A 574 1.115 -52.725 -9.740 1.00 3.45 H new ATOM 0 HD2 LYS A 574 -1.294 -52.249 -8.930 1.00 42.44 H new ATOM 0 HD3 LYS A 574 -1.718 -53.825 -9.567 1.00 42.44 H new ATOM 0 HE2 LYS A 574 -1.173 -53.925 -7.152 1.00 31.05 H new ATOM 0 HE3 LYS A 574 -0.092 -54.920 -8.106 1.00 31.05 H new ATOM 0 HZ1 LYS A 574 0.694 -53.058 -6.297 1.00 61.02 H new ATOM 0 HZ2 LYS A 574 1.676 -53.676 -7.537 1.00 61.02 H new ATOM 0 HZ3 LYS A 574 0.859 -52.204 -7.755 1.00 61.02 H new ATOM 714 N GLY A 575 1.867 -49.723 -9.966 1.00 75.21 N ATOM 715 CA GLY A 575 2.654 -49.190 -8.853 1.00 13.11 C ATOM 716 C GLY A 575 3.117 -50.253 -7.877 1.00 31.33 C ATOM 717 O GLY A 575 3.035 -51.439 -8.166 1.00 42.45 O ATOM 0 H GLY A 575 2.305 -49.621 -10.881 1.00 75.21 H new ATOM 0 HA2 GLY A 575 3.525 -48.669 -9.251 1.00 13.11 H new ATOM 0 HA3 GLY A 575 2.058 -48.451 -8.318 1.00 13.11 H new ATOM 721 N GLY A 576 3.575 -49.859 -6.702 1.00 33.33 N ATOM 722 CA GLY A 576 4.000 -50.832 -5.706 1.00 45.54 C ATOM 723 C GLY A 576 5.392 -51.373 -5.967 1.00 35.13 C ATOM 724 O GLY A 576 6.375 -50.736 -5.633 1.00 32.12 O ATOM 0 H GLY A 576 3.662 -48.884 -6.414 1.00 33.33 H new ATOM 0 HA2 GLY A 576 3.974 -50.369 -4.719 1.00 45.54 H new ATOM 0 HA3 GLY A 576 3.291 -51.660 -5.688 1.00 45.54 H new ATOM 728 N GLY A 577 5.456 -52.601 -6.464 1.00 0.25 N ATOM 729 CA GLY A 577 6.706 -53.237 -6.852 1.00 61.11 C ATOM 730 C GLY A 577 6.670 -53.692 -8.300 1.00 65.24 C ATOM 731 O GLY A 577 7.413 -54.590 -8.660 1.00 75.40 O ATOM 0 H GLY A 577 4.635 -53.188 -6.610 1.00 0.25 H new ATOM 0 HA2 GLY A 577 7.531 -52.539 -6.709 1.00 61.11 H new ATOM 0 HA3 GLY A 577 6.897 -54.093 -6.205 1.00 61.11 H new ATOM 735 N GLU A 578 5.682 -53.235 -9.056 1.00 43.24 N ATOM 736 CA GLU A 578 5.314 -53.868 -10.316 1.00 22.44 C ATOM 737 C GLU A 578 5.935 -53.262 -11.579 1.00 72.43 C ATOM 738 O GLU A 578 6.655 -53.920 -12.300 1.00 22.21 O ATOM 739 CB GLU A 578 3.809 -53.741 -10.416 1.00 70.52 C ATOM 740 CG GLU A 578 3.057 -55.023 -10.486 1.00 3.43 C ATOM 741 CD GLU A 578 2.540 -55.488 -9.105 1.00 55.02 C ATOM 742 OE1 GLU A 578 2.955 -54.923 -8.057 1.00 74.50 O ATOM 743 OE2 GLU A 578 1.607 -56.319 -9.080 1.00 24.01 O ATOM 0 H GLU A 578 5.116 -52.421 -8.816 1.00 43.24 H new ATOM 0 HA GLU A 578 5.691 -54.890 -10.287 1.00 22.44 H new ATOM 0 HB2 GLU A 578 3.452 -53.178 -9.553 1.00 70.52 H new ATOM 0 HB3 GLU A 578 3.570 -53.152 -11.302 1.00 70.52 H new ATOM 0 HG2 GLU A 578 2.212 -54.907 -11.165 1.00 3.43 H new ATOM 0 HG3 GLU A 578 3.701 -55.795 -10.907 1.00 3.43 H new ATOM 750 N ASP A 579 5.576 -52.017 -11.846 1.00 62.33 N ATOM 751 CA ASP A 579 6.044 -51.274 -13.031 1.00 73.22 C ATOM 752 C ASP A 579 7.225 -50.414 -12.591 1.00 63.01 C ATOM 753 O ASP A 579 8.214 -50.221 -13.286 1.00 31.32 O ATOM 754 CB ASP A 579 4.890 -50.390 -13.521 1.00 31.23 C ATOM 755 CG ASP A 579 5.253 -49.552 -14.738 1.00 75.11 C ATOM 756 OD1 ASP A 579 6.151 -49.922 -15.511 1.00 5.43 O ATOM 757 OD2 ASP A 579 4.602 -48.502 -14.911 1.00 13.32 O ATOM 0 H ASP A 579 4.947 -51.479 -11.249 1.00 62.33 H new ATOM 0 HA ASP A 579 6.353 -51.939 -13.838 1.00 73.22 H new ATOM 0 HB2 ASP A 579 4.035 -51.021 -13.764 1.00 31.23 H new ATOM 0 HB3 ASP A 579 4.578 -49.729 -12.712 1.00 31.23 H new ATOM 762 N PHE A 580 7.119 -49.941 -11.368 1.00 63.02 N ATOM 763 CA PHE A 580 8.155 -49.161 -10.732 1.00 24.43 C ATOM 764 C PHE A 580 7.842 -49.280 -9.269 1.00 62.42 C ATOM 765 O PHE A 580 6.751 -49.727 -8.893 1.00 63.10 O ATOM 766 CB PHE A 580 8.128 -47.696 -11.172 1.00 41.43 C ATOM 767 CG PHE A 580 6.756 -47.124 -11.259 1.00 35.43 C ATOM 768 CD1 PHE A 580 6.040 -46.765 -10.100 1.00 31.01 C ATOM 769 CD2 PHE A 580 6.160 -46.951 -12.512 1.00 54.22 C ATOM 770 CE1 PHE A 580 4.732 -46.242 -10.204 1.00 70.52 C ATOM 771 CE2 PHE A 580 4.873 -46.429 -12.624 1.00 73.51 C ATOM 772 CZ PHE A 580 4.156 -46.070 -11.473 1.00 63.22 C ATOM 0 H PHE A 580 6.299 -50.090 -10.780 1.00 63.02 H new ATOM 0 HA PHE A 580 9.151 -49.518 -10.993 1.00 24.43 H new ATOM 0 HB2 PHE A 580 8.715 -47.104 -10.470 1.00 41.43 H new ATOM 0 HB3 PHE A 580 8.611 -47.609 -12.145 1.00 41.43 H new ATOM 0 HD1 PHE A 580 6.493 -46.890 -9.128 1.00 31.01 H new ATOM 0 HD2 PHE A 580 6.704 -47.225 -13.404 1.00 54.22 H new ATOM 0 HE1 PHE A 580 4.179 -45.977 -9.315 1.00 70.52 H new ATOM 0 HE2 PHE A 580 4.427 -46.301 -13.599 1.00 73.51 H new ATOM 0 HZ PHE A 580 3.160 -45.661 -11.563 1.00 63.22 H new ATOM 782 N GLU A 581 8.796 -48.903 -8.448 1.00 63.53 N ATOM 783 CA GLU A 581 8.623 -48.976 -7.011 1.00 71.31 C ATOM 784 C GLU A 581 7.950 -47.724 -6.448 1.00 3.02 C ATOM 785 O GLU A 581 8.129 -46.617 -6.977 1.00 1.14 O ATOM 786 CB GLU A 581 9.966 -49.209 -6.339 1.00 75.33 C ATOM 787 CG GLU A 581 10.528 -50.592 -6.652 1.00 25.43 C ATOM 788 CD GLU A 581 11.892 -50.829 -5.993 1.00 43.34 C ATOM 789 OE1 GLU A 581 12.396 -49.914 -5.298 1.00 3.21 O ATOM 790 OE2 GLU A 581 12.495 -51.899 -6.228 1.00 64.54 O ATOM 0 H GLU A 581 9.701 -48.542 -8.749 1.00 63.53 H new ATOM 0 HA GLU A 581 7.962 -49.816 -6.798 1.00 71.31 H new ATOM 0 HB2 GLU A 581 10.673 -48.447 -6.668 1.00 75.33 H new ATOM 0 HB3 GLU A 581 9.856 -49.098 -5.260 1.00 75.33 H new ATOM 0 HG2 GLU A 581 9.825 -51.353 -6.312 1.00 25.43 H new ATOM 0 HG3 GLU A 581 10.624 -50.707 -7.732 1.00 25.43 H new ATOM 797 N ASP A 582 7.205 -47.900 -5.358 1.00 21.13 N ATOM 798 CA ASP A 582 6.573 -46.788 -4.633 1.00 2.30 C ATOM 799 C ASP A 582 7.650 -45.939 -3.974 1.00 64.23 C ATOM 800 O ASP A 582 8.055 -46.170 -2.833 1.00 1.33 O ATOM 801 CB ASP A 582 5.643 -47.279 -3.522 1.00 32.13 C ATOM 802 CG ASP A 582 4.299 -47.751 -4.033 1.00 2.01 C ATOM 803 OD1 ASP A 582 3.965 -47.489 -5.203 1.00 53.32 O ATOM 804 OD2 ASP A 582 3.553 -48.366 -3.237 1.00 11.12 O ATOM 0 H ASP A 582 7.020 -48.816 -4.949 1.00 21.13 H new ATOM 0 HA ASP A 582 5.994 -46.220 -5.361 1.00 2.30 H new ATOM 0 HB2 ASP A 582 6.127 -48.095 -2.986 1.00 32.13 H new ATOM 0 HB3 ASP A 582 5.489 -46.473 -2.804 1.00 32.13 H new ATOM 809 N ALA A 583 8.140 -44.969 -4.715 1.00 61.33 N ATOM 810 CA ALA A 583 9.250 -44.157 -4.269 1.00 61.14 C ATOM 811 C ALA A 583 8.786 -42.843 -3.655 1.00 4.51 C ATOM 812 O ALA A 583 8.396 -41.903 -4.350 1.00 71.41 O ATOM 813 CB ALA A 583 10.210 -43.919 -5.401 1.00 61.31 C ATOM 0 H ALA A 583 7.783 -44.722 -5.638 1.00 61.33 H new ATOM 0 HA ALA A 583 9.768 -44.706 -3.483 1.00 61.14 H new ATOM 0 HB1 ALA A 583 11.041 -43.306 -5.051 1.00 61.31 H new ATOM 0 HB2 ALA A 583 10.591 -44.874 -5.762 1.00 61.31 H new ATOM 0 HB3 ALA A 583 9.696 -43.404 -6.212 1.00 61.31 H new ATOM 819 N TYR A 584 8.844 -42.773 -2.341 1.00 1.43 N ATOM 820 CA TYR A 584 8.470 -41.565 -1.624 1.00 60.50 C ATOM 821 C TYR A 584 9.481 -41.290 -0.535 1.00 24.33 C ATOM 822 O TYR A 584 10.032 -42.210 0.066 1.00 33.21 O ATOM 823 CB TYR A 584 7.068 -41.716 -1.029 1.00 73.24 C ATOM 824 CG TYR A 584 6.876 -42.976 -0.213 1.00 41.23 C ATOM 825 CD1 TYR A 584 6.445 -44.169 -0.828 1.00 70.21 C ATOM 826 CD2 TYR A 584 7.125 -42.988 