USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 716 THR OG1 : rot 180:sc= 0.164 USER MOD Set 1.2: A 738 THR OG1 : rot -78:sc= 0.166 USER MOD Set 2.1: A 722 THR OG1 : rot 180:sc= 0.51 USER MOD Set 2.2: A 732 THR OG1 : rot 106:sc= 0.562 USER MOD Set 3.1: A 721 TYR OH : rot -70:sc= -0.246 USER MOD Set 3.2: A 735 GLN : amide:sc= -3.51! C(o=-3.8!,f=-0.51!) USER MOD Single : A 668 LYS NZ :NH3+ 172:sc= -0.0062 (180deg=-0.0797) USER MOD Single : A 670 THR OG1 : rot 180:sc= 0 USER MOD Single : A 676 THR OG1 : rot 180:sc= 0 USER MOD Single : A 678 HIS : no HD1:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 682 SER OG : rot 180:sc= 0 USER MOD Single : A 686 MET CE :methyl 162:sc= -2.01 (180deg=-3.02!) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 THR OG1 : rot 99:sc= 0.62 USER MOD Single : A 701 SER OG : rot -22:sc= 0.0481 USER MOD Single : A 702 LYS NZ :NH3+ -171:sc=-0.000117 (180deg=-0.0829) USER MOD Single : A 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 711 THR OG1 : rot 180:sc= 0 USER MOD Single : A 712 THR OG1 : rot 180:sc= 0 USER MOD Single : A 713 LYS NZ :NH3+ -172:sc=-0.00643 (180deg=-0.0997) USER MOD Single : A 717 TYR OH : rot -165:sc= 0.746 USER MOD Single : A 720 THR OG1 : rot 180:sc= -0.0889 USER MOD Single : A 724 THR OG1 : rot -94:sc= 0.344 USER MOD Single : A 726 SER OG : rot 152:sc= 0.412 USER MOD Single : A 727 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 734 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 THR OG1 : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N ASP A 664 -21.251 -8.545 8.123 1.00 73.20 N ATOM 89 CA ASP A 664 -20.207 -7.535 7.878 1.00 22.15 C ATOM 90 C ASP A 664 -19.039 -8.102 7.050 1.00 32.11 C ATOM 91 O ASP A 664 -18.435 -9.119 7.401 1.00 0.22 O ATOM 92 CB ASP A 664 -19.694 -6.974 9.212 1.00 61.50 C ATOM 93 CG ASP A 664 -18.546 -5.983 9.050 1.00 40.23 C ATOM 94 OD1 ASP A 664 -18.423 -5.344 7.981 1.00 43.33 O ATOM 95 OD2 ASP A 664 -17.742 -5.850 9.988 1.00 24.22 O ATOM 0 HA ASP A 664 -20.656 -6.730 7.296 1.00 22.15 H new ATOM 0 HB2 ASP A 664 -20.517 -6.484 9.732 1.00 61.50 H new ATOM 0 HB3 ASP A 664 -19.365 -7.800 9.843 1.00 61.50 H new ATOM 100 N LEU A 665 -18.720 -7.417 5.958 1.00 74.32 N ATOM 101 CA LEU A 665 -17.620 -7.805 5.073 1.00 30.03 C ATOM 102 C LEU A 665 -16.334 -7.033 5.413 1.00 14.21 C ATOM 103 O LEU A 665 -16.371 -5.842 5.734 1.00 23.03 O ATOM 104 CB LEU A 665 -18.009 -7.569 3.608 1.00 52.14 C ATOM 105 CG LEU A 665 -19.205 -8.399 3.105 1.00 43.31 C ATOM 106 CD1 LEU A 665 -19.497 -8.092 1.639 1.00 31.41 C ATOM 107 CD2 LEU A 665 -18.948 -9.892 3.301 1.00 40.15 C ATOM 0 H LEU A 665 -19.214 -6.577 5.658 1.00 74.32 H new ATOM 0 HA LEU A 665 -17.425 -8.867 5.222 1.00 30.03 H new ATOM 0 HB2 LEU A 665 -18.240 -6.512 3.476 1.00 52.14 H new ATOM 0 HB3 LEU A 665 -17.146 -7.788 2.980 1.00 52.14 H new ATOM 0 HG LEU A 665 -20.081 -8.123 3.693 1.00 43.31 H new ATOM 0 HD11 LEU A 665 -20.345 -8.689 1.304 1.00 31.41 H new ATOM 0 HD12 LEU A 665 -19.732 -7.033 1.529 1.00 31.41 H new ATOM 0 HD13 LEU A 665 -18.622 -8.334 1.035 1.00 31.41 H new ATOM 0 HD21 LEU A 665 -19.805 -10.459 2.939 1.00 40.15 H new ATOM 0 HD22 LEU A 665 -18.058 -10.184 2.744 1.00 40.15 H new ATOM 0 HD23 LEU A 665 -18.797 -10.099 4.360 1.00 40.15 H new ATOM 119 N GLU A 666 -15.208 -7.740 5.397 1.00 33.54 N ATOM 120 CA GLU A 666 -13.891 -7.120 5.594 1.00 71.03 C ATOM 121 C GLU A 666 -13.372 -6.504 4.280 1.00 23.23 C ATOM 122 O GLU A 666 -13.528 -7.091 3.204 1.00 15.23 O ATOM 123 CB GLU A 666 -12.870 -8.134 6.162 1.00 63.20 C ATOM 124 CG GLU A 666 -12.694 -9.415 5.343 1.00 41.12 C ATOM 125 CD GLU A 666 -13.884 -10.357 5.445 1.00 23.31 C ATOM 126 OE1 GLU A 666 -14.034 -11.026 6.490 1.00 32.32 O ATOM 127 OE2 GLU A 666 -14.688 -10.413 4.495 1.00 32.14 O ATOM 0 H GLU A 666 -15.176 -8.749 5.249 1.00 33.54 H new ATOM 0 HA GLU A 666 -14.009 -6.320 6.325 1.00 71.03 H new ATOM 0 HB2 GLU A 666 -11.902 -7.641 6.246 1.00 63.20 H new ATOM 0 HB3 GLU A 666 -13.178 -8.407 7.171 1.00 63.20 H new ATOM 0 HG2 GLU A 666 -12.535 -9.152 4.297 1.00 41.12 H new ATOM 0 HG3 GLU A 666 -11.797 -9.934 5.680 1.00 41.12 H new ATOM 134 N PRO A 667 -12.738 -5.315 4.353 1.00 71.24 N ATOM 135 CA PRO A 667 -12.350 -4.542 3.155 1.00 3.22 C ATOM 136 C PRO A 667 -11.279 -5.229 2.291 1.00 62.44 C ATOM 137 O PRO A 667 -10.308 -5.790 2.802 1.00 22.32 O ATOM 138 CB PRO A 667 -11.807 -3.228 3.741 1.00 53.14 C ATOM 139 CG PRO A 667 -11.376 -3.575 5.125 1.00 52.42 C ATOM 140 CD PRO A 667 -12.337 -4.632 5.598 1.00 62.54 C ATOM 0 HA PRO A 667 -13.195 -4.418 2.478 1.00 3.22 H new ATOM 0 HB2 PRO A 667 -10.973 -2.847 3.151 1.00 53.14 H new ATOM 0 HB3 PRO A 667 -12.573 -2.452 3.748 1.00 53.14 H new ATOM 0 HG2 PRO A 667 -10.351 -3.945 5.135 1.00 52.42 H new ATOM 0 HG3 PRO A 667 -11.405 -2.700 5.775 1.00 52.42 H new ATOM 0 HD2 PRO A 667 -11.864 -5.320 6.299 1.00 62.54 H new ATOM 0 HD3 PRO A 667 -13.194 -4.195 6.110 1.00 62.54 H new ATOM 148 N LYS A 