1.176 1.00 23.22 C ATOM 827 CE1 TYR A 584 6.276 -45.357 -0.078 1.00 53.02 C ATOM 828 CE2 TYR A 584 6.952 -44.180 1.933 1.00 54.30 C ATOM 829 CZ TYR A 584 6.530 -45.353 1.293 1.00 2.12 C ATOM 830 OH TYR A 584 6.368 -46.502 2.026 1.00 63.42 O ATOM 0 H TYR A 584 9.148 -43.541 -1.743 1.00 1.43 H new ATOM 0 HA TYR A 584 8.458 -40.724 -2.317 1.00 60.50 H new ATOM 0 HB2 TYR A 584 6.857 -40.852 -0.399 1.00 73.24 H new ATOM 0 HB3 TYR A 584 6.338 -41.705 -1.839 1.00 73.24 H new ATOM 0 HD1 TYR A 584 6.241 -44.176 -1.888 1.00 70.21 H new ATOM 0 HD2 TYR A 584 7.450 -42.084 1.669 1.00 23.22 H new ATOM 0 HE1 TYR A 584 5.951 -46.264 -0.566 1.00 53.02 H new ATOM 0 HE2 TYR A 584 7.145 -44.181 2.996 1.00 54.30 H new ATOM 0 HH TYR A 584 6.588 -46.325 2.964 1.00 63.42 H new ATOM 840 N GLY A 585 9.739 -40.021 -0.280 1.00 20.02 N ATOM 841 CA GLY A 585 10.665 -39.664 0.775 1.00 52.34 C ATOM 842 C GLY A 585 10.673 -38.173 0.940 1.00 20.44 C ATOM 843 O GLY A 585 9.893 -37.485 0.290 1.00 74.33 O ATOM 0 H GLY A 585 9.328 -39.233 -0.780 1.00 20.02 H new ATOM 0 HA2 GLY A 585 10.373 -40.144 1.709 1.00 52.34 H new ATOM 0 HA3 GLY A 585 11.666 -40.021 0.533 1.00 52.34 H new ATOM 847 N GLU A 586 11.564 -37.668 1.777 1.00 32.14 N ATOM 848 CA GLU A 586 11.724 -36.231 1.947 1.00 13.13 C ATOM 849 C GLU A 586 13.114 -35.832 1.543 1.00 42.44 C ATOM 850 O GLU A 586 14.073 -36.587 1.696 1.00 30.43 O ATOM 851 CB GLU A 586 11.471 -35.788 3.384 1.00 65.30 C ATOM 852 CG GLU A 586 10.002 -35.722 3.712 1.00 42.03 C ATOM 853 CD GLU A 586 9.679 -34.812 4.877 1.00 53.43 C ATOM 854 OE1 GLU A 586 10.317 -34.890 5.941 1.00 1.12 O ATOM 855 OE2 GLU A 586 8.735 -34.003 4.721 1.00 51.22 O ATOM 0 H GLU A 586 12.190 -38.233 2.351 1.00 32.14 H new ATOM 0 HA GLU A 586 10.985 -35.741 1.314 1.00 13.13 H new ATOM 0 HB2 GLU A 586 11.963 -36.480 4.067 1.00 65.30 H new ATOM 0 HB3 GLU A 586 11.921 -34.808 3.544 1.00 65.30 H new ATOM 0 HG2 GLU A 586 9.457 -35.379 2.832 1.00 42.03 H new ATOM 0 HG3 GLU A 586 9.643 -36.727 3.937 1.00 42.03 H new ATOM 862 N LEU A 587 13.206 -34.631 1.008 1.00 64.03 N ATOM 863 CA LEU A 587 14.449 -34.091 0.514 1.00 32.10 C ATOM 864 C LEU A 587 14.828 -32.894 1.346 1.00 22.35 C ATOM 865 O LEU A 587 14.060 -31.944 1.452 1.00 52.10 O ATOM 866 CB LEU A 587 14.253 -33.627 -0.924 1.00 41.12 C ATOM 867 CG LEU A 587 13.763 -34.665 -1.932 1.00 34.21 C ATOM 868 CD1 LEU A 587 13.212 -33.939 -3.127 1.00 62.24 C ATOM 869 CD2 LEU A 587 14.853 -35.609 -2.371 1.00 24.02 C ATOM 0 H LEU A 587 12.411 -34.000 0.905 1.00 64.03 H new ATOM 0 HA LEU A 587 15.226 -34.854 0.565 1.00 32.10 H new ATOM 0 HB2 LEU A 587 13.543 -32.800 -0.918 1.00 41.12 H new ATOM 0 HB3 LEU A 587 15.202 -33.229 -1.283 1.00 41.12 H new ATOM 0 HG LEU A 587 12.997 -35.272 -1.449 1.00 34.21 H new ATOM 0 HD11 LEU A 587 12.856 -34.663 -3.860 1.00 62.24 H new ATOM 0 HD12 LEU A 587 12.385 -33.301 -2.816 1.00 62.24 H new ATOM 0 HD13 LEU A 587 13.995 -33.326 -3.573 1.00 62.24 H new ATOM 0 HD21 LEU A 587 14.448 -36.325 -3.087 1.00 24.02 H new ATOM 0 HD22 LEU A 587 15.658 -35.043 -2.840 1.00 24.02 H new ATOM 0 HD23 LEU A 587 15.242 -36.143 -1.504 1.00 24.02 H new ATOM 881 N GLU A 588 16.012 -32.921 1.922 1.00 34.13 N ATOM 882 CA GLU A 588 16.515 -31.770 2.648 1.00 33.22 C ATOM 883 C GLU A 588 17.112 -30.808 1.634 1.00 70.51 C ATOM 884 O GLU A 588 17.973 -31.183 0.841 1.00 22.25 O ATOM 885 CB GLU A 588 17.592 -32.182 3.654 1.00 65.54 C ATOM 886 CG GLU A 588 18.044 -31.028 4.546 1.00 1.32 C ATOM 887 CD GLU A 588 19.224 -31.387 5.434 1.00 22.15 C ATOM 888 OE1 GLU A 588 20.025 -32.272 5.057 1.00 3.41 O ATOM 889 OE2 GLU A 588 19.423 -30.698 6.451 1.00 21.52 O ATOM 0 H GLU A 588 16.643 -33.723 1.903 1.00 34.13 H new ATOM 0 HA GLU A 588 15.701 -31.303 3.202 1.00 33.22 H new ATOM 0 HB2 GLU A 588 17.209 -32.989 4.279 1.00 65.54 H new ATOM 0 HB3 GLU A 588 18.453 -32.577 3.115 1.00 65.54 H new ATOM 0 HG2 GLU A 588 18.314 -30.177 3.920 1.00 1.32 H new ATOM 0 HG3 GLU A 588 17.209 -30.712 5.172 1.00 1.32 H new ATOM 896 N PHE A 589 16.672 -29.566 1.683 1.00 62.01 N ATOM 897 CA PHE A 589 17.258 -28.497 0.886 1.00 23.21 C ATOM 898 C PHE A 589 17.845 -27.534 1.912 1.00 43.21 C ATOM 899 O PHE A 589 17.120 -26.955 2.716 1.00 13.43 O ATOM 900 CB PHE A 589 16.184 -27.785 0.057 1.00 32.44 C ATOM 901 CG PHE A 589 15.609 -28.621 -1.066 1.00 40.25 C ATOM 902 CD1 PHE A 589 14.585 -29.557 -0.837 1.00 73.12 C ATOM 903 CD2 PHE A 589 16.068 -28.437 -2.381 1.00 61.03 C ATOM 904 CE1 PHE A 589 14.020 -30.283 -1.910 1.00 52.31 C ATOM 905 CE2 PHE A 589 15.499 -29.147 -3.456 1.00 60.35 C ATOM 906 CZ PHE A 589 14.472 -30.072 -3.214 1.00 61.44 C ATOM 0 H PHE A 589 15.898 -29.266 2.276 1.00 62.01 H new ATOM 0 HA PHE A 589 18.002 -28.872 0.183 1.00 23.21 H new ATOM 0 HB2 PHE A 589 15.374 -27.480 0.719 1.00 32.44 H new ATOM 0 HB3 PHE A 589 16.611 -26.875 -0.365 1.00 32.44 H new ATOM 0 HD1 PHE A 589 14.227 -29.723 0.168 1.00 73.12 H new ATOM 0 HD2 PHE A 589 16.870 -27.740 -2.571 1.00 61.03 H new ATOM 0 HE1 PHE A 589 13.237 -31.002 -1.721 1.00 52.31 H new ATOM 0 HE2 PHE A 589 15.852 -28.980 -4.463 1.00 60.35 H new ATOM 0 HZ PHE A 589 14.032 -30.619 -4.035 1.00 61.44 H new ATOM 916 N LYS A 590 19.155 -27.365 1.888 1.00 73.22 N ATOM 917 CA LYS A 590 19.868 -26.603 2.918 1.00 63.32 C ATOM 918 C LYS A 590 20.637 -25.447 2.296 1.00 30.33 C ATOM 919 O LYS A 590 21.708 -25.651 1.746 1.00 54.52 O ATOM 920 CB LYS A 590 20.822 -27.570 3.623 1.00 41.35 C ATOM 921 CG LYS A 590 21.526 -27.030 4.855 1.00 61.44 C ATOM 922 CD LYS A 590 22.717 -27.927 5.270 1.00 32.33 C ATOM 923 CE LYS A 590 22.295 -29.341 5.735 1.00 42.42 C ATOM 924 NZ LYS A 590 22.101 -30.329 4.605 1.00 74.45 N ATOM 0 H LYS A 590 19.759 -27.747 1.161 1.00 73.22 H new ATOM 0 HA LYS A 590 19.164 -26.174 3.631 1.00 63.32 H new ATOM 0 HB2 LYS A 590 20.260 -28.459 3.910 1.00 41.35 H new ATOM 0 HB3 LYS A 590 21.579 -27.889 2.907 1.00 41.35 H new ATOM 0 HG2 LYS A 590 21.883 -26.019 4.657 1.00 61.44 H new ATOM 0 HG3 LYS A 590 20.816 -26.962 5.680 1.00 61.44 H new ATOM 0 HD2 LYS A 590 23.402 -28.020 4.427 1.00 32.33 H new ATOM 0 HD3 LYS A 590 23.266 -27.438 6.074 1.00 32.33 H new ATOM 0 HE2 LYS A 590 23.052 -29.729 6.417 1.00 42.42 H new ATOM 0 HE3 LYS A 590 21.366 -29.264 6.300 1.00 42.42 H new ATOM 0 HZ1 LYS A 590 22.240 -31.296 4.962 1.00 74.45 H new ATOM 0 HZ2 LYS A 590 21.138 -30.236 4.224 1.00 74.45 H new ATOM 0 HZ3 LYS A 590 22.791 -30.135 3.852 1.00 74.45 H new ATOM 938 N ASN A 591 20.058 -24.253 2.376 1.00 1.25 N ATOM 939 CA ASN A 591 20.595 -23.001 1.816 1.00 11.35 C ATOM 940 C ASN A 591 21.159 -23.025 0.376 1.00 4.25 C ATOM 941 O ASN A 591 20.515 -22.504 -0.518 1.00 42.21 O ATOM 942 CB ASN A 591 21.615 -22.400 2.788 1.00 14.24 C ATOM 943 CG ASN A 591 22.048 -21.005 2.390 1.00 34.34 C ATOM 944 OD1 ASN A 591 21.116 -20.203 1.940 1.00 40.15 O flip ATOM 945 ND2 ASN A 591 23.202 -20.656 2.503 1.00 42.31 N flip ATOM 0 H ASN A 591 19.165 -24.118 2.850 1.00 1.25 H new ATOM 0 HA ASN A 591 19.711 -22.373 1.705 1.00 11.35 H new ATOM 0 HB2 ASN A 591 21.184 -22.371 3.789 1.00 14.24 H new ATOM 0 HB3 ASN A 591 22.490 -23.048 2.837 1.00 14.24 H new ATOM 0 HD21 ASN A 591 23.900 -21.310 2.858 1.00 42.31 H new ATOM 0 HD22 ASN A 591 23.476 -19.708 2.244 1.00 42.31 H new ATOM 952 N ASP A 592 22.358 -23.556 0.177 1.00 31.35 N ATOM 953 CA ASP A 592 22.977 -23.679 -1.157 1.00 54.12 C ATOM 954 C ASP A 592 22.496 -24.915 -1.950 1.00 4.34 C ATOM 955 O ASP A 592 22.378 -24.877 -3.170 1.00 64.44 O ATOM 956 CB ASP A 592 24.494 -23.742 -1.014 1.00 62.10 C ATOM 957 CG ASP A 592 25.207 -23.479 -2.329 1.00 22.12 C ATOM 958 OD1 ASP A 592 24.808 -22.533 -3.043 1.00 54.23 O ATOM 959 OD2 ASP A 592 26.184 -24.193 -2.630 1.00 34.51 O ATOM 0 H ASP A 592 22.939 -23.918 0.933 1.00 31.35 H new ATOM 0 HA ASP A 592 22.670 -22.798 -1.720 1.00 54.12 H new ATOM 0 HB2 ASP A 592 24.818 -23.010 -0.275 1.00 62.10 H new ATOM 0 HB3 ASP A 592 24.781 -24.724 -0.637 1.00 62.10 H new ATOM 964 N GLU A 593 22.205 -25.990 -1.221 1.00 32.31 N ATOM 965 CA GLU A 593 21.755 -27.328 -1.721 1.00 64.15 C ATOM 966 C GLU A 593 20.473 -27.387 -2.557 1.00 5.04 C ATOM 967 O GLU A 593 19.792 -28.406 -2.612 1.00 75.23 O ATOM 968 CB GLU A 593 21.632 -28.332 -0.577 1.00 10.23 C ATOM 969 CG GLU A 593 22.900 -28.563 0.229 1.00 32.13 C ATOM 970 CD GLU A 593 22.680 -29.612 1.311 1.00 35.33 C ATOM 971 OE1 GLU A 593 21.601 -30.253 1.304 1.00 32.01 O ATOM 972 OE2 GLU A 593 23.543 -29.763 2.202 1.00 55.31 O ATOM 0 H GLU A 593 22.275 -25.971 -0.204 1.00 32.31 H new ATOM 0 HA GLU A 593 22.554 -27.584 -2.417 1.00 64.15 H new ATOM 0 HB2 GLU A 593 20.849 -27.991 0.100 1.00 10.23 H new ATOM 0 HB3 GLU A 593 21.304 -29.287 -0.988 1.00 10.23 H new ATOM 0 HG2 GLU A 593 23.703 -28.884 -0.435 1.00 32.13 H new ATOM 0 HG3 GLU A 593 23.219 -27.626 0.686 1.00 32.13 H new ATOM 979 N THR A 594 20.062 -26.245 -3.051 1.00 5.44 N ATOM 980 CA THR A 594 18.791 -26.039 -3.707 1.00 71.25 C ATOM 981 C THR A 594 18.711 -26.658 -5.096 1.00 40.01 C ATOM 982 O THR A 594 17.750 -26.433 -5.833 1.00 33.42 O ATOM 983 CB THR A 594 18.599 -24.562 -3.841 1.00 45.22 C ATOM 984 OG1 THR A 594 19.638 -23.996 -4.649 1.00 12.32 O ATOM 985 CG2 THR A 594 18.663 -23.930 -2.473 1.00 75.41 C ATOM 0 H THR A 594 20.627 -25.397 -3.006 1.00 5.44 H new ATOM 0 HA THR A 594 18.022 -26.522 -3.104 1.00 71.25 H new ATOM 0 HB THR A 594 17.632 -24.375 -4.308 1.00 45.22 H new ATOM 0 HG1 THR A 594 19.806 -23.073 -4.366 1.00 12.32 H new ATOM 0 HG21 THR A 594 18.524 -22.853 -2.563 1.00 75.41 H new ATOM 0 HG22 THR A 594 17.877 -24.346 -1.843 1.00 75.41 H new ATOM 0 HG23 THR A 594 19.635 -24.134 -2.023 1.00 75.41 H new ATOM 993 N VAL A 595 19.678 -27.513 -5.389 1.00 14.51 N ATOM 994 CA VAL A 595 19.647 -28.366 -6.564 1.00 10.12 C ATOM 995 C VAL A 595 19.610 -29.770 -5.979 1.00 55.54 C ATOM 996 O VAL A 595 20.506 -30.155 -5.226 1.00 72.14 O ATOM 997 CB VAL A 595 20.908 -28.187 -7.452 1.00 33.31 C ATOM 998 CG1 VAL A 595 20.643 -28.725 -8.864 1.00 21.43 C ATOM 999 CG2 VAL A 595 21.325 -26.702 -7.507 1.00 11.25 C ATOM 0 H VAL A 595 20.511 -27.635 -4.814 1.00 14.51 H new ATOM 0 HA VAL A 595 18.802 -28.136 -7.213 1.00 10.12 H new ATOM 0 HB VAL A 595 21.727 -28.756 -7.012 1.00 33.31 H new ATOM 0 HG11 VAL A 595 21.535 -28.594 -9.477 1.00 21.43 H new ATOM 0 HG12 VAL A 595 20.394 -29.785 -8.809 1.00 21.43 H new ATOM 0 HG13 VAL A 595 19.812 -28.180 -9.311 1.00 21.43 H new ATOM 0 HG21 VAL A 595 22.210 -26.596 -8.134 1.00 11.25 H new ATOM 0 HG22 VAL A 595 20.511 -26.111 -7.926 1.00 11.25 H new ATOM 0 HG23 VAL A 595 21.549 -26.349 -6.500 1.00 11.25 H new ATOM 1009 N LYS A 596 18.535 -30.494 -6.237 1.00 32.55 N ATOM 1010 CA LYS A 596 18.339 -31.806 -5.620 1.00 31.21 C ATOM 1011 C LYS A 596 17.664 -32.708 -6.617 1.00 52.45 C ATOM 1012 O LYS A 596 17.287 -32.245 -7.679 1.00 52.00 O ATOM 1013 CB LYS A 596 17.473 -31.639 -4.367 1.00 71.35 C ATOM 1014 CG LYS A 596 17.567 -32.762 -3.331 1.00 42.13 C ATOM 1015 CD LYS A 596 18.968 -32.939 -2.751 1.00 31.33 C ATOM 1016 CE LYS A 596 19.397 -31.694 -1.959 1.00 13.34 C ATOM 1017 NZ LYS A 596 20.341 -31.977 -0.814 1.00 34.22 N ATOM 0 H LYS A 596 17.785 -30.203 -6.865 1.00 32.55 H new ATOM 0 HA LYS A 596 19.293 -32.246 -5.331 1.00 31.21 H new ATOM 0 HB2 LYS A 596 17.746 -30.701 -3.883 1.00 71.35 H new ATOM 0 HB3 LYS A 596 16.433 -31.545 -4.679 1.00 71.35 H new ATOM 0 HG2 LYS A 596 16.870 -32.556 -2.519 1.00 42.13 H new ATOM 0 HG3 LYS A 596 17.252 -33.698 -3.792 1.00 42.13 H new ATOM 0 HD2 LYS A 596 18.988 -33.813 -2.100 1.00 31.33 H new ATOM 0 HD3 LYS A 596 19.678 -33.125 -3.557 1.00 31.33 H new ATOM 0 HE2 LYS A 596 19.874 -30.991 -2.642 1.00 13.34 H new ATOM 0 HE3 LYS A 596 18.506 -31.203 -1.567 1.00 13.34 H new ATOM 0 HZ1 LYS A 596 19.886 -31.714 0.084 1.00 34.22 H new ATOM 0 HZ2 LYS A 596 20.576 -32.990 -0.800 1.00 34.22 H new ATOM 0 HZ3 LYS A 596 21.212 -31.422 -0.937 1.00 34.22 H new ATOM 1031 N THR A 597 17.515 -33.980 -6.299 1.00 53.41 N ATOM 1032 CA THR A 597 16.930 -34.927 -7.220 1.00 43.10 C ATOM 1033 C THR A 597 16.026 -35.934 -6.523 1.00 43.13 C ATOM 1034 O THR A 597 16.157 -36.165 -5.322 1.00 42.11 O ATOM 1035 CB THR A 597 18.065 -35.705 -7.863 1.00 13.14 C ATOM 1036 OG1 THR A 597 19.288 -35.407 -7.182 1.00 22.15 O ATOM 1037 CG2 THR A 597 18.252 -35.366 -9.340 1.00 45.35 C ATOM 0 H THR A 597 17.794 -34.380 -5.403 1.00 53.41 H new ATOM 0 HA THR A 597 16.331 -34.371 -7.941 1.00 43.10 H new ATOM 0 HB THR A 597 17.807 -36.761 -7.787 1.00 13.14 H new ATOM 0 HG1 THR A 597 20.022 -35.909 -7.594 1.00 22.15 H new ATOM 0 HG21 THR A 597 19.077 -35.952 -9.746 1.00 45.35 H new ATOM 0 HG22 THR A 597 17.338 -35.599 -9.885 1.00 45.35 H new ATOM 0 HG23 THR A 597 18.476 -34.304 -9.444 1.00 45.35 H new ATOM 1045 N ILE A 598 15.130 -36.536 -7.292 1.00 53.15 N ATOM 1046 CA ILE A 598 14.236 -37.596 -6.811 1.00 33.01 C ATOM 1047 C ILE A 598 14.491 -38.805 -7.657 1.00 71.33 C ATOM 1048 O ILE A 598 14.470 -38.702 -8.866 1.00 20.25 O ATOM 1049 CB ILE A 598 12.742 -37.228 -6.976 1.00 1.11 C ATOM 1050 CG1 ILE A 598 12.403 -36.142 -5.958 1.00 45.21 C ATOM 1051 CG2 ILE A 598 11.836 -38.497 -6.811 1.00 50.12 C ATOM 1052 CD1 ILE A 598 11.069 -35.475 -6.136 1.00 1.13 C ATOM 0 H ILE A 598 14.997 -36.305 -8.277 1.00 53.15 H new ATOM 0 HA ILE A 598 14.433 -37.758 -5.751 1.00 33.01 H new ATOM 0 HB ILE A 598 12.553 -36.845 -7.979 1.00 1.11 H new ATOM 0 HG12 ILE A 598 12.439 -36.581 -4.961 1.00 45.21 H new ATOM 0 HG13 ILE A 598 13.179 -35.377 -5.998 1.00 45.21 H new ATOM 0 HG21 ILE A 598 10.790 -38.215 -6.931 1.00 50.12 H new ATOM 0 HG22 ILE A 598 12.102 -39.235 -7.568 1.00 50.12 H new ATOM 0 HG23 ILE A 598 11.985 -38.924 -5.819 1.00 50.12 H new ATOM 0 HD11 ILE A 598 10.932 -34.722 -5.360 1.00 1.13 H new ATOM 0 HD12 ILE A 598 11.028 -34.998 -7.115 1.00 1.13 H new ATOM 0 HD13 ILE A 598 10.277 -36.220 -6.062 1.00 1.13 H new ATOM 1064 N ARG A 599 14.696 -39.942 -7.014 1.00 41.32 N ATOM 1065 CA ARG A 599 14.937 -41.213 -7.708 1.00 64.33 C ATOM 1066 C ARG A 599 13.771 -42.165 -7.552 1.00 42.12 C ATOM 1067 O ARG A 599 13.245 -42.322 -6.453 1.00 55.32 O ATOM 1068 CB ARG A 599 16.194 -41.897 -7.166 1.00 13.54 C ATOM 1069 CG ARG A 599 17.468 -41.286 -7.696 1.00 53.23 C ATOM 1070 CD ARG A 599 18.706 -42.058 -7.291 1.00 4.41 C ATOM 1071 NE ARG A 599 18.930 -42.039 -5.837 1.00 51.13 N ATOM 1072 CZ ARG A 599 19.910 -42.678 -5.212 1.00 22.25 C ATOM 1073 NH1 ARG A 599 20.799 -43.395 -5.856 1.00 23.14 N ATOM 1074 NH2 ARG A 599 19.997 -42.593 -3.913 1.00 20.11 N ATOM 0 H ARG A 599 14.702 -40.019 -5.997 1.00 41.32 H new ATOM 0 HA ARG A 599 15.066 -40.974 -8.764 1.00 64.33 H new ATOM 0 HB2 ARG A 599 16.194 -41.838 -6.078 1.00 13.54 H new ATOM 0 HB3 ARG A 599 16.168 -42.955 -7.428 1.00 13.54 H new ATOM 0 HG2 ARG A 599 17.416 -41.237 -8.784 1.00 53.23 H new ATOM 0 HG3 ARG A 599 17.551 -40.261 -7.335 1.00 53.23 H new ATOM 0 HD2 ARG A 599 18.613 -43.090 -7.628 1.00 4.41 H new ATOM 0 HD3 ARG A 599 19.575 -41.635 -7.795 1.00 4.41 H new ATOM 0 HE ARG A 599 18.283 -41.494 -5.267 1.00 51.13 H new ATOM 0 HH11 ARG A 599 20.751 -43.475 -6.872 1.00 23.14 H new ATOM 0 HH12 ARG A 599 21.539 -43.873 -5.341 1.00 23.14 H new ATOM 0 HH21 ARG A 599 19.317 -42.040 -3.391 1.00 20.11 H new ATOM 0 HH22 ARG A 599 20.745 -43.079 -3.419 1.00 20.11 H new ATOM 1088 N VAL A 600 13.409 -42.824 -8.645 1.00 50.31 N ATOM 1089 CA VAL A 600 12.351 -43.848 -8.647 1.00 2.14 C ATOM 1090 C VAL A 600 12.874 -45.048 -9.439 1.00 21.01 C ATOM 1091 O VAL A 600 13.319 -44.890 -10.573 1.00 33.32 O ATOM 1092 CB VAL A 600 11.025 -43.305 -9.289 1.00 54.15 C ATOM 1093 CG1 VAL A 600 9.948 -44.355 -9.287 1.00 64.11 C ATOM 1094 CG2 VAL A 600 10.570 -42.019 -8.586 1.00 43.25 C ATOM 0 H VAL A 600 13.835 -42.670 -9.559 1.00 50.31 H new ATOM 0 HA VAL A 600 12.112 -44.133 -7.622 1.00 2.14 H new ATOM 0 HB VAL A 600 11.227 -43.058 -10.331 1.00 54.15 H new ATOM 0 HG11 VAL A 600 9.043 -43.948 -9.738 1.00 64.11 H new ATOM 0 HG12 VAL A 600 10.282 -45.220 -9.860 1.00 64.11 H new ATOM 0 HG13 VAL A 600 9.738 -44.659 -8.261 1.00 64.11 H new ATOM 0 HG21 VAL A 600 9.650 -41.659 -9.046 1.00 43.25 H new ATOM 0 HG22 VAL A 600 10.392 -42.225 -7.531 1.00 43.25 H new ATOM 0 HG23 VAL A 600 11.345 -41.258 -8.682 1.00 43.25 H new ATOM 1104 N LYS A 601 12.880 -46.228 -8.828 1.00 20.01 N ATOM 1105 CA LYS A 601 13.399 -47.438 -9.481 1.00 63.22 C ATOM 1106 C LYS A 601 12.320 -47.988 -10.407 1.00 64.42 C ATOM 1107 O LYS A 601 11.180 -48.135 -9.981 1.00 73.34 O ATOM 1108 CB LYS A 601 13.785 -48.485 -8.416 1.00 65.40 C ATOM 1109 CG LYS A 601 14.729 -49.599 -8.913 1.00 54.25 C ATOM 1110 CD LYS A 601 13.989 -50.821 -9.460 1.00 50.42 C ATOM 1111 CE LYS A 601 14.964 -51.777 -10.164 1.00 23.44 C ATOM 1112 NZ LYS A 601 14.240 -52.818 -10.964 1.00 23.52 N ATOM 0 H LYS A 601 12.532 -46.379 -7.881 1.00 20.01 H new ATOM 0 HA LYS A 601 14.291 -47.200 -10.061 1.00 63.22 H new ATOM 0 HB2 LYS A 601 14.260 -47.973 -7.579 1.00 65.40 H new ATOM 0 HB3 LYS A 601 12.874 -48.945 -8.033 1.00 65.40 H new ATOM 0 HG2 LYS A 601 15.376 -49.196 -9.692 1.00 54.25 H new ATOM 0 HG3 LYS A 601 15.375 -49.911 -8.092 1.00 54.25 H new ATOM 0 HD2 LYS A 601 13.486 -51.342 -8.646 1.00 50.42 H new ATOM 0 HD3 LYS A 601 13.217 -50.501 -10.160 1.00 50.42 H new ATOM 0 HE2 LYS A 601 15.623 -51.207 -10.820 1.00 23.44 H new ATOM 0 HE3 LYS A 601 15.596 -52.263 -9.421 1.00 23.44 H new ATOM 0 HZ1 LYS A 601 14.902 -53.576 -11.227 1.00 23.52 H new ATOM 0 HZ2 LYS A 601 13.465 -53.216 -10.396 1.00 23.52 H new ATOM 0 HZ3 LYS A 601 13.850 -52.385 -11.825 1.00 23.52 H new ATOM 1126 N ILE A 602 12.674 -48.281 -11.649 1.00 62.32 N ATOM 1127 CA ILE A 602 11.727 -48.838 -12.622 1.00 33.20 C ATOM 1128 C ILE A 602 11.952 -50.342 -12.612 1.00 44.11 C ATOM 1129 O ILE A 602 13.093 -50.798 -12.648 1.00 64.33 O ATOM 1130 CB ILE A 602 11.934 -48.268 -14.062 1.00 2.01 C ATOM 1131 CG1 ILE A 602 12.129 -46.729 -14.022 1.00 65.43 C ATOM 1132 CG2 ILE A 602 10.721 -48.653 -14.960 1.00 12.22 C ATOM 1133 CD1 ILE A 602 10.949 -45.933 -13.450 1.00 12.21 C ATOM 0 H ILE A 602 13.616 -48.143 -12.016 1.00 62.32 H new ATOM 0 HA ILE A 602 10.708 -48.569 -12.345 1.00 33.20 H new ATOM 0 HB ILE A 602 12.837 -48.705 -14.488 1.00 2.01 H new ATOM 0 HG12 ILE A 602 13.017 -46.507 -13.430 1.00 65.43 H new ATOM 0 HG13 ILE A 602 12.326 -46.378 -15.035 1.00 65.43 H new ATOM 0 HG21 ILE A 602 10.870 -48.253 -15.963 1.00 12.22 H new ATOM 0 HG22 ILE A 602 10.636 -49.738 -15.011 1.00 12.22 H new ATOM 0 HG23 ILE A 602 9.807 -48.237 -14.535 1.00 12.22 H new ATOM 0 HD11 ILE A 602 11.186 -44.869 -13.466 1.00 12.21 H new ATOM 0 HD12 ILE A 602 10.060 -46.116 -14.053 1.00 12.21 H new ATOM 0 HD13 ILE A 602 10.762 -46.247 -12.423 1.00 12.21 H new ATOM 1145 N VAL A 603 10.884 -51.100 -12.454 1.00 15.01 N ATOM 1146 CA VAL A 603 10.965 -52.552 -12.291 1.00 73.10 C ATOM 1147 C VAL A 603 11.092 -53.222 -13.665 1.00 45.22 C ATOM 1148 O VAL A 603 10.538 -52.748 -14.646 1.00 54.31 O ATOM 1149 CB VAL A 603 9.730 -53.047 -11.498 1.00 10.12 C ATOM 1150 CG1 VAL A 603 9.686 -54.573 -11.391 1.00 52.21 C ATOM 1151 CG2 VAL A 603 9.754 -52.449 -10.070 1.00 51.43 C ATOM 0 H VAL A 603 9.932 -50.733 -12.434 1.00 15.01 H new ATOM 0 HA VAL A 603 11.853 -52.824 -11.720 1.00 73.10 H new ATOM 0 HB VAL A 603 8.844 -52.718 -12.041 1.00 10.12 H new ATOM 0 HG11 VAL A 603 8.803 -54.873 -10.827 1.00 52.21 H new ATOM 0 HG12 VAL A 603 9.643 -55.007 -12.390 1.00 52.21 H new ATOM 0 HG13 VAL A 603 10.581 -54.928 -10.880 1.00 52.21 H new ATOM 0 HG21 VAL A 603 8.884 -52.799 -9.514 1.00 51.43 H new ATOM 0 HG22 VAL A 603 10.663 -52.766 -9.558 1.00 51.43 H new ATOM 0 HG23 VAL A 603 9.732 -51.361 -10.131 1.00 51.43 H new ATOM 1295 N GLU A 612 2.913 -47.049 -20.645 1.00 62.14 N ATOM 1296 CA GLU A 612 2.434 -46.724 -19.297 1.00 20.13 C ATOM 1297 C GLU A 612 2.915 -45.310 -18.946 1.00 40.01 C ATOM 1298 O GLU A 612 3.849 -44.790 -19.568 1.00 12.12 O ATOM 1299 CB GLU A 612 2.927 -47.753 -18.269 1.00 72.52 C ATOM 1300 CG GLU A 612 2.232 -49.130 -18.390 1.00 60.32 C ATOM 1301 CD GLU A 612 0.823 -49.163 -17.766 1.00 64.41 C ATOM 1302 OE1 GLU A 612 -0.063 -48.396 -18.214 1.00 71.22 O ATOM 1303 OE2 GLU A 612 0.591 -49.989 -16.855 1.00 22.43 O ATOM 0 HA GLU A 612 1.345 -46.758 -19.274 1.00 20.13 H new ATOM 0 HB2 GLU A 612 4.002 -47.886 -18.387 1.00 72.52 H new ATOM 0 HB3 GLU A 612 2.763 -47.359 -17.266 1.00 72.52 H new ATOM 0 HG2 GLU A 612 2.161 -49.401 -19.443 1.00 60.32 H new ATOM 0 HG3 GLU A 612 2.852 -49.885 -17.908 1.00 60.32 H new ATOM 1310 N ASN A 613 2.252 -44.665 -17.996 1.00 74.51 N ATOM 1311 CA ASN A 613 2.546 -43.270 -17.640 1.00 33.23 C ATOM 1312 C ASN A 613 2.345 -43.036 -16.154 1.00 71.54 C ATOM 1313 O ASN A 613 1.280 -43.334 -15.600 1.00 40.43 O ATOM 1314 CB ASN A 613 1.633 -42.323 -18.410 1.00 44.22 C ATOM 1315 CG ASN A 613 1.961 -40.871 -18.147 1.00 13.54 C