668 -11.464 -5.164 0.976 1.00 43.54 N ATOM 149 CA LYS A 668 -10.505 -5.715 0.018 1.00 41.12 C ATOM 150 C LYS A 668 -9.359 -4.721 -0.239 1.00 21.34 C ATOM 151 O LYS A 668 -9.549 -3.690 -0.889 1.00 60.01 O ATOM 152 CB LYS A 668 -11.217 -6.056 -1.296 1.00 72.44 C ATOM 153 CG LYS A 668 -10.294 -6.638 -2.362 1.00 32.35 C ATOM 154 CD LYS A 668 -11.083 -7.257 -3.508 1.00 0.20 C ATOM 155 CE LYS A 668 -11.942 -6.231 -4.246 1.00 12.32 C ATOM 156 NZ LYS A 668 -11.126 -5.164 -4.885 1.00 1.41 N ATOM 0 H LYS A 668 -12.279 -4.730 0.543 1.00 43.54 H new ATOM 0 HA LYS A 668 -10.078 -6.626 0.438 1.00 41.12 H new ATOM 0 HB2 LYS A 668 -12.016 -6.769 -1.091 1.00 72.44 H new ATOM 0 HB3 LYS A 668 -11.687 -5.154 -1.688 1.00 72.44 H new ATOM 0 HG2 LYS A 668 -9.644 -5.853 -2.749 1.00 32.35 H new ATOM 0 HG3 LYS A 668 -9.649 -7.394 -1.913 1.00 32.35 H new ATOM 0 HD2 LYS A 668 -10.392 -7.722 -4.212 1.00 0.20 H new ATOM 0 HD3 LYS A 668 -11.722 -8.049 -3.119 1.00 0.20 H new ATOM 0 HE2 LYS A 668 -12.534 -6.738 -5.008 1.00 12.32 H new ATOM 0 HE3 LYS A 668 -12.644 -5.778 -3.546 1.00 12.32 H new ATOM 0 HZ1 LYS A 668 -11.736 -4.572 -5.483 1.00 1.41 H new ATOM 0 HZ2 LYS A 668 -10.686 -4.575 -4.149 1.00 1.41 H new ATOM 0 HZ3 LYS A 668 -10.384 -5.598 -5.470 1.00 1.41 H new ATOM 170 N LEU A 669 -8.176 -5.033 0.287 1.00 23.32 N ATOM 171 CA LEU A 669 -7.006 -4.160 0.144 1.00 5.25 C ATOM 172 C LEU A 669 -6.063 -4.671 -0.958 1.00 11.32 C ATOM 173 O LEU A 669 -5.452 -5.735 -0.832 1.00 51.32 O ATOM 174 CB LEU A 669 -6.260 -4.059 1.484 1.00 24.35 C ATOM 175 CG LEU A 669 -5.020 -3.146 1.488 1.00 63.24 C ATOM 176 CD1 LEU A 669 -5.392 -1.713 1.110 1.00 74.53 C ATOM 177 CD2 LEU A 669 -4.329 -3.181 2.852 1.00 42.54 C ATOM 0 H LEU A 669 -7.999 -5.886 0.818 1.00 23.32 H new ATOM 0 HA LEU A 669 -7.352 -3.168 -0.147 1.00 5.25 H new ATOM 0 HB2 LEU A 669 -6.957 -3.699 2.241 1.00 24.35 H new ATOM 0 HB3 LEU A 669 -5.953 -5.061 1.785 1.00 24.35 H new ATOM 0 HG LEU A 669 -4.323 -3.522 0.739 1.00 63.24 H new ATOM 0 HD11 LEU A 669 -4.498 -1.090 1.121 1.00 74.53 H new ATOM 0 HD12 LEU A 669 -5.830 -1.702 0.112 1.00 74.53 H new ATOM 0 HD13 LEU A 669 -6.114 -1.323 1.827 1.00 74.53 H new ATOM 0 HD21 LEU A 669 -3.455 -2.529 2.834 1.00 42.54 H new ATOM 0 HD22 LEU A 669 -5.022 -2.838 3.620 1.00 42.54 H new ATOM 0 HD23 LEU A 669 -4.016 -4.201 3.075 1.00 42.54 H new ATOM 189 N THR A 670 -5.961 -3.914 -2.046 1.00 43.55 N ATOM 190 CA THR A 670 -5.089 -4.279 -3.169 1.00 53.43 C ATOM 191 C THR A 670 -3.709 -3.625 -3.032 1.00 32.40 C ATOM 192 O THR A 670 -3.572 -2.405 -3.140 1.00 3.12 O ATOM 193 CB THR A 670 -5.718 -3.887 -4.530 1.00 12.12 C ATOM 194 OG1 THR A 670 -6.977 -4.566 -4.701 1.00 43.44 O ATOM 195 CG2 THR A 670 -4.791 -4.231 -5.698 1.00 45.32 C ATOM 0 H THR A 670 -6.471 -3.041 -2.179 1.00 43.55 H new ATOM 0 HA THR A 670 -4.972 -5.362 -3.141 1.00 53.43 H new ATOM 0 HB THR A 670 -5.875 -2.808 -4.526 1.00 12.12 H new ATOM 0 HG1 THR A 670 -7.371 -4.313 -5.562 1.00 43.44 H new ATOM 0 HG21 THR A 670 -5.265 -3.942 -6.636 1.00 45.32 H new ATOM 0 HG22 THR A 670 -3.850 -3.693 -5.586 1.00 45.32 H new ATOM 0 HG23 THR A 670 -4.597 -5.304 -5.705 1.00 45.32 H new ATOM 203 N VAL A 671 -2.698 -4.454 -2.785 1.00 64.40 N ATOM 204 CA VAL A 671 -1.316 -3.998 -2.587 1.00 34.14 C ATOM 205 C VAL A 671 -0.325 -4.916 -3.326 1.00 13.25 C ATOM 206 O VAL A 671 -0.474 -6.139 -3.305 1.00 24.30 O ATOM 207 CB VAL A 671 -0.952 -3.980 -1.076 1.00 11.22 C ATOM 208 CG1 VAL A 671 0.529 -3.674 -0.854 1.00 60.44 C ATOM 209 CG2 VAL A 671 -1.818 -2.979 -0.317 1.00 31.55 C ATOM 0 H VAL A 671 -2.810 -5.465 -2.715 1.00 64.40 H new ATOM 0 HA VAL A 671 -1.245 -2.988 -2.990 1.00 34.14 H new ATOM 0 HB VAL A 671 -1.150 -4.979 -0.687 1.00 11.22 H new ATOM 0 HG11 VAL A 671 0.744 -3.670 0.215 1.00 60.44 H new ATOM 0 HG12 VAL A 671 1.135 -4.436 -1.343 1.00 60.44 H new ATOM 0 HG13 VAL A 671 0.766 -2.697 -1.275 1.00 60.44 H new ATOM 0 HG21 VAL A 671 -1.543 -2.986 0.738 1.00 31.55 H new ATOM 0 HG22 VAL A 671 -1.663 -1.980 -0.726 1.00 31.55 H new ATOM 0 HG23 VAL A 671 -2.868 -3.254 -0.420 1.00 31.55 H new ATOM 219 N PRO A 672 0.691 -4.348 -4.004 1.00 12.20 N ATOM 220 CA PRO A 672 1.748 -5.147 -4.642 1.00 20.41 C ATOM 221 C PRO A 672 2.728 -5.736 -3.611 1.00 12.35 C ATOM 222 O PRO A 672 3.098 -5.073 -2.647 1.00 50.12 O ATOM 223 CB PRO A 672 2.451 -4.138 -5.559 1.00 35.53 C ATOM 224 CG PRO A 672 2.217 -2.809 -4.919 1.00 32.41 C ATOM 225 CD PRO A 672 0.885 -2.898 -4.217 1.00 65.53 C ATOM 0 HA PRO A 672 1.351 -6.011 -5.176 1.00 20.41 H new ATOM 0 HB2 PRO A 672 3.516 -4.355 -5.642 1.00 35.53 H new ATOM 0 HB3 PRO A 672 2.040 -4.168 -6.568 1.00 35.53 H new ATOM 0 HG2 PRO A 672 3.013 -2.574 -4.212 1.00 32.41 H new ATOM 0 HG3 PRO A 672 2.209 -2.015 -5.666 1.00 32.41 H new ATOM 0 HD2 PRO A 672 0.894 -2.353 -3.273 1.00 65.53 H new ATOM 0 HD3 PRO A 672 0.085 -2.473 -4.823 1.00 65.53 H new ATOM 233 N VAL A 673 3.141 -6.986 -3.814 1.00 13.24 N ATOM 234 CA VAL A 673 4.026 -7.674 -2.863 1.00 44.41 C ATOM 235 C VAL A 673 5.501 -7.256 -3.039 1.00 12.14 C ATOM 236 O VAL A 673 6.281 -7.261 -2.082 1.00 14.23 O ATOM 237 CB VAL A 673 3.898 -9.216 -2.995 1.00 61.15 C ATOM 238 CG1 VAL A 673 4.305 -9.682 -4.392 1.00 3.11 C ATOM 239 CG2 VAL A 673 4.715 -9.933 -1.916 1.00 71.14 C ATOM 0 H VAL A 673 2.880 -7.546 -4.626 1.00 13.24 H new ATOM 0 HA VAL A 673 3.706 -7.374 -1.865 1.00 44.41 H new ATOM 0 HB VAL A 673 2.850 -9.477 -2.847 1.00 61.15 H new ATOM 0 HG11 VAL A 673 4.206 -10.766 -4.457 1.00 3.11 H new ATOM 0 HG12 VAL A 673 3.659 -9.213 -5.134 1.00 3.11 H new ATOM 0 HG13 VAL A 673 5.341 -9.400 -4.582 1.00 3.11 H new ATOM 0 HG21 VAL A 673 4.606 -11.011 -2.034 1.00 71.14 H new ATOM 0 HG22 VAL A 673 5.766 -9.662 -2.015 1.00 71.14 H new ATOM 0 HG23 VAL A 673 4.355 -9.637 -0.931 1.00 71.14 H new ATOM 249 N GLY A 674 5.884 -6.894 -4.260 1.00 31.01 N ATOM 250 CA GLY A 674 7.258 -6.469 -4.518 1.00 52.51 C ATOM 251 C GLY A 674 7.401 -5.630 -5.781 1.00 23.31 C ATOM 252 O GLY A 674 6.743 -5.895 -6.792 1.00 41.53 O ATOM 0 H GLY A 674 5.273 -6.886 -5.077 1.00 31.01 H new ATOM 0 HA2 GLY A 674 7.620 -5.894 -3.665 1.00 52.51 H new ATOM 0 HA3 GLY A 674 7.894 -7.350 -4.601 1.00 52.51 H new ATOM 256 N ALA A 675 8.274 -4.627 -5.733 1.00 4.22 N ATOM 257 CA ALA A 675 8.482 -3.723 -6.868 1.00 4.14 C ATOM 258 C ALA A 675 9.960 -3.324 -7.014 1.00 24.12 C ATOM 259 O ALA A 675 10.552 -2.749 -6.100 1.00 50.41 O ATOM 260 CB ALA A 675 7.612 -2.479 -6.712 1.00 20.12 C ATOM 0 H ALA A 675 8.852 -4.417 -4.919 1.00 4.22 H new ATOM 0 HA ALA A 675 8.193 -4.254 -7.775 1.00 4.14 H new ATOM 0 HB1 ALA A 675 7.773 -1.813 -7.560 1.00 20.12 H new ATOM 0 HB2 ALA A 675 6.563 -2.771 -6.675 1.00 20.12 H new ATOM 0 HB3 ALA A 675 7.878 -1.963 -5.790 1.00 20.12 H new ATOM 266 N THR A 676 10.550 -3.624 -8.168 1.00 65.14 N ATOM 267 CA THR A 676 11.953 -3.279 -8.437 1.00 25.54 C ATOM 268 C THR A 676 12.050 -2.030 -9.324 1.00 72.23 C ATOM 269 O THR A 676 11.570 -2.025 -10.455 1.00 24.15 O ATOM 270 CB THR A 676 12.696 -4.448 -9.138 1.00 13.13 C ATOM 271 OG1 THR A 676 12.602 -5.646 -8.347 1.00 74.14 O ATOM 272 CG2 THR A 676 14.168 -4.110 -9.369 1.00 64.01 C ATOM 0 H THR A 676 10.082 -4.106 -8.936 1.00 65.14 H new ATOM 0 HA THR A 676 12.423 -3.081 -7.474 1.00 25.54 H new ATOM 0 HB THR A 676 12.219 -4.609 -10.105 1.00 13.13 H new ATOM 0 HG1 THR A 676 13.073 -6.376 -8.801 1.00 74.14 H new ATOM 0 HG21 THR A 676 14.661 -4.948 -9.861 1.00 64.01 H new ATOM 0 HG22 THR A 676 14.243 -3.224 -9.999 1.00 64.01 H new ATOM 0 HG23 THR A 676 14.651 -3.916 -8.411 1.00 64.01 H new ATOM 280 N ILE A 677 12.677 -0.972 -8.813 1.00 33.25 N ATOM 281 CA ILE A 677 12.824 0.282 -9.566 1.00 54.21 C ATOM 282 C ILE A 677 14.297 0.710 -9.657 1.00 25.33 C ATOM 283 O ILE A 677 15.184 0.057 -9.107 1.00 50.13 O ATOM 284 CB ILE A 677 11.988 1.434 -8.942 1.00 34.03 C ATOM 285 CG1 ILE A 677 12.458 1.741 -7.508 1.00 34.05 C ATOM 286 CG2 ILE A 677 10.497 1.087 -8.962 1.00 51.41 C ATOM 287 CD1 ILE A 677 11.699 2.872 -6.839 1.00 21.04 C ATOM 0 H ILE A 677 13.093 -0.953 -7.882 1.00 33.25 H new ATOM 0 HA ILE A 677 12.447 0.086 -10.570 1.00 54.21 H new ATOM 0 HB ILE A 677 12.140 2.330 -9.544 1.00 34.03 H new ATOM 0 HG12 ILE A 677 12.356 0.840 -6.902 1.00 34.05 H new ATOM 0 HG13 ILE A 677 13.519 1.992 -7.530 1.00 34.05 H new ATOM 0 HG21 ILE A 677 9.927 1.905 -8.521 1.00 51.41 H new ATOM 0 HG22 ILE A 677 10.173 0.932 -9.991 1.00 51.41 H new ATOM 0 HG23 ILE A 677 10.328 0.176 -8.388 1.00 51.41 H new ATOM 0 HD11 ILE A 677 12.089 3.027 -5.833 1.00 21.04 H new ATOM 0 HD12 ILE A 677 11.821 3.786 -7.420 1.00 21.04 H new ATOM 0 HD13 ILE A 677 10.641 2.617 -6.783 1.00 21.04 H new ATOM 299 N HIS A 678 14.553 1.802 -10.371 1.00 22.32 N ATOM 300 CA HIS A 678 15.913 2.325 -10.532 1.00 1.30 C ATOM 301 C HIS A 678 16.060 3.725 -9.921 1.00 0.32 C ATOM 302 O HIS A 678 15.078 4.444 -9.733 1.00 34.54 O ATOM 303 CB HIS A 678 16.298 2.369 -12.018 1.00 12.35 C ATOM 304 CG HIS A 678 16.381 1.018 -12.659 1.00 63.42 C ATOM 305 ND1 HIS A 678 15.400 0.504 -13.475 1.00 21.44 N ATOM 306 CD2 HIS A 678 17.354 0.079 -12.609 1.00 41.31 C ATOM 307 CE1 HIS A 678 15.762 -0.688 -13.902 1.00 60.45 C ATOM 308 NE2 HIS A 678 16.945 -0.972 -13.392 1.00 24.11 N ATOM 0 H HIS A 678 13.836 2.346 -10.850 1.00 22.32 H new ATOM 0 HA HIS A 678 16.584 1.650 -10.001 1.00 1.30 H new ATOM 0 HB2 HIS A 678 15.567 2.972 -12.556 1.00 12.35 H new ATOM 0 HB3 HIS A 678 17.261 2.870 -12.120 1.00 12.35 H new ATOM 0 HD2 HIS A 678 18.280 0.144 -12.056 1.00 41.31 H new ATOM 0 HE1 HIS A 678 15.188 -1.325 -14.558 1.00 60.45 H new ATOM 0 HE2 HIS A 678 17.470 -1.832 -13.553 1.00 24.11 H new ATOM 317 N VAL A 679 17.295 4.097 -9.603 1.00 2.31 N ATOM 318 CA VAL A 679 17.599 5.445 -9.128 1.00 22.32 C ATOM 319 C VAL A 679 17.147 6.493 -10.156 1.00 14.52 C ATOM 320 O VAL A 679 17.645 6.527 -11.278 1.00 11.40 O ATOM 321 CB VAL A 679 19.114 5.611 -8.847 1.00 51.41 C ATOM 322 CG1 VAL A 679 19.440 