ATOM 1316 OD1 ASN A 613 2.763 -40.267 -18.811 1.00 62.02 O ATOM 1317 ND2 ASN A 613 1.325 -40.313 -17.182 1.00 21.20 N ATOM 0 H ASN A 613 1.499 -45.084 -17.450 1.00 74.51 H new ATOM 0 HA ASN A 613 3.587 -43.076 -17.899 1.00 33.23 H new ATOM 0 HB2 ASN A 613 1.720 -42.525 -19.477 1.00 44.22 H new ATOM 0 HB3 ASN A 613 0.597 -42.515 -18.133 1.00 44.22 H new ATOM 0 HD21 ASN A 613 1.493 -39.332 -16.960 1.00 21.20 H new ATOM 0 HD22 ASN A 613 0.651 -40.851 -16.637 1.00 21.20 H new ATOM 1324 N PHE A 614 3.329 -42.425 -15.520 1.00 50.23 N ATOM 1325 CA PHE A 614 3.242 -42.094 -14.106 1.00 31.35 C ATOM 1326 C PHE A 614 3.901 -40.755 -13.891 1.00 34.41 C ATOM 1327 O PHE A 614 4.497 -40.207 -14.801 1.00 0.44 O ATOM 1328 CB PHE A 614 3.910 -43.174 -13.253 1.00 74.22 C ATOM 1329 CG PHE A 614 5.404 -43.022 -13.119 1.00 2.40 C ATOM 1330 CD1 PHE A 614 6.280 -43.526 -14.098 1.00 35.14 C ATOM 1331 CD2 PHE A 614 5.945 -42.387 -11.983 1.00 11.13 C ATOM 1332 CE1 PHE A 614 7.684 -43.402 -13.938 1.00 61.31 C ATOM 1333 CE2 PHE A 614 7.338 -42.248 -11.821 1.00 22.44 C ATOM 1334 CZ PHE A 614 8.207 -42.761 -12.792 1.00 71.53 C ATOM 0 H PHE A 614 4.204 -42.146 -15.964 1.00 50.23 H new ATOM 0 HA PHE A 614 2.197 -42.043 -13.802 1.00 31.35 H new ATOM 0 HB2 PHE A 614 3.465 -43.162 -12.258 1.00 74.22 H new ATOM 0 HB3 PHE A 614 3.693 -44.150 -13.688 1.00 74.22 H new ATOM 0 HD1 PHE A 614 5.881 -44.010 -14.977 1.00 35.14 H new ATOM 0 HD2 PHE A 614 5.281 -42.000 -11.224 1.00 11.13 H new ATOM 0 HE1 PHE A 614 8.352 -43.796 -14.690 1.00 61.31 H new ATOM 0 HE2 PHE A 614 7.734 -41.747 -10.950 1.00 22.44 H new ATOM 0 HZ PHE A 614 9.275 -42.667 -12.665 1.00 71.53 H new ATOM 1344 N PHE A 615 3.774 -40.204 -12.701 1.00 53.33 N ATOM 1345 CA PHE A 615 4.365 -38.909 -12.409 1.00 22.12 C ATOM 1346 C PHE A 615 4.824 -38.891 -10.971 1.00 33.32 C ATOM 1347 O PHE A 615 4.520 -39.788 -10.224 1.00 64.42 O ATOM 1348 CB PHE A 615 3.365 -37.773 -12.658 1.00 4.03 C ATOM 1349 CG PHE A 615 1.931 -38.218 -12.838 1.00 51.13 C ATOM 1350 CD1 PHE A 615 1.488 -38.716 -14.073 1.00 33.42 C ATOM 1351 CD2 PHE A 615 1.002 -38.092 -11.793 1.00 34.12 C ATOM 1352 CE1 PHE A 615 0.142 -39.089 -14.269 1.00 63.41 C ATOM 1353 CE2 PHE A 615 -0.355 -38.468 -11.979 1.00 73.44 C ATOM 1354 CZ PHE A 615 -0.779 -38.971 -13.219 1.00 44.14 C ATOM 0 H PHE A 615 3.270 -40.628 -11.922 1.00 53.33 H new ATOM 0 HA PHE A 615 5.215 -38.753 -13.073 1.00 22.12 H new ATOM 0 HB2 PHE A 615 3.412 -37.077 -11.821 1.00 4.03 H new ATOM 0 HB3 PHE A 615 3.675 -37.224 -13.547 1.00 4.03 H new ATOM 0 HD1 PHE A 615 2.190 -38.815 -14.888 1.00 33.42 H new ATOM 0 HD2 PHE A 615 1.323 -37.705 -10.837 1.00 34.12 H new ATOM 0 HE1 PHE A 615 -0.179 -39.466 -15.229 1.00 63.41 H new ATOM 0 HE2 PHE A 615 -1.060 -38.367 -11.167 1.00 73.44 H new ATOM 0 HZ PHE A 615 -1.808 -39.265 -13.363 1.00 44.14 H new ATOM 1364 N ILE A 616 5.544 -37.861 -10.560 1.00 40.24 N ATOM 1365 CA ILE A 616 5.957 -37.735 -9.165 1.00 23.25 C ATOM 1366 C ILE A 616 5.552 -36.355 -8.717 1.00 51.14 C ATOM 1367 O ILE A 616 6.021 -35.368 -9.266 1.00 42.41 O ATOM 1368 CB ILE A 616 7.484 -37.841 -8.996 1.00 20.53 C ATOM 1369 CG1 ILE A 616 8.049 -39.076 -9.711 1.00 2.14 C ATOM 1370 CG2 ILE A 616 7.859 -37.893 -7.502 1.00 25.42 C ATOM 1371 CD1 ILE A 616 9.498 -38.926 -9.977 1.00 51.32 C ATOM 0 H ILE A 616 5.855 -37.102 -11.166 1.00 40.24 H new ATOM 0 HA ILE A 616 5.494 -38.536 -8.588 1.00 23.25 H new ATOM 0 HB ILE A 616 7.923 -36.953 -9.451 1.00 20.53 H new ATOM 0 HG12 ILE A 616 7.879 -39.962 -9.100 1.00 2.14 H new ATOM 0 HG13 ILE A 616 7.518 -39.230 -10.651 1.00 2.14 H new ATOM 0 HG21 ILE A 616 8.942 -37.968 -7.401 1.00 25.42 H new ATOM 0 HG22 ILE A 616 7.510 -36.986 -7.008 1.00 25.42 H new ATOM 0 HG23 ILE A 616 7.391 -38.762 -7.039 1.00 25.42 H new ATOM 0 HD11 ILE A 616 9.869 -39.817 -10.484 1.00 51.32 H new ATOM 0 HD12 ILE A 616 9.664 -38.053 -10.609 1.00 51.32 H new ATOM 0 HD13 ILE A 616 10.030 -38.797 -9.034 1.00 51.32 H new ATOM 1383 N ALA A 617 4.668 -36.274 -7.741 1.00 75.33 N ATOM 1384 CA ALA A 617 4.204 -34.983 -7.255 1.00 24.35 C ATOM 1385 C ALA A 617 4.840 -34.735 -5.904 1.00 30.52 C ATOM 1386 O ALA A 617 5.125 -35.665 -5.140 1.00 75.02 O ATOM 1387 CB ALA A 617 2.670 -34.966 -7.149 1.00 34.13 C ATOM 0 H ALA A 617 4.257 -37.080 -7.270 1.00 75.33 H new ATOM 0 HA ALA A 617 4.490 -34.194 -7.950 1.00 24.35 H new ATOM 0 HB1 ALA A 617 2.341 -33.993 -6.784 1.00 34.13 H new ATOM 0 HB2 ALA A 617 2.235 -35.151 -8.131 1.00 34.13 H new ATOM 0 HB3 ALA A 617 2.345 -35.742 -6.456 1.00 34.13 H new ATOM 1393 N LEU A 618 5.048 -33.467 -5.613 1.00 71.20 N ATOM 1394 CA LEU A 618 5.601 -33.050 -4.342 1.00 74.01 C ATOM 1395 C LEU A 618 4.455 -32.901 -3.363 1.00 24.41 C ATOM 1396 O LEU A 618 3.353 -32.533 -3.751 1.00 22.13 O ATOM 1397 CB LEU A 618 6.334 -31.726 -4.522 1.00 64.04 C ATOM 1398 CG LEU A 618 7.528 -31.802 -5.487 1.00 61.33 C ATOM 1399 CD1 LEU A 618 8.006 -30.409 -5.820 1.00 75.43 C ATOM 1400 CD2 LEU A 618 8.649 -32.638 -4.888 1.00 61.20 C ATOM 0 H LEU A 618 4.839 -32.698 -6.250 1.00 71.20 H new ATOM 0 HA LEU A 618 6.312 -33.784 -3.964 1.00 74.01 H new ATOM 0 HB2 LEU A 618 5.630 -30.979 -4.889 1.00 64.04 H new ATOM 0 HB3 LEU A 618 6.686 -31.382 -3.550 1.00 64.04 H new ATOM 0 HG LEU A 618 7.210 -32.288 -6.409 1.00 61.33 H new ATOM 0 HD11 LEU A 618 8.852 -30.469 -6.504 1.00 75.43 H new ATOM 0 HD12 LEU A 618 7.197 -29.850 -6.291 1.00 75.43 H new ATOM 0 HD13 LEU A 618 8.314 -29.902 -4.906 1.00 75.43 H new ATOM 0 HD21 LEU A 618 9.485 -32.680 -5.586 1.00 61.20 H new ATOM 0 HD22 LEU A 618 8.980 -32.186 -3.953 1.00 61.20 H new ATOM 0 HD23 LEU A 618 8.287 -33.648 -4.695 1.00 61.20 H new ATOM 1412 N GLY A 619 4.720 -33.203 -2.104 1.00 11.22 N ATOM 1413 CA GLY A 619 3.703 -33.086 -1.072 1.00 65.33 C ATOM 1414 C GLY A 619 3.474 -31.639 -0.707 1.00 2.33 C ATOM 1415 O GLY A 619 2.627 -30.944 -1.243 1.00 53.50 O ATOM 0 H GLY A 619 5.627 -33.530 -1.772 1.00 11.22 H new ATOM 0 HA2 GLY A 619 2.771 -33.529 -1.422 1.00 65.33 H new ATOM 0 HA3 GLY A 619 4.010 -33.645 -0.188 1.00 65.33 H new ATOM 1419 N GLU A 620 4.295 -31.190 0.225 1.00 31.33 N ATOM 1420 CA GLU A 620 4.276 -29.840 0.729 1.00 72.22 C ATOM 1421 C GLU A 620 5.648 -29.451 1.196 1.00 71.35 C ATOM 1422 O GLU A 620 6.175 -30.045 2.136 1.00 23.31 O ATOM 1423 CB GLU A 620 3.404 -29.754 1.954 1.00 21.20 C ATOM 1424 CG GLU A 620 2.080 -29.268 1.639 1.00 60.23 C ATOM 1425 CD GLU A 620 1.866 -27.867 2.208 1.00 14.11 C ATOM 1426 OE1 GLU A 620 1.853 -27.722 3.455 1.00 60.12 O ATOM 1427 OE2 GLU A 620 1.889 -26.891 1.427 1.00 23.32 O ATOM 0 H GLU A 620 5.010 -31.774 0.660 1.00 31.33 H new ATOM 0 HA GLU A 620 3.915 -29.197 -0.074 1.00 72.22 H new ATOM 0 HB2 GLU A 620 3.329 -30.738 2.416 1.00 21.20 H new ATOM 0 HB3 GLU A 620 3.869 -29.093 2.685 1.00 21.20 H new ATOM 0 HG2 GLU A 620 1.942 -29.251 0.558 1.00 60.23 H new ATOM 0 HG3 GLU A 620 1.332 -29.949 2.045 1.00 60.23 H new ATOM 1434 N PRO A 621 