7.043 -8.428 1.00 70.34 C ATOM 323 CG2 VAL A 679 19.574 4.617 -7.781 1.00 4.03 C ATOM 0 H VAL A 679 18.106 3.482 -9.665 1.00 2.31 H new ATOM 0 HA VAL A 679 17.054 5.598 -8.196 1.00 22.32 H new ATOM 0 HB VAL A 679 19.655 5.401 -9.770 1.00 51.41 H new ATOM 0 HG11 VAL A 679 20.509 7.132 -8.237 1.00 70.34 H new ATOM 0 HG12 VAL A 679 19.156 7.729 -9.226 1.00 70.34 H new ATOM 0 HG13 VAL A 679 18.888 7.292 -7.522 1.00 70.34 H new ATOM 0 HG21 VAL A 679 20.640 4.748 -7.597 1.00 4.03 H new ATOM 0 HG22 VAL A 679 19.022 4.792 -6.858 1.00 4.03 H new ATOM 0 HG23 VAL A 679 19.388 3.600 -8.127 1.00 4.03 H new ATOM 333 N GLY A 680 16.194 7.330 -9.765 1.00 31.13 N ATOM 334 CA GLY A 680 15.616 8.303 -10.685 1.00 55.43 C ATOM 335 C GLY A 680 14.123 8.078 -10.919 1.00 10.50 C ATOM 336 O GLY A 680 13.402 9.002 -11.309 1.00 13.01 O ATOM 0 H GLY A 680 15.806 7.355 -8.822 1.00 31.13 H new ATOM 0 HA2 GLY A 680 15.770 9.307 -10.290 1.00 55.43 H new ATOM 0 HA3 GLY A 680 16.141 8.252 -11.639 1.00 55.43 H new ATOM 340 N ASP A 681 13.660 6.848 -10.675 1.00 73.34 N ATOM 341 CA ASP A 681 12.244 6.494 -10.831 1.00 10.52 C ATOM 342 C ASP A 681 11.328 7.277 -9.876 1.00 15.20 C ATOM 343 O ASP A 681 11.728 7.674 -8.780 1.00 32.51 O ATOM 344 CB ASP A 681 12.035 4.988 -10.605 1.00 71.41 C ATOM 345 CG ASP A 681 12.130 4.179 -11.885 1.00 42.44 C ATOM 346 OD1 ASP A 681 11.144 4.167 -12.649 1.00 63.54 O ATOM 347 OD2 ASP A 681 13.174 3.548 -12.130 1.00 1.51 O ATOM 0 H ASP A 681 14.250 6.075 -10.366 1.00 73.34 H new ATOM 0 HA ASP A 681 11.972 6.762 -11.852 1.00 10.52 H new ATOM 0 HB2 ASP A 681 12.780 4.626 -9.896 1.00 71.41 H new ATOM 0 HB3 ASP A 681 11.057 4.826 -10.151 1.00 71.41 H new ATOM 352 N SER A 682 10.097 7.500 -10.323 1.00 50.44 N ATOM 353 CA SER A 682 9.034 8.060 -9.477 1.00 44.11 C ATOM 354 C SER A 682 8.257 6.932 -8.789 1.00 4.24 C ATOM 355 O SER A 682 8.079 5.856 -9.367 1.00 31.55 O ATOM 356 CB SER A 682 8.065 8.900 -10.323 1.00 24.15 C ATOM 357 OG SER A 682 7.372 8.098 -11.277 1.00 15.54 O ATOM 0 H SER A 682 9.802 7.300 -11.279 1.00 50.44 H new ATOM 0 HA SER A 682 9.496 8.696 -8.722 1.00 44.11 H new ATOM 0 HB2 SER A 682 7.345 9.394 -9.670 1.00 24.15 H new ATOM 0 HB3 SER A 682 8.618 9.685 -10.839 1.00 24.15 H new ATOM 0 HG SER A 682 6.763 8.662 -11.797 1.00 15.54 H new ATOM 363 N PHE A 683 7.791 7.166 -7.565 1.00 24.12 N ATOM 364 CA PHE A 683 7.056 6.139 -6.820 1.00 14.41 C ATOM 365 C PHE A 683 6.029 6.762 -5.858 1.00 40.33 C ATOM 366 O PHE A 683 6.392 7.408 -4.876 1.00 13.53 O ATOM 367 CB PHE A 683 8.043 5.253 -6.041 1.00 1.20 C ATOM 368 CG PHE A 683 7.409 4.031 -5.419 1.00 14.24 C ATOM 369 CD1 PHE A 683 7.313 2.840 -6.131 1.00 23.20 C ATOM 370 CD2 PHE A 683 6.903 4.073 -4.127 1.00 25.44 C ATOM 371 CE1 PHE A 683 6.728 1.723 -5.566 1.00 72.11 C ATOM 372 CE2 PHE A 683 6.317 2.958 -3.561 1.00 74.53 C ATOM 373 CZ PHE A 683 6.228 1.782 -4.281 1.00 15.30 C ATOM 0 H PHE A 683 7.906 8.049 -7.068 1.00 24.12 H new ATOM 0 HA PHE A 683 6.508 5.529 -7.538 1.00 14.41 H new ATOM 0 HB2 PHE A 683 8.839 4.935 -6.714 1.00 1.20 H new ATOM 0 HB3 PHE A 683 8.509 5.848 -5.256 1.00 1.20 H new ATOM 0 HD1 PHE A 683 7.700 2.788 -7.138 1.00 23.20 H new ATOM 0 HD2 PHE A 683 6.968 4.988 -3.558 1.00 25.44 H new ATOM 0 HE1 PHE A 683 6.662 0.804 -6.130 1.00 72.11 H new ATOM 0 HE2 PHE A 683 5.928 3.005 -2.555 1.00 74.53 H new ATOM 0 HZ PHE A 683 5.768 0.911 -3.839 1.00 15.30 H new ATOM 383 N VAL A 684 4.742 6.560 -6.146 1.00 61.02 N ATOM 384 CA VAL A 684 3.661 7.080 -5.296 1.00 14.13 C ATOM 385 C VAL A 684 2.851 5.932 -4.659 1.00 51.53 C ATOM 386 O VAL A 684 1.960 5.354 -5.293 1.00 11.10 O ATOM 387 CB VAL A 684 2.706 8.000 -6.101 1.00 22.31 C ATOM 388 CG1 VAL A 684 1.594 8.553 -5.208 1.00 73.15 C ATOM 389 CG2 VAL A 684 3.485 9.131 -6.776 1.00 11.20 C ATOM 0 H VAL A 684 4.419 6.040 -6.962 1.00 61.02 H new ATOM 0 HA VAL A 684 4.130 7.664 -4.504 1.00 14.13 H new ATOM 0 HB VAL A 684 2.237 7.401 -6.882 1.00 22.31 H new ATOM 0 HG11 VAL A 684 0.939 9.195 -5.798 1.00 73.15 H new ATOM 0 HG12 VAL A 684 1.016 7.727 -4.793 1.00 73.15 H new ATOM 0 HG13 VAL A 684 2.034 9.132 -4.396 1.00 73.15 H new ATOM 0 HG21 VAL A 684 2.796 9.764 -7.335 1.00 11.20 H new ATOM 0 HG22 VAL A 684 3.991 9.727 -6.017 1.00 11.20 H new ATOM 0 HG23 VAL A 684 4.223 8.708 -7.457 1.00 11.20 H new ATOM 399 N PRO A 685 3.140 5.585 -3.384 1.00 1.52 N ATOM 400 CA PRO A 685 2.471 4.464 -2.691 1.00 51.21 C ATOM 401 C PRO A 685 0.955 4.683 -2.507 1.00 74.34 C ATOM 402 O PRO A 685 0.187 3.727 -2.414 1.00 44.41 O ATOM 403 CB PRO A 685 3.186 4.403 -1.329 1.00 13.10 C ATOM 404 CG PRO A 685 3.775 5.762 -1.142 1.00 50.32 C ATOM 405 CD PRO A 685 4.135 6.252 -2.521 1.00 45.43 C ATOM 0 HA PRO A 685 2.541 3.540 -3.265 1.00 51.21 H new ATOM 0 HB2 PRO A 685 2.488 4.161 -0.527 1.00 13.10 H new ATOM 0 HB3 PRO A 685 3.958 3.634 -1.322 1.00 13.10 H new ATOM 0 HG2 PRO A 685 3.062 6.434 -0.663 1.00 50.32 H new ATOM 0 HG3 PRO A 685 4.655 5.721 -0.500 1.00 50.32 H new ATOM 0 HD2 PRO A 685 4.068 7.338 -2.593 1.00 45.43 H new ATOM 0 HD3 PRO A 685 5.154 5.977 -2.793 1.00 45.43 H new ATOM 413 N MET A 686 0.529 5.946 -2.469 1.00 74.22 N ATOM 414 CA MET A 686 -0.896 6.283 -2.307 1.00 73.24 C ATOM 415 C MET A 686 -1.638 6.338 -3.652 1.00 3.10 C ATOM 416 O MET A 686 -2.776 6.804 -3.726 1.00 14.30 O ATOM 417 CB MET A 686 -1.041 7.617 -1.561 1.00 42.22 C ATOM 418 CG MET A 686 -0.631 7.554 -0.091 1.00 21.53 C ATOM 419 SD MET A 686 -1.998 7.145 1.029 1.00 32.10 S ATOM 420 CE MET A 686 -2.522 5.531 0.444 1.00 64.23 C ATOM 0 H MET A 686 1.145 6.755 -2.548 1.00 74.22 H new ATOM 0 HA MET A 686 -1.355 5.488 -1.720 1.00 73.24 H new ATOM 0 HB2 MET A 686 -0.436 8.371 -2.064 1.00 42.22 H new ATOM 0 HB3 MET A 686 -2.078 7.946 -1.625 1.00 42.22 H new ATOM 0 HG2 MET A 686 0.158 6.811 0.026 1.00 21.53 H new ATOM 0 HG3 MET A 686 -0.209 8.515 0.201 1.00 21.53 H new ATOM 0 HE1 MET A 686 -3.114 5.039 1.216 1.00 64.23 H new ATOM 0 HE2 MET A 686 -3.125 5.648 -0.456 1.00 64.23 H new ATOM 0 HE3 MET A 686 -1.646 4.924 0.217 1.00 64.23 H new ATOM 430 N ALA A 687 -0.991 5.862 -4.712 1.00 23.14 N ATOM 431 CA ALA A 687 -1.621 5.774 -6.035 1.00 20.40 C ATOM 432 C ALA A 687 -1.673 4.324 -6.535 1.00 21.31 C ATOM 433 O ALA A 687 -2.603 3.931 -7.240 1.00 42.22 O ATOM 434 CB ALA A 687 -0.875 6.656 -7.032 1.00 71.32 C ATOM 0 H ALA A 687 -0.027 5.529 -4.685 1.00 23.14 H new ATOM 0 HA ALA A 687 -2.647 6.130 -5.945 1.00 20.40 H new ATOM 0 HB1 ALA A 687 -1.351 6.583 -8.010 1.00 71.32 H new ATOM 0 HB2 ALA A 687 -0.901 7.691 -6.692 1.00 71.32 H new ATOM 0 HB3 ALA A 687 0.161 6.325 -7.107 1.00 71.32 H new ATOM 440 N GLU A 688 -0.671 3.526 -6.161 1.00 71.14 N ATOM 441 CA GLU A 688 -0.590 2.122 -6.592 1.00 53.44 C ATOM 442 C GLU A 688 -1.284 1.164 -5.600 1.00 54.42 C ATOM 443 O GLU A 688 -1.158 -0.056 -5.710 1.00 75.14 O ATOM 444 CB GLU A 688 0.881 1.717 -6.788 1.00 21.13 C ATOM 445 CG GLU A 688 1.597 2.529 -7.866 1.00 12.33 C ATOM 446 CD GLU A 688 3.035 2.084 -8.095 1.00 43.34 C ATOM 447 OE1 GLU A 688 3.239 0.984 -8.655 1.00 11.21 O ATOM 448 OE2 GLU A 688 3.964 2.843 -7.742 1.00 13.40 O ATOM 0 H GLU A 688 0.098 3.825 -5.561 1.00 71.14 H new ATOM 0 HA GLU A 688 -1.120 2.039 -7.541 1.00 53.44 H new ATOM 0 HB2 GLU A 688 1.411 1.835 -5.843 1.00 21.13 H new ATOM 0 HB3 GLU A 688 0.927 0.660 -7.050 1.00 21.13 H new ATOM 0 HG2 GLU A 688 1.044 2.446 -8.802 1.00 12.33 H new ATOM 0 HG3 GLU A 688 1.590 3.582 -7.584 1.00 12.33 H new ATOM 455 N VAL A 689 -2.012 1.725 -4.635 1.00 64.41 N ATOM 456 CA VAL A 689 -2.778 0.933 -3.658 1.00 30.14 C ATOM 457 C VAL A 689 -4.258 1.366 -3.637 1.00 53.23 C ATOM 458 O VAL A 689 -4.561 2.559 -3.688 1.00 21.44 O ATOM 459 CB VAL A 689 -2.178 1.066 -2.232 1.00 73.42 C ATOM 460 CG1 VAL A 689 -3.018 0.307 -1.205 1.00 32.11 C ATOM 461 CG2 VAL A 689 -0.728 0.580 -2.211 1.00 5.41 C ATOM 0 H VAL A 689 -2.091 2.733 -4.504 1.00 64.41 H new ATOM 0 HA VAL A 689 -2.717 -0.110 -3.968 1.00 30.14 H new ATOM 0 HB VAL A 689 -2.192 2.121 -1.959 1.00 73.42 H new ATOM 0 HG11 VAL A 689 -2.573 0.419 -0.216 1.00 32.11 H new ATOM 0 HG12 VAL A 689 -4.031 0.710 -1.194 1.00 32.11 H new ATOM 0 HG13 VAL A 689 -3.050 -0.750 -1.471 1.00 32.11 H new ATOM 0 HG21 VAL A 689 -0.325 0.681 -1.203 1.00 5.41 H new ATOM 0 HG22 VAL A 689 -0.691 -0.467 -2.513 1.00 5.41 H new ATOM 0 HG23 VAL A 689 -0.134 1.179 -2.901 1.00 5.41 H new ATOM 471 N LEU A 690 -5.173 0.398 -3.545 1.00 11.21 N ATOM 472 CA LEU A 690 -6.620 0.684 -3.602 1.00 5.15 C ATOM 473 C LEU A 690 -7.407 -0.230 -2.635 1.00 61.52 C ATOM 474 O LEU A 690 -7.205 -1.446 -2.614 1.00 1.15 O ATOM 475 CB LEU A 690 -7.113 0.492 -5.055 1.00 73.20 C ATOM 476 CG LEU A 690 -8.318 1.349 -5.496 1.00 11.01 C ATOM 477 CD1 LEU A 690 -8.595 1.156 -6.985 1.00 52.50 C ATOM 478 CD2 LEU A 690 -9.565 1.019 -4.684 1.00 65.13 C ATOM 0 H LEU A 690 -4.945 -0.590 -3.431 1.00 11.21 H new ATOM 0 HA LEU A 690 -6.793 1.714 -3.290 1.00 5.15 H new ATOM 0 HB2 LEU A 690 -6.281 0.703 -5.727 1.00 73.20 H new ATOM 0 HB3 LEU A 690 -7.374 -0.558 -5.190 1.00 73.20 H new ATOM 0 HG LEU A 690 -8.064 2.393 -5.314 1.00 11.01 H new ATOM 0 HD11 LEU A 690 -9.448 1.768 -7.279 1.00 52.50 H new ATOM 0 HD12 LEU A 690 -7.719 1.455 -7.560 1.00 52.50 H new ATOM 0 HD13 LEU A 690 -8.816 0.107 -7.181 1.00 52.50 H new ATOM 0 HD21 LEU A 690 -10.394 1.641 -5.021 1.00 65.13 H new ATOM 0 HD22 LEU A 690 -9.821 -0.032 -4.821 1.00 65.13 H new ATOM 0 HD23 LEU A 690 -9.373 1.211 -3.628 1.00 65.13 H new ATOM 490 N ALA A 691 -8.322 0.353 -1.849 1.00 33.33 N ATOM 491 CA ALA A 691 -9.104 -0.411 -0.857 1.00 22.43 C ATOM 492 C ALA A 691 -10.621 -0.204 -1.018 1.00 63.33 C ATOM 493 O ALA A 691 -11.115 0.926 -0.996 1.00 62.24 O ATOM 494 CB ALA A 691 -8.674 -0.030 0.555 1.00 13.31 C ATOM 0 H ALA A 691 -8.541 1.349 -1.878 1.00 33.33 H new ATOM 0 HA ALA A 691 -8.901 -1.467 -1.032 1.00 22.43 H new ATOM 0 HB1 ALA A 691 -9.257 -0.599 1.279 1.00 13.31 H new ATOM 0 HB2 ALA A 691 -7.615 -0.253 