6.238 -28.431 0.587 1.00 21.23 N ATOM 1435 CA PRO A 621 7.516 -27.996 1.133 1.00 20.33 C ATOM 1436 C PRO A 621 7.297 -27.380 2.522 1.00 63.41 C ATOM 1437 O PRO A 621 6.299 -26.688 2.770 1.00 70.42 O ATOM 1438 CB PRO A 621 7.996 -26.997 0.083 1.00 44.31 C ATOM 1439 CG PRO A 621 6.735 -26.442 -0.484 1.00 33.34 C ATOM 1440 CD PRO A 621 5.822 -27.607 -0.556 1.00 73.11 C ATOM 0 HA PRO A 621 8.251 -28.784 1.297 1.00 20.33 H new ATOM 0 HB2 PRO A 621 8.613 -26.216 0.527 1.00 44.31 H new ATOM 0 HB3 PRO A 621 8.600 -27.482 -0.684 1.00 44.31 H new ATOM 0 HG2 PRO A 621 6.326 -25.655 0.150 1.00 33.34 H new ATOM 0 HG3 PRO A 621 6.900 -26.005 -1.469 1.00 33.34 H new ATOM 0 HD2 PRO A 621 4.778 -27.306 -0.476 1.00 73.11 H new ATOM 0 HD3 PRO A 621 5.928 -28.144 -1.499 1.00 73.11 H new ATOM 1448 N LYS A 622 8.195 -27.682 3.447 1.00 63.10 N ATOM 1449 CA LYS A 622 8.078 -27.227 4.833 1.00 74.43 C ATOM 1450 C LYS A 622 9.409 -26.658 5.253 1.00 74.15 C ATOM 1451 O LYS A 622 10.438 -27.214 4.954 1.00 44.42 O ATOM 1452 CB LYS A 622 7.720 -28.404 5.745 1.00 25.10 C ATOM 1453 CG LYS A 622 6.336 -29.010 5.476 1.00 1.43 C ATOM 1454 CD LYS A 622 6.135 -30.343 6.193 1.00 13.20 C ATOM 1455 CE LYS A 622 6.948 -31.454 5.523 1.00 62.34 C ATOM 1456 NZ LYS A 622 6.717 -32.795 6.149 1.00 75.03 N ATOM 0 H LYS A 622 9.024 -28.247 3.264 1.00 63.10 H new ATOM 0 HA LYS A 622 7.295 -26.473 4.911 1.00 74.43 H new ATOM 0 HB2 LYS A 622 8.474 -29.182 5.628 1.00 25.10 H new ATOM 0 HB3 LYS A 622 7.763 -28.072 6.782 1.00 25.10 H new ATOM 0 HG2 LYS A 622 5.566 -28.308 5.797 1.00 1.43 H new ATOM 0 HG3 LYS A 622 6.208 -29.155 4.403 1.00 1.43 H new ATOM 0 HD2 LYS A 622 6.434 -30.247 7.237 1.00 13.20 H new ATOM 0 HD3 LYS A 622 5.078 -30.607 6.187 1.00 13.20 H new ATOM 0 HE2 LYS A 622 6.689 -31.501 4.465 1.00 62.34 H new ATOM 0 HE3 LYS A 622 8.008 -31.208 5.580 1.00 62.34 H new ATOM 0 HZ1 LYS A 622 7.420 -33.472 5.789 1.00 75.03 H new ATOM 0 HZ2 LYS A 622 6.809 -32.716 7.182 1.00 75.03 H new ATOM 0 HZ3 LYS A 622 5.761 -33.129 5.911 1.00 75.03 H new ATOM 1470 N TRP A 623 9.391 -25.565 5.976 1.00 55.02 N ATOM 1471 CA TRP A 623 10.617 -24.903 6.402 1.00 34.01 C ATOM 1472 C TRP A 623 11.109 -25.582 7.634 1.00 72.53 C ATOM 1473 O TRP A 623 10.492 -25.445 8.691 1.00 22.44 O ATOM 1474 CB TRP A 623 10.267 -23.478 6.749 1.00 33.11 C ATOM 1475 CG TRP A 623 11.342 -22.524 6.595 1.00 42.42 C ATOM 1476 CD1 TRP A 623 12.603 -22.706 6.110 1.00 61.54 C ATOM 1477 CD2 TRP A 623 11.265 -21.160 6.961 1.00 61.11 C ATOM 1478 NE1 TRP A 623 13.285 -21.532 6.079 1.00 44.44 N ATOM 1479 CE2 TRP A 623 12.492 -20.546 6.582 1.00 51.00 C ATOM 1480 CE3 TRP A 623 10.294 -20.399 7.618 1.00 42.35 C ATOM 1481 CZ2 TRP A 623 12.738 -19.179 6.785 1.00 41.03 C ATOM 1482 CZ3 TRP A 623 10.539 -19.081 7.885 1.00 43.33 C ATOM 1483 CH2 TRP A 623 11.752 -18.440 7.425 1.00 4.02 C ATOM 0 H TRP A 623 8.536 -25.105 6.288 1.00 55.02 H new ATOM 0 HA TRP A 623 11.377 -24.939 5.621 1.00 34.01 H new ATOM 0 HB2 TRP A 623 9.432 -23.164 6.123 1.00 33.11 H new ATOM 0 HB3 TRP A 623 9.921 -23.447 7.782 1.00 33.11 H new ATOM 0 HD1 TRP A 623 13.006 -23.657 5.793 1.00 61.54 H new ATOM 0 HE1 TRP A 623 14.237 -21.409 5.735 1.00 44.44 H new ATOM 0 HE3 TRP A 623 9.357 -20.849 7.912 1.00 42.35 H new ATOM 0 HZ2 TRP A 623 13.659 -18.720 6.456 1.00 41.03 H new ATOM 0 HZ3 TRP A 623 9.816 -18.509 8.448 1.00 43.33 H new ATOM 0 HH2 TRP A 623 11.891 -17.380 7.580 1.00 4.02 H new ATOM 1494 N MET A 624 12.220 -26.300 7.554 1.00 74.43 N ATOM 1495 CA MET A 624 12.821 -26.648 8.799 1.00 23.11 C ATOM 1496 C MET A 624 14.255 -26.198 8.934 1.00 42.43 C ATOM 1497 O MET A 624 15.201 -26.951 9.131 1.00 21.21 O ATOM 1498 CB MET A 624 13.024 -28.104 8.633 1.00 53.20 C ATOM 1499 CG MET A 624 11.833 -28.963 8.234 1.00 42.03 C ATOM 1500 SD MET A 624 10.652 -29.257 9.532 1.00 53.32 S ATOM 1501 CE MET A 624 9.845 -30.670 8.815 1.00 53.33 C ATOM 0 H MET A 624 12.682 -26.624 6.705 1.00 74.43 H new ATOM 0 HA MET A 624 12.216 -26.247 9.612 1.00 23.11 H new ATOM 0 HB2 MET A 624 13.802 -28.247 7.883 1.00 53.20 H new ATOM 0 HB3 MET A 624 13.413 -28.494 9.574 1.00 53.20 H new ATOM 0 HG2 MET A 624 11.322 -28.484 7.399 1.00 42.03 H new ATOM 0 HG3 MET A 624 12.201 -29.923 7.873 1.00 42.03 H new ATOM 0 HE1 MET A 624 9.056 -31.016 9.483 1.00 53.33 H new ATOM 0 HE2 MET A 624 9.411 -30.393 7.854 1.00 53.33 H new ATOM 0 HE3 MET A 624 10.572 -31.468 8.667 1.00 53.33 H new ATOM 1511 N GLU A 625 14.259 -24.966 9.282 1.00 2.52 N ATOM 1512 CA GLU A 625 15.198 -24.284 10.117 1.00 34.03 C ATOM 1513 C GLU A 625 14.348 -23.183 10.670 1.00 22.12 C ATOM 1514 O GLU A 625 14.670 -22.179 10.241 1.00 70.32 O ATOM 1515 CB GLU A 625 16.207 -23.711 9.101 1.00 0.00 C ATOM 1516 CG GLU A 625 17.282 -22.695 9.563 1.00 52.01 C ATOM 1517 CD GLU A 625 18.638 -22.875 8.897 1.00 72.21 C ATOM 1518 OE1 GLU A 625 19.053 -24.022 8.645 1.00 15.13 O ATOM 1519 OE2 GLU A 625 19.270 -21.847 8.581 1.00 12.25 O ATOM 0 H GLU A 625 13.527 -24.334 8.957 1.00 2.52 H new ATOM 0 HA GLU A 625 15.708 -24.848 10.898 1.00 34.03 H new ATOM 0 HB2 GLU A 625 16.731 -24.556 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 625 15.632 -23.235 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 625 16.922 -21.686 9.362 1.00 52.01 H new ATOM 0 HG3 GLU A 625 17.406 -22.780 10.643 1.00 52.01 H new ATOM 1526 N ARG A 626 13.634 -23.159 11.785 1.00 44.22 N ATOM 1527 CA ARG A 626 12.895 -21.894 12.202 1.00 10.34 C ATOM 1528 C ARG A 626 11.891 -22.159 13.304 1.00 2.54 C ATOM 1529 O ARG A 626 12.079 -21.742 14.435 1.00 72.52 O ATOM 1530 CB ARG A 626 12.056 -21.069 11.080 1.00 32.40 C ATOM 1531 CG ARG A 626 12.788 -20.338 9.958 1.00 12.15 C ATOM 1532 CD ARG A 626 13.860 -19.332 10.443 1.00 25.54 C ATOM 1533 NE ARG A 626 13.277 -18.303 11.333 1.00 2.41 N ATOM 1534 CZ ARG A 626 13.538 -18.158 12.628 1.00 21.12 C ATOM 1535 NH1 ARG A 626 14.398 -18.913 13.267 1.00 10.54 N ATOM 1536 NH2 ARG A 626 12.917 -17.232 13.292 1.00 4.22 N ATOM 0 H ARG A 626 13.528 -23.949 12.422 1.00 44.22 H new ATOM 0 HA ARG A 626 13.749 -21.281 12.492 1.00 10.34 H new ATOM 0 HB2 ARG A 626 11.366 -21.771 10.612 1.00 32.40 H new ATOM 0 HB3 ARG A 626 11.452 -20.330 11.607 1.00 32.40 H new ATOM 0 HG2 ARG A 626 13.265 -21.075 9.311 1.00 12.15 H new ATOM 0 HG3 ARG A 626 12.057 -19.806 9.350 1.00 12.15 H new ATOM 0 HD2 ARG A 626 14.649 -19.867 10.972 1.00 25.54 H new ATOM 0 HD3 ARG A 626 14.323 -18.850 9.582 1.00 25.54 H new ATOM 0 HE ARG A 626 12.617 -17.647 10.916 1.00 2.41 H new ATOM 0 HH11 ARG A 626 14.899 -19.649 12.769 1.00 10.54 H new ATOM 0 HH12 ARG A 626 14.566 -18.765 14.262 1.00 10.54 H new ATOM 0 HH21 ARG A 626 12.242 -16.631 12.819 1.00 4.22 H new ATOM 0 HH22 ARG A 626 13.104 -17.105 14.287 1.00 4.22 H new ATOM 1916 N GLY A 650 7.043 -17.866 6.857 1.00 72.33 N ATOM 1917 CA GLY A 650 8.029 -18.212 5.846 1.00 23.50 C ATOM 1918 C GLY A 650 7.704 -19.361 4.918 1.00 34.53 C ATOM 1919 O GLY A 650 8.598 -19.873 