0.686 1.00 13.31 H new ATOM 0 HB3 ALA A 691 -8.842 1.036 0.711 1.00 13.31 H new ATOM 500 N ILE A 692 -11.360 -1.308 -1.157 1.00 75.21 N ATOM 501 CA ILE A 692 -12.822 -1.263 -1.340 1.00 23.50 C ATOM 502 C ILE A 692 -13.543 -2.286 -0.442 1.00 4.31 C ATOM 503 O ILE A 692 -13.154 -3.451 -0.386 1.00 40.40 O ATOM 504 CB ILE A 692 -13.219 -1.570 -2.814 1.00 24.44 C ATOM 505 CG1 ILE A 692 -12.563 -0.583 -3.797 1.00 33.13 C ATOM 506 CG2 ILE A 692 -14.741 -1.553 -2.979 1.00 20.44 C ATOM 507 CD1 ILE A 692 -13.015 0.852 -3.630 1.00 4.33 C ATOM 0 H ILE A 692 -10.972 -2.251 -1.147 1.00 75.21 H new ATOM 0 HA ILE A 692 -13.127 -0.252 -1.069 1.00 23.50 H new ATOM 0 HB ILE A 692 -12.851 -2.569 -3.050 1.00 24.44 H new ATOM 0 HG12 ILE A 692 -11.481 -0.628 -3.672 1.00 33.13 H new ATOM 0 HG13 ILE A 692 -12.780 -0.904 -4.816 1.00 33.13 H new ATOM 0 HG21 ILE A 692 -14.997 -1.770 -4.016 1.00 20.44 H new ATOM 0 HG22 ILE A 692 -15.186 -2.307 -2.330 1.00 20.44 H new ATOM 0 HG23 ILE A 692 -15.125 -0.570 -2.708 1.00 20.44 H new ATOM 0 HD11 ILE A 692 -12.506 1.481 -4.360 1.00 4.33 H new ATOM 0 HD12 ILE A 692 -14.092 0.915 -3.786 1.00 4.33 H new ATOM 0 HD13 ILE A 692 -12.773 1.195 -2.624 1.00 4.33 H new ATOM 519 N ASP A 693 -14.590 -1.847 0.258 1.00 63.10 N ATOM 520 CA ASP A 693 -15.498 -2.774 0.950 1.00 42.33 C ATOM 521 C ASP A 693 -16.841 -2.819 0.202 1.00 12.42 C ATOM 522 O ASP A 693 -17.440 -1.782 -0.079 1.00 52.22 O ATOM 523 CB ASP A 693 -15.715 -2.358 2.419 1.00 11.34 C ATOM 524 CG ASP A 693 -16.449 -3.413 3.253 1.00 43.53 C ATOM 525 OD1 ASP A 693 -17.105 -4.301 2.671 1.00 53.45 O ATOM 526 OD2 ASP A 693 -16.380 -3.351 4.503 1.00 53.52 O ATOM 0 H ASP A 693 -14.833 -0.862 0.363 1.00 63.10 H new ATOM 0 HA ASP A 693 -15.046 -3.766 0.955 1.00 42.33 H new ATOM 0 HB2 ASP A 693 -14.747 -2.154 2.877 1.00 11.34 H new ATOM 0 HB3 ASP A 693 -16.282 -1.428 2.444 1.00 11.34 H new ATOM 531 N LYS A 694 -17.311 -4.025 -0.095 1.00 62.24 N ATOM 532 CA LYS A 694 -18.503 -4.222 -0.928 1.00 13.14 C ATOM 533 C LYS A 694 -19.759 -3.572 -0.317 1.00 0.34 C ATOM 534 O LYS A 694 -20.664 -3.155 -1.041 1.00 44.45 O ATOM 535 CB LYS A 694 -18.730 -5.723 -1.145 1.00 53.51 C ATOM 536 CG LYS A 694 -19.899 -6.050 -2.071 1.00 31.11 C ATOM 537 CD LYS A 694 -19.930 -7.535 -2.427 1.00 43.31 C ATOM 538 CE LYS A 694 -21.070 -7.877 -3.380 1.00 63.40 C ATOM 539 NZ LYS A 694 -20.939 -9.256 -3.921 1.00 4.13 N ATOM 0 H LYS A 694 -16.883 -4.892 0.230 1.00 62.24 H new ATOM 0 HA LYS A 694 -18.327 -3.730 -1.885 1.00 13.14 H new ATOM 0 HB2 LYS A 694 -17.821 -6.161 -1.557 1.00 53.51 H new ATOM 0 HB3 LYS A 694 -18.903 -6.197 -0.179 1.00 53.51 H new ATOM 0 HG2 LYS A 694 -20.836 -5.770 -1.589 1.00 31.11 H new ATOM 0 HG3 LYS A 694 -19.820 -5.457 -2.982 1.00 31.11 H new ATOM 0 HD2 LYS A 694 -18.981 -7.817 -2.883 1.00 43.31 H new ATOM 0 HD3 LYS A 694 -20.033 -8.123 -1.515 1.00 43.31 H new ATOM 0 HE2 LYS A 694 -22.022 -7.780 -2.858 1.00 63.40 H new ATOM 0 HE3 LYS A 694 -21.083 -7.163 -4.203 1.00 63.40 H new ATOM 0 HZ1 LYS A 694 -21.732 -9.453 -4.565 1.00 4.13 H new ATOM 0 HZ2 LYS A 694 -20.042 -9.342 -4.440 1.00 4.13 H new ATOM 0 HZ3 LYS A 694 -20.952 -9.939 -3.137 1.00 4.13 H new ATOM 553 N GLU A 695 -19.805 -3.477 1.008 1.00 72.44 N ATOM 554 CA GLU A 695 -20.954 -2.881 1.707 1.00 4.22 C ATOM 555 C GLU A 695 -20.915 -1.339 1.668 1.00 32.20 C ATOM 556 O GLU A 695 -21.921 -0.685 1.381 1.00 33.12 O ATOM 557 CB GLU A 695 -20.966 -3.354 3.169 1.00 34.25 C ATOM 558 CG GLU A 695 -19.754 -2.871 3.953 1.00 25.41 C ATOM 559 CD GLU A 695 -19.649 -3.452 5.344 1.00 50.40 C ATOM 560 OE1 GLU A 695 -19.536 -4.682 5.470 1.00 10.32 O ATOM 561 OE2 GLU A 695 -19.596 -2.681 6.317 1.00 74.40 O ATOM 0 H GLU A 695 -19.062 -3.804 1.626 1.00 72.44 H new ATOM 0 HA GLU A 695 -21.860 -3.206 1.195 1.00 4.22 H new ATOM 0 HB2 GLU A 695 -21.874 -2.996 3.655 1.00 34.25 H new ATOM 0 HB3 GLU A 695 -20.999 -4.443 3.194 1.00 34.25 H new ATOM 0 HG2 GLU A 695 -18.851 -3.122 3.397 1.00 25.41 H new ATOM 0 HG3 GLU A 695 -19.791 -1.784 4.026 1.00 25.41 H new ATOM 568 N ASP A 696 -19.741 -0.770 1.950 1.00 74.11 N ATOM 569 CA ASP A 696 -19.589 0.681 2.126 1.00 5.10 C ATOM 570 C ASP A 696 -19.165 1.365 0.816 1.00 2.13 C ATOM 571 O ASP A 696 -19.753 2.370 0.404 1.00 44.33 O ATOM 572 CB ASP A 696 -18.554 0.949 3.232 1.00 33.21 C ATOM 573 CG ASP A 696 -18.609 2.373 3.764 1.00 55.52 C ATOM 574 OD1 ASP A 696 -18.044 3.285 3.120 1.00 60.24 O ATOM 575 OD2 ASP A 696 -19.224 2.591 4.831 1.00 22.53 O ATOM 0 H ASP A 696 -18.874 -1.295 2.063 1.00 74.11 H new ATOM 0 HA ASP A 696 -20.553 1.101 2.414 1.00 5.10 H new ATOM 0 HB2 ASP A 696 -18.720 0.253 4.054 1.00 33.21 H new ATOM 0 HB3 ASP A 696 -17.555 0.750 2.843 1.00 33.21 H new ATOM 580 N GLY A 697 -18.145 0.811 0.166 1.00 61.51 N ATOM 581 CA GLY A 697 -17.622 1.388 -1.065 1.00 71.44 C ATOM 582 C GLY A 697 -16.131 1.694 -0.992 1.00 23.22 C ATOM 583 O GLY A 697 -15.334 0.853 -0.564 1.00 63.12 O ATOM 0 H GLY A 697 -17.666 -0.036 0.472 1.00 61.51 H new ATOM 0 HA2 GLY A 697 -17.806 0.699 -1.890 1.00 71.44 H new ATOM 0 HA3 GLY A 697 -18.165 2.306 -1.289 1.00 71.44 H new ATOM 587 N ASP A 698 -15.750 2.896 -1.406 1.00 75.23 N ATOM 588 CA ASP A 698 -14.346 3.305 -1.417 1.00 55.24 C ATOM 589 C ASP A 698 -13.801 3.558 -0.002 1.00 72.41 C ATOM 590 O ASP A 698 -14.294 4.426 0.726 1.00 72.42 O ATOM 591 CB ASP A 698 -14.168 4.558 -2.277 1.00 30.02 C ATOM 592 CG ASP A 698 -12.727 5.037 -2.305 1.00 5.43 C ATOM 593 OD1 ASP A 698 -11.895 4.387 -2.972 1.00 74.31 O ATOM 594 OD2 ASP A 698 -12.416 6.054 -1.649 1.00 54.31 O ATOM 0 H ASP A 698 -16.396 3.611 -1.741 1.00 75.23 H new ATOM 0 HA ASP A 698 -13.774 2.482 -1.845 1.00 55.24 H new ATOM 0 HB2 ASP A 698 -14.499 4.348 -3.294 1.00 30.02 H new ATOM 0 HB3 ASP A 698 -14.806 5.354 -1.892 1.00 30.02 H new ATOM 599 N LEU A 699 -12.773 2.802 0.378 1.00 13.51 N ATOM 600 CA LEU A 699 -12.099 2.997 1.666 1.00 15.12 C ATOM 601 C LEU A 699 -10.623 3.379 1.460 1.00 71.02 C ATOM 602 O LEU A 699 -9.825 3.349 2.395 1.00 20.22 O ATOM 603 CB LEU A 699 -12.197 1.726 2.524 1.00 20.32 C ATOM 604 CG LEU A 699 -13.627 1.241 2.838 1.00 21.51 C ATOM 605 CD1 LEU A 699 -13.594 0.050 3.790 1.00 73.40 C ATOM 606 CD2 LEU A 699 -14.482 2.369 3.415 1.00 24.30 C ATOM 0 H LEU A 699 -12.386 2.046 -0.187 1.00 13.51 H new ATOM 0 HA LEU A 699 -12.599 3.814 2.187 1.00 15.12 H new ATOM 0 HB2 LEU A 699 -11.664 0.923 2.014 1.00 20.32 H new ATOM 0 HB3 LEU A 699 -11.678 1.904 3.466 1.00 20.32 H new ATOM 0 HG LEU A 699 -14.084 0.922 1.901 1.00 21.51 H new ATOM 0 HD11 LEU A 699 -14.613 -0.277 3.999 1.00 73.40 H new ATOM 0 HD12 LEU A 699 -13.037 -0.767 3.331 1.00 73.40 H new ATOM 0 HD13 LEU A 699 -13.108 0.342 4.721 1.00 73.40 H new ATOM 0 HD21 LEU A 699 -15.484 1.995 3.626 1.00 24.30 H new ATOM 0 HD22 LEU A 699 -14.029 2.733 4.337 1.00 24.30 H new ATOM 0 HD23 LEU A 699 -14.543 3.184 2.694 1.00 24.30 H new ATOM 618 N THR A 700 -10.278 3.762 0.230 1.00 70.45 N ATOM 619 CA THR A 700 -8.892 4.116 -0.125 1.00 23.13 C ATOM 620 C THR A 700 -8.360 5.297 0.706 1.00 3.35 C ATOM 621 O THR A 700 -7.177 5.350 1.052 1.00 63.43 O ATOM 622 CB THR A 700 -8.771 4.447 -1.634 1.00 41.24 C ATOM 623 OG1 THR A 700 -9.229 3.330 -2.413 1.00 42.14 O ATOM 624 CG2 THR A 700 -7.331 4.780 -2.024 1.00 34.22 C ATOM 0 H THR A 700 -10.938 3.837 -0.544 1.00 70.45 H new ATOM 0 HA THR A 700 -8.282 3.242 0.103 1.00 23.13 H new ATOM 0 HB THR A 700 -9.388 5.323 -1.834 1.00 41.24 H new ATOM 0 HG1 THR A 700 -10.149 3.493 -2.710 1.00 42.14 H new ATOM 0 HG21 THR A 700 -7.286 5.007 -3.089 1.00 34.22 H new ATOM 0 HG22 THR A 700 -6.990 5.645 -1.454 1.00 34.22 H new ATOM 0 HG23 THR A 700 -6.689 3.927 -1.807 1.00 34.22 H new ATOM 632 N SER A 701 -9.241 6.232 1.049 1.00 64.42 N ATOM 633 CA SER A 701 -8.864 7.382 1.888 1.00 32.44 C ATOM 634 C SER A 701 -8.583 6.950 3.339 1.00 63.01 C ATOM 635 O SER A 701 -7.964 7.682 4.115 1.00 73.10 O ATOM 636 CB SER A 701 -9.968 8.449 1.873 1.00 1.00 C ATOM 637 OG SER A 701 -9.578 9.609 2.597 1.00 63.41 O ATOM 0 H SER A 701 -10.220 6.223 0.763 1.00 64.42 H new ATOM 0 HA SER A 701 -7.950 7.805 1.470 1.00 32.44 H new ATOM 0 HB2 SER A 701 -10.199 8.721 0.843 1.00 1.00 H new ATOM 0 HB3 SER A 701 -10.880 8.037 2.306 1.00 1.00 H new ATOM 0 HG SER A 701 -8.865 9.377 3.228 1.00 63.41 H new ATOM 643 N LYS A 702 -9.039 5.750 3.694 1.00 60.22 N ATOM 644 CA LYS A 702 -8.839 5.200 5.042 1.00 31.14 C ATOM 645 C LYS A 702 -7.557 4.356 5.129 1.00 12.23 C ATOM 646 O LYS A 702 -7.295 3.716 6.149 1.00 45.32 O ATOM 647 CB LYS A 702 -10.052 4.359 5.442 1.00 11.52 C ATOM 648 CG LYS A 702 -11.350 5.155 5.510 1.00 12.10 C ATOM 649 CD LYS A 702 -12.514 4.279 5.946 1.00 23.11 C ATOM 650 CE LYS A 702 -13.813 5.067 6.073 1.00 62.04 C ATOM 651 NZ LYS A 702 -13.763 6.051 7.187 1.00 2.22 N ATOM 0 H LYS A 702 -9.553 5.133 3.065 1.00 60.22 H new ATOM 0 HA LYS A 702 -8.729 6.036 5.733 1.00 31.14 H new ATOM 0 HB2 LYS A 702 -10.171 3.545 4.727 1.00 11.52 H new ATOM 0 HB3 LYS A 702 -9.863 3.904 6.414 1.00 11.52 H new ATOM 0 HG2 LYS A 702 -11.234 5.984 6.208 1.00 12.10 H new ATOM 0 HG3 LYS A 702 -11.565 5.589 4.533 1.00 12.10 H new ATOM 0 HD2 LYS A 702 -12.649 3.473 5.225 1.00 23.11 H new ATOM 0 HD3 LYS A 702 -12.278 3.814 6.903 1.00 23.11 H new ATOM 0 HE2 LYS A 702 -14.013 5.589 5.137 1.00 62.04 H new ATOM 0 HE3 LYS A 702 -14.641 4.377 6.236 1.00 62.04 H new ATOM 0 HZ1 LYS A 702 -14.710 6.455 7.336 1.00 2.22 H new ATOM 0 HZ2 LYS A 702 -13.449 5.575 8.057 1.00 2.22 H new ATOM 0 HZ3 LYS A 702 -13.096 6.812 6.948 1.00 2.22 H new ATOM 665 N ILE A 703 -6.765 4.350 4.056 1.00 53.22 N ATOM 666 CA ILE A 703 -5.489 3.629 4.041 1.00 13.22 C ATOM 667 C ILE A 703 -4.372 4.456 4.697 1.00 11.12 C ATOM 668 O ILE A 703 -4.226 5.651 4.428 1.00 10.14 O ATOM 669 CB ILE A 703 -5.050 3.267 2.598 1.00 63.31 C ATOM 670 CG1 ILE A 703 -6.124 2.419 1.897 1.00 43.12 C ATOM 671 CG2 ILE A 703 -3.707 2.530 2.610 1.00 11.24 C ATOM 672 CD1 ILE A 703 -5.787 