4.255 1.00 23.12 O ATOM 0 HA2 GLY A 650 8.209 -17.327 5.235 1.00 23.50 H new ATOM 0 HA3 GLY A 650 8.965 -18.445 6.354 1.00 23.50 H new ATOM 1923 N LYS A 651 6.472 -19.845 4.941 1.00 40.12 N ATOM 1924 CA LYS A 651 6.122 -21.101 4.329 1.00 43.54 C ATOM 1925 C LYS A 651 6.429 -21.180 2.840 1.00 24.32 C ATOM 1926 O LYS A 651 5.902 -20.414 2.041 1.00 42.23 O ATOM 1927 CB LYS A 651 4.632 -21.289 4.542 1.00 71.03 C ATOM 1928 CG LYS A 651 4.293 -22.374 5.546 1.00 13.44 C ATOM 1929 CD LYS A 651 4.416 -23.813 4.976 1.00 22.13 C ATOM 1930 CE LYS A 651 3.536 -24.027 3.744 1.00 22.35 C ATOM 1931 NZ LYS A 651 3.620 -25.429 3.196 1.00 24.41 N ATOM 0 H LYS A 651 5.689 -19.369 5.389 1.00 40.12 H new ATOM 0 HA LYS A 651 6.725 -21.882 4.792 1.00 43.54 H new ATOM 0 HB2 LYS A 651 4.200 -20.347 4.879 1.00 71.03 H new ATOM 0 HB3 LYS A 651 4.165 -21.531 3.587 1.00 71.03 H new ATOM 0 HG2 LYS A 651 4.952 -22.277 6.409 1.00 13.44 H new ATOM 0 HG3 LYS A 651 3.275 -22.220 5.904 1.00 13.44 H new ATOM 0 HD2 LYS A 651 5.456 -24.010 4.716 1.00 22.13 H new ATOM 0 HD3 LYS A 651 4.139 -24.532 5.747 1.00 22.13 H new ATOM 0 HE2 LYS A 651 2.500 -23.805 4.001 1.00 22.35 H new ATOM 0 HE3 LYS A 651 3.830 -23.321 2.967 1.00 22.35 H new ATOM 0 HZ1 LYS A 651 3.142 -25.470 2.273 1.00 24.41 H new ATOM 0 HZ2 LYS A 651 4.618 -25.698 3.081 1.00 24.41 H new ATOM 0 HZ3 LYS A 651 3.158 -26.088 3.855 1.00 24.41 H new ATOM 1945 N PRO A 652 7.279 -22.150 2.448 1.00 61.51 N ATOM 1946 CA PRO A 652 7.502 -22.321 1.015 1.00 42.25 C ATOM 1947 C PRO A 652 6.261 -22.875 0.364 1.00 41.12 C ATOM 1948 O PRO A 652 5.391 -23.450 1.024 1.00 3.15 O ATOM 1949 CB PRO A 652 8.638 -23.333 0.954 1.00 35.43 C ATOM 1950 CG PRO A 652 8.509 -24.090 2.200 1.00 2.02 C ATOM 1951 CD PRO A 652 8.034 -23.151 3.229 1.00 33.13 C ATOM 0 HA PRO A 652 7.736 -21.391 0.497 1.00 42.25 H new ATOM 0 HB2 PRO A 652 8.548 -23.981 0.082 1.00 35.43 H new ATOM 0 HB3 PRO A 652 9.608 -22.840 0.886 1.00 35.43 H new ATOM 0 HG2 PRO A 652 7.808 -24.915 2.078 1.00 2.02 H new ATOM 0 HG3 PRO A 652 9.466 -24.525 2.488 1.00 2.02 H new ATOM 0 HD2 PRO A 652 7.402 -23.647 3.966 1.00 33.13 H new ATOM 0 HD3 PRO A 652 8.862 -22.697 3.773 1.00 33.13 H new ATOM 1959 N VAL A 653 6.193 -22.705 -0.940 1.00 61.53 N ATOM 1960 CA VAL A 653 5.042 -23.169 -1.721 1.00 33.11 C ATOM 1961 C VAL A 653 5.487 -23.925 -2.968 1.00 22.33 C ATOM 1962 O VAL A 653 6.657 -23.876 -3.365 1.00 10.53 O ATOM 1963 CB VAL A 653 4.103 -21.981 -2.123 1.00 21.12 C ATOM 1964 CG1 VAL A 653 3.511 -21.312 -0.871 1.00 51.25 C ATOM 1965 CG2 VAL A 653 4.846 -20.942 -2.964 1.00 24.35 C ATOM 0 H VAL A 653 6.919 -22.248 -1.492 1.00 61.53 H new ATOM 0 HA VAL A 653 4.480 -23.851 -1.083 1.00 33.11 H new ATOM 0 HB VAL A 653 3.293 -22.393 -2.725 1.00 21.12 H new ATOM 0 HG11 VAL A 653 2.862 -20.489 -1.171 1.00 51.25 H new ATOM 0 HG12 VAL A 653 2.933 -22.044 -0.307 1.00 51.25 H new ATOM 0 HG13 VAL A 653 4.318 -20.928 -0.247 1.00 51.25 H new ATOM 0 HG21 VAL A 653 4.166 -20.132 -3.226 1.00 24.35 H new ATOM 0 HG22 VAL A 653 5.683 -20.542 -2.392 1.00 24.35 H new ATOM 0 HG23 VAL A 653 5.219 -21.411 -3.875 1.00 24.35 H new ATOM 1975 N LEU A 654 4.548 -24.644 -3.563 1.00 4.24 N ATOM 1976 CA LEU A 654 4.803 -25.409 -4.778 1.00 21.22 C ATOM 1977 C LEU A 654 4.927 -24.437 -5.946 1.00 43.22 C ATOM 1978 O LEU A 654 4.364 -23.345 -5.917 1.00 50.34 O ATOM 1979 CB LEU A 654 3.651 -26.402 -5.048 1.00 3.33 C ATOM 1980 CG LEU A 654 3.454 -27.624 -4.119 1.00 41.22 C ATOM 1981 CD1 LEU A 654 4.753 -28.409 -3.985 1.00 61.12 C ATOM 1982 CD2 LEU A 654 2.901 -27.263 -2.739 1.00 22.54 C ATOM 0 H LEU A 654 3.590 -24.715 -3.220 1.00 4.24 H new ATOM 0 HA LEU A 654 5.724 -25.979 -4.660 1.00 21.22 H new ATOM 0 HB2 LEU A 654 2.722 -25.832 -5.037 1.00 3.33 H new ATOM 0 HB3 LEU A 654 3.780 -26.782 -6.061 1.00 3.33 H new ATOM 0 HG LEU A 654 2.698 -28.248 -4.595 1.00 41.22 H new ATOM 0 HD11 LEU A 654 4.595 -29.264 -3.328 1.00 61.12 H new ATOM 0 HD12 LEU A 654 5.069 -28.759 -4.967 1.00 61.12 H new ATOM 0 HD13 LEU A 654 5.525 -27.765 -3.563 1.00 61.12 H new ATOM 0 HD21 LEU A 654 2.789 -28.169 -2.143 1.00 22.54 H new ATOM 0 HD22 LEU A 654 3.589 -26.582 -2.238 1.00 22.54 H new ATOM 0 HD23 LEU A 654 1.930 -26.780 -2.851 1.00 22.54 H new ATOM 1994 N GLY A 655 5.685 -24.839 -6.956 1.00 1.53 N ATOM 1995 CA GLY A 655 5.914 -23.994 -8.117 1.00 60.52 C ATOM 1996 C GLY A 655 4.962 -24.180 -9.264 1.00 52.21 C ATOM 1997 O GLY A 655 3.864 -24.702 -9.129 1.00 63.01 O ATOM 0 H GLY A 655 6.152 -25.745 -6.994 1.00 1.53 H new ATOM 0 HA2 GLY A 655 5.869 -22.953 -7.798 1.00 60.52 H new ATOM 0 HA3 GLY A 655 6.927 -24.173 -8.478 1.00 60.52 H new ATOM 2001 N GLU A 656 5.423 -23.724 -10.414 1.00 10.41 N ATOM 2002 CA GLU A 656 4.666 -23.761 -11.652 1.00 15.32 C ATOM 2003 C GLU A 656 4.686 -25.154 -12.304 1.00 13.32 C ATOM 2004 O GLU A 656 3.731 -25.538 -12.965 1.00 15.43 O ATOM 2005 CB GLU A 656 5.252 -22.710 -12.608 1.00 43.13 C ATOM 2006 CG GLU A 656 5.119 -21.234 -12.110 1.00 4.22 C ATOM 2007 CD GLU A 656 6.086 -20.850 -10.962 1.00 4.42 C ATOM 2008 OE1 GLU A 656 7.120 -21.539 -10.769 1.00 73.11 O ATOM 2009 OE2 GLU A 656 5.790 -19.865 -10.235 1.00 31.22 O ATOM 0 H GLU A 656 6.350 -23.310 -10.516 1.00 10.41 H new ATOM 0 HA GLU A 656 3.622 -23.537 -11.432 1.00 15.32 H new ATOM 0 HB2 GLU A 656 6.307 -22.932 -12.769 1.00 43.13 H new ATOM 0 HB3 GLU A 656 4.756 -22.800 -13.575 1.00 43.13 H new ATOM 0 HG2 GLU A 656 5.291 -20.564 -12.952 1.00 4.22 H new ATOM 0 HG3 GLU A 656 4.095 -21.068 -11.775 1.00 4.22 H new ATOM 2016 N HIS A 657 5.753 -25.923 -12.084 1.00 71.54 N ATOM 2017 CA HIS A 657 5.844 -27.307 -12.599 1.00 3.42 C ATOM 2018 C HIS A 657 6.341 -28.268 -11.503 1.00 22.40 C ATOM 2019 O HIS A 657 7.410 -28.840 -11.617 1.00 11.34 O ATOM 2020 CB HIS A 657 6.821 -27.382 -13.798 1.00 12.13 C ATOM 2021 CG HIS A 657 6.625 -26.306 -14.823 1.00 0.42 C ATOM 2022 ND1 HIS A 657 6.068 -26.523 -16.089 1.00 40.30 N ATOM 2023 CD2 HIS A 657 6.943 -24.982 -14.812 1.00 1.21 C ATOM 2024 CE1 HIS A 657 6.078 -25.380 -16.763 1.00 65.32 C ATOM 2025 NE2 HIS A 657 6.597 -24.443 -16.014 1.00 4.44 N ATOM 0 H HIS A 657 6.570 -25.620 -11.554 1.00 71.54 H new ATOM 0 HA HIS A 657 4.844 -27.602 -12.919 1.00 3.42 H new ATOM 0 HB2 HIS A 657 7.843 -27.328 -13.423 1.00 12.13 H new ATOM 0 HB3 HIS A 657 6.710 -28.353 -14.282 1.00 12.13 H new ATOM 0 HD1 HIS A 657 5.713 -27.414 -16.436 1.00 40.30 H new ATOM 0 HD2 HIS A 657 7.394 -24.449 -13.988 1.00 1.21 H new ATOM 0 HE1 HIS A 657 5.715 -25.245 -17.771 1.00 65.32 H new ATOM 2033 N PRO A 658 5.592 -28.431 -10.399 1.00 74.21 N ATOM 2034 CA PRO A 658 6.041 -29.267 -9.273 1.00 33.32 C ATOM 2035 C PRO A 658 5.839 -30.777 -9.481 1.00 12.42 C ATOM 2036 O PRO A 658 5.673 -31.534 -8.520 1.00 1.43 O ATOM 2037 CB PRO A 658 5.166 -28.754 -8.132 1.00 42.23 C ATOM 2038 CG PRO A 658 3.900 -28.409 -8.805 1.00 24.25 C ATOM 2039 CD PRO A 658 4.296 -27.797 -10.102 1.00 25.55 C ATOM 0 HA PRO A 658 7.116 -29.184 -9.111 1.00 33.32 H new ATOM 0 HB2 PRO A 658 5.020 -29.514 -7.364 1.00 42.23 H new ATOM 0 HB3 PRO A 658 5.610 -27.888 -7.642 1.00 42.23 H new ATOM 0 HG2 PRO A 658 3.284 -29.294 -8.960 1.00 24.25 H new ATOM 0 HG3 PRO A 658 3.313 -27.713 -8.205 1.00 24.25 H new ATOM 0 HD2 PRO A 658 3.562 -27.999 -10.882 1.00 25.55 H new ATOM 0 HD3 PRO A 658 4.388 -26.714 -10.023 1.00 25.55 H new ATOM 2047 N LYS A 659 5.808 -31.197 -10.739 1.00 13.45 N ATOM 2048 CA LYS A 659 5.572 -32.593 -11.104 1.00 35.25 C ATOM 2049 C LYS A 659 6.149 -32.835 -12.482 1.00 12.11 C ATOM 2050 O LYS A 659 6.130 -31.939 -13.312 1.00 5.51 O ATOM 2051 CB LYS A 659 4.079 -32.862 -11.133 1.00 22.45 C ATOM 2052 CG LYS A 659 3.723 -34.324 -11.412 1.00 33.33 C ATOM 2053 CD LYS A 659 2.354 -34.670 -10.887 1.00 64.41 C ATOM 2054 CE LYS A 659 1.309 -34.054 -11.716 1.00 53.01 C ATOM 2055 NZ LYS A 659 1.216 -34.648 -13.134 1.00 72.43 N ATOM 0 H LYS A 659 5.946 -30.580 -11.539 1.00 13.45 H new ATOM 0 HA LYS A 659 6.044 -33.254 -10.377 1.00 35.25 H new ATOM 0 HB2 LYS A 659 3.647 -32.568 -10.176 1.00 22.45 H new ATOM 0 HB3 LYS A 659 3.620 -32.233 -11.896 1.00 22.45 H new ATOM 0 HG2 LYS A 659 3.760 -34.510 -12.485 1.00 33.33 H new ATOM 0 HG3 LYS A 659 4.466 -34.975 -10.950 1.00 33.33 H new ATOM 0 HD2 LYS A 659 2.226 -35.752 -10.877 1.00 64.41 H new ATOM 0 HD3 LYS A 659 2.257 -34.328 -9.857 1.00 64.41 H new ATOM 0 HE2 LYS A 659 0.346 -34.171 -11.218 1.00 53.01 H new ATOM 0 HE3 LYS A 659 1.501 -32.984 -11.791 1.00 53.01 H new ATOM 0 HZ1 LYS A 659 0.261 -34.491 -13.514 1.00 72.43 H new ATOM 0 HZ2 LYS A 659 1.914 -34.186 -13.751 1.00 72.43 H new ATOM 0 HZ3 LYS A 659 1.410 -35.669 -13.096 1.00 72.43 H new ATOM 2069 N LEU A 660 6.616 -34.050 -12.718 1.00 63.25 N ATOM 2070 CA LEU A 660 7.135 -34.460 -14.017 1.00 52.54 C ATOM 2071 C LEU A 660 6.396 -35.723 -14.416 1.00 14.54 C ATOM 2072 O LEU A 660 6.380 -36.685 -13.658 1.00 0.13 O ATOM 2073 CB LEU A 660 8.646 -34.729 -13.928 1.00 45.30 C ATOM 2074 CG LEU A 660 9.320 -35.300 -15.179 1.00 12.45 C ATOM 2075 CD1 LEU A 660 9.028 -34.442 -16.383 1.00 43.04 C ATOM 2076 CD2 LEU A 660 10.829 -35.412 -14.973 1.00 3.50 C ATOM 0 H LEU A 660 6.647 -34.785 -12.012 1.00 63.25 H new ATOM 0 HA LEU A 660 6.984 -33.675 -14.758 1.00 52.54 H new ATOM 0 HB2 LEU A 660 9.143 -33.794 -13.671 1.00 45.30 H new ATOM 0 HB3 LEU A 660 8.820 -35.420 -13.103 1.00 45.30 H new ATOM 0 HG LEU A 660 8.914 -36.296 -15.354 1.00 12.45 H new ATOM 0 HD11 LEU A 660 9.517 -34.867 -17.260 1.00 43.04 H new ATOM 0 HD12 LEU A 660 7.952 -34.404 -16.550 1.00 43.04 H new ATOM 0 HD13 LEU A 660 9.404 -33.434 -16.211 1.00 43.04 H new ATOM 0 HD21 LEU A 660 11.290 -35.820 -15.873 1.00 3.50 H new ATOM 0 HD22 LEU A 660 11.243 -34.424 -14.769 1.00 3.50 H new ATOM 0 HD23 LEU A 660 11.033 -36.072 -14.130 1.00 3.50 H new ATOM 2088 N GLU A 661 5.757 -35.689 -15.576 1.00 31.34 N ATOM 2089 CA GLU A 661 5.046 -36.841 -16.120 1.00 40.34 C ATOM 2090 C GLU A 661 6.013 -37.673 -16.930 1.00 55.43 C ATOM 2091 O GLU A 661 6.749 -37.124 -17.721 1.00 21.02 O ATOM 2092 CB GLU A 661 3.945 -36.355 -17.042 1.00 63.32 C ATOM 2093 CG GLU A 661 2.872 -37.352 -17.218 1.00 41.13 C ATOM 2094 CD GLU A 661 1.531 -36.863 -16.636 1.00 53.03 C ATOM 2095 OE1 GLU A 661 1.534 -36.090 -15.630 1.00 72.01 O ATOM 2096 OE2 GLU A 661 0.476 -37.302 -17.131 1.00 60.40 O ATOM 0 H GLU A 661 5.716 -34.861 -16.170 1.00 31.34 H new ATOM 0 HA GLU A 661 4.623 -37.431 -15.307 1.00 40.34 H new ATOM 0 HB2 GLU A 661 3.519 -35.435 -16.640 1.00 63.32 H new ATOM 0 HB3 GLU A 661 4.372 -36.110 -18.015 1.00 63.32 H new ATOM 0 HG2 GLU A 661 2.749 -37.570 -18.279 1.00 41.13 H new ATOM 0 HG3 GLU A 661 3.160 -38.284 -16.733 1.00 41.13 H new ATOM 2103 N VAL A 662 6.033 -38.974 -16.717 1.00 30.14 N ATOM 2104 CA VAL A 662 7.015 -39.868 -17.329 1.00 34.25 C ATOM 2105 C VAL A 662 6.262 -40.974 -18.009 1.00 23.23 C ATOM 2106 O VAL A 662 5.411 -41.626 -17.412 1.00 12.13 O ATOM 2107 CB VAL A 662 7.940 -40.499 -16.258 1.00 63.22 C ATOM 2108 CG1 VAL A 662 9.174 -41.159 -16.820 1.00 1.31 C ATOM 2109 CG2 VAL A 662 8.168 -39.585 -15.031 1.00 54.24 C ATOM 0 H VAL A 662 5.366 -39.451 -16.111 1.00 30.14 H new ATOM 0 HA VAL A 662 7.629 -39.301 -18.028 1.00 34.25 H new ATOM 0 HB VAL A 662 7.384 -41.343 -15.850 1.00 63.22 H new ATOM 0 HG11 VAL A 662 9.767 -41.575 -16.006 1.00 1.31 H new ATOM 0 HG12 VAL A 662 8.881 -41.958 -17.501 1.00 1.31 H new ATOM 0 HG13 VAL A 662 9.767 -40.421 -17.360 1.00 1.31 H new ATOM 0 HG21 VAL A 662 8.824 -40.087 -14.320 1.00 54.24 H new ATOM 0 HG22 VAL A 662 8.629 -38.651 -15.353 1.00 54.24 H new ATOM 0 HG23 VAL A 662 7.212 -39.372 -14.554 1.00 54.24 H new ATOM 2119 N ILE A 663 6.599 -41.177 -19.264 1.00 63.52 N ATOM 2120 CA ILE A 663 6.004 -42.217 -20.072 1.00 43.44 C ATOM 2121 C ILE A 663 7.077 -43.275 -20.138 1.00 4.24 C ATOM 2122 O ILE A 663 8.244 -42.960 -20.391 1.00 22.54 O ATOM 2123 CB ILE A 663 5.673 -41.703 -21.497 1.00 62.03 C ATOM 2124 CG1 ILE A 663 4.623 -40.563 -21.434 1.00 34.25 C ATOM 2125 CG2 ILE A 663 5.237 -42.872 -22.409 1.00 43.14 C ATOM 2126 CD1 ILE A 663 3.170 -40.965 -21.748 1.00 44.00 C ATOM 0 H ILE A 663 7.299 -40.621 -19.755 1.00 63.52 H new ATOM 0 HA ILE A 663 5.064 -42.578 -19.655 1.00 43.44 H new ATOM 0 HB ILE A 663 6.572 -41.277 -21.943 1.00 62.03 H new ATOM 0 HG12 ILE A 663 4.650 -40.126 -20.436 1.00 34.25 H new ATOM 0 HG13 ILE A 663 4.922 -39.782 -22.133 1.00 34.25 H new ATOM 0 HG21 ILE A 663 5.009 -42.491 -23.405 1.00 43.14 H new ATOM 0 HG22 ILE A 663 6.044 -43.602 -22.476 1.00 43.14 H new ATOM 0 HG23 ILE A 663 4.350 -43.348 -21.991 1.00 43.14 H new ATOM 0 HD11 ILE A 663 2.526 -40.089 -21.673 1.00 44.00 H new ATOM 0 HD12 ILE A 663 3.115 -41.371 -22.758 1.00 44.00 H new ATOM 0 HD13 ILE A 663 2.839 -41.720 -21.035 1.00 44.00 H new ATOM 2138 N ILE A 664 6.700 -44.509 -19.882 1.00 22.31 N ATOM 2139 CA ILE A 664 7.620 -45.631 -19.971 1.00 34.40 C ATOM 2140 C ILE A 664 7.437 -46.222 -21.371 1.00 52.23 C ATOM 2141 O ILE A 664 6.498 -46.971 -21.640 1.00 31.20 O ATOM 2142 CB ILE A 664 7.388 -46.656 -18.825 1.00 23.25 C ATOM 2143 CG1 ILE A 664 7.556 -45.923 -17.471 1.00 51.21 C ATOM 2144 CG2 ILE A 664 8.401 -47.834 -18.938 1.00 20.52 C ATOM 2145 CD1 ILE A 664 7.203 -46.728 -16.244 1.00 32.41 C ATOM 0 H ILE A 664 5.752 -44.766 -19.607 1.00 22.31 H new ATOM 0 HA ILE A 664 8.655 -45.317 -19.837 1.00 34.40 H new ATOM 0 HB ILE A 664 6.383 -47.072 -18.897 1.00 23.25 H new ATOM 0 HG12 ILE A 664 8.592 -45.595 -17.382 1.00 51.21 H new ATOM 0 HG13 ILE A 664 6.937 -45.026 -17.485 1.00 51.21 H new ATOM 0 HG21 ILE A 664 8.226 -48.543 -18.129 1.00 20.52 H new ATOM 0 HG22 ILE A 664 8.269 -48.337 -19.896 1.00 20.52 H new ATOM 0 HG23 ILE A 664 9.418 -47.447 -18.868 1.00 20.52 H new ATOM 0 HD11 ILE A 664 7.357 -46.119 -15.353 1.00 32.41 H new ATOM 0 HD12 ILE A 664 6.158 -47.035 -16.298 1.00 32.41 H new ATOM 0 HD13 ILE A 664 7.838 -47.612 -16.194 1.00 32.41 H new