2.084 0.458 1.00 70.33 C ATOM 0 H ILE A 703 -6.983 4.836 3.186 1.00 53.22 H new ATOM 0 HA ILE A 703 -5.649 2.712 4.609 1.00 13.22 H new ATOM 0 HB ILE A 703 -4.928 4.194 2.038 1.00 63.31 H new ATOM 0 HG12 ILE A 703 -6.265 1.493 2.454 1.00 43.12 H new ATOM 0 HG13 ILE A 703 -7.073 2.954 1.924 1.00 43.12 H new ATOM 0 HG21 ILE A 703 -3.417 2.285 1.588 1.00 11.24 H new ATOM 0 HG22 ILE A 703 -2.946 3.168 3.060 1.00 11.24 H new ATOM 0 HG23 ILE A 703 -3.801 1.612 3.190 1.00 11.24 H new ATOM 0 HD11 ILE A 703 -6.589 1.484 0.027 1.00 70.33 H new ATOM 0 HD12 ILE A 703 -5.675 3.005 -0.114 1.00 70.33 H new ATOM 0 HD13 ILE A 703 -4.854 1.521 0.424 1.00 70.33 H new ATOM 684 N LYS A 704 -3.594 3.818 5.563 1.00 14.15 N ATOM 685 CA LYS A 704 -2.417 4.447 6.167 1.00 15.02 C ATOM 686 C LYS A 704 -1.133 3.770 5.674 1.00 14.11 C ATOM 687 O LYS A 704 -0.996 2.547 5.753 1.00 55.45 O ATOM 688 CB LYS A 704 -2.497 4.378 7.698 1.00 61.03 C ATOM 689 CG LYS A 704 -1.279 4.968 8.405 1.00 1.23 C ATOM 690 CD LYS A 704 -1.454 4.998 9.921 1.00 73.24 C ATOM 691 CE LYS A 704 -2.620 5.886 10.344 1.00 52.42 C ATOM 692 NZ LYS A 704 -2.708 6.019 11.822 1.00 62.03 N ATOM 0 H LYS A 704 -3.756 2.858 5.867 1.00 14.15 H new ATOM 0 HA LYS A 704 -2.396 5.494 5.865 1.00 15.02 H new ATOM 0 HB2 LYS A 704 -3.390 4.907 8.030 1.00 61.03 H new ATOM 0 HB3 LYS A 704 -2.612 3.337 8.000 1.00 61.03 H new ATOM 0 HG2 LYS A 704 -0.395 4.381 8.154 1.00 1.23 H new ATOM 0 HG3 LYS A 704 -1.104 5.980 8.041 1.00 1.23 H new ATOM 0 HD2 LYS A 704 -1.619 3.985 10.287 1.00 73.24 H new ATOM 0 HD3 LYS A 704 -0.536 5.359 10.385 1.00 73.24 H new ATOM 0 HE2 LYS A 704 -2.505 6.873 9.897 1.00 52.42 H new ATOM 0 HE3 LYS A 704 -3.551 5.469 9.961 1.00 52.42 H new ATOM 0 HZ1 LYS A 704 -3.513 6.630 12.068 1.00 62.03 H new ATOM 0 HZ2 LYS A 704 -2.843 5.080 12.248 1.00 62.03 H new ATOM 0 HZ3 LYS A 704 -1.830 6.441 12.186 1.00 62.03 H new ATOM 706 N VAL A 705 -0.204 4.569 5.159 1.00 3.24 N ATOM 707 CA VAL A 705 1.071 4.056 4.648 1.00 11.33 C ATOM 708 C VAL A 705 2.199 4.214 5.680 1.00 13.44 C ATOM 709 O VAL A 705 2.466 5.317 6.163 1.00 62.31 O ATOM 710 CB VAL A 705 1.487 4.776 3.340 1.00 30.14 C ATOM 711 CG1 VAL A 705 2.799 4.212 2.795 1.00 72.14 C ATOM 712 CG2 VAL A 705 0.380 4.680 2.295 1.00 54.22 C ATOM 0 H VAL A 705 -0.308 5.581 5.082 1.00 3.24 H new ATOM 0 HA VAL A 705 0.918 2.996 4.445 1.00 11.33 H new ATOM 0 HB VAL A 705 1.647 5.829 3.572 1.00 30.14 H new ATOM 0 HG11 VAL A 705 3.067 4.736 1.877 1.00 72.14 H new ATOM 0 HG12 VAL A 705 3.589 4.348 3.534 1.00 72.14 H new ATOM 0 HG13 VAL A 705 2.679 3.149 2.585 1.00 72.14 H new ATOM 0 HG21 VAL A 705 0.693 5.192 1.385 1.00 54.22 H new ATOM 0 HG22 VAL A 705 0.181 3.632 2.071 1.00 54.22 H new ATOM 0 HG23 VAL A 705 -0.526 5.147 2.681 1.00 54.22 H new ATOM 722 N ASP A 706 2.852 3.106 6.011 1.00 21.14 N ATOM 723 CA ASP A 706 4.024 3.122 6.887 1.00 64.12 C ATOM 724 C ASP A 706 5.298 2.792 6.094 1.00 11.04 C ATOM 725 O ASP A 706 5.277 1.961 5.187 1.00 32.05 O ATOM 726 CB ASP A 706 3.841 2.128 8.039 1.00 44.42 C ATOM 727 CG ASP A 706 5.024 2.133 8.993 1.00 53.41 C ATOM 728 OD1 ASP A 706 5.282 3.188 9.611 1.00 53.51 O ATOM 729 OD2 ASP A 706 5.706 1.096 9.116 1.00 41.51 O ATOM 0 H ASP A 706 2.589 2.176 5.684 1.00 21.14 H new ATOM 0 HA ASP A 706 4.129 4.124 7.303 1.00 64.12 H new ATOM 0 HB2 ASP A 706 2.932 2.374 8.588 1.00 44.42 H new ATOM 0 HB3 ASP A 706 3.707 1.125 7.634 1.00 44.42 H new ATOM 734 N GLY A 707 6.403 3.445 6.445 1.00 53.11 N ATOM 735 CA GLY A 707 7.662 3.225 5.741 1.00 43.44 C ATOM 736 C GLY A 707 7.903 4.230 4.615 1.00 23.51 C ATOM 737 O GLY A 707 6.988 4.953 4.204 1.00 14.42 O ATOM 0 H GLY A 707 6.452 4.124 7.205 1.00 53.11 H new ATOM 0 HA2 GLY A 707 8.485 3.283 6.454 1.00 43.44 H new ATOM 0 HA3 GLY A 707 7.669 2.217 5.327 1.00 43.44 H new ATOM 741 N GLU A 708 9.134 4.271 4.109 1.00 61.53 N ATOM 742 CA GLU A 708 9.505 5.188 3.022 1.00 63.51 C ATOM 743 C GLU A 708 10.617 4.593 2.137 1.00 52.52 C ATOM 744 O GLU A 708 11.419 3.773 2.592 1.00 15.11 O ATOM 745 CB GLU A 708 9.947 6.537 3.608 1.00 42.14 C ATOM 746 CG GLU A 708 11.087 6.423 4.613 1.00 14.53 C ATOM 747 CD GLU A 708 11.382 7.733 5.323 1.00 21.30 C ATOM 748 OE1 GLU A 708 12.096 8.584 4.748 1.00 61.23 O ATOM 749 OE2 GLU A 708 10.906 7.917 6.462 1.00 0.13 O ATOM 0 H GLU A 708 9.898 3.678 4.433 1.00 61.53 H new ATOM 0 HA GLU A 708 8.630 5.340 2.390 1.00 63.51 H new ATOM 0 HB2 GLU A 708 10.256 7.193 2.794 1.00 42.14 H new ATOM 0 HB3 GLU A 708 9.093 7.010 4.092 1.00 42.14 H new ATOM 0 HG2 GLU A 708 10.838 5.663 5.353 1.00 14.53 H new ATOM 0 HG3 GLU A 708 11.986 6.084 4.098 1.00 14.53 H new ATOM 756 N VAL A 709 10.653 5.005 0.870 1.00 11.21 N ATOM 757 CA VAL A 709 11.629 4.486 -0.101 1.00 53.24 C ATOM 758 C VAL A 709 12.490 5.612 -0.695 1.00 61.54 C ATOM 759 O VAL A 709 11.977 6.673 -1.052 1.00 5.42 O ATOM 760 CB VAL A 709 10.916 3.744 -1.266 1.00 61.24 C ATOM 761 CG1 VAL A 709 11.926 3.212 -2.283 1.00 31.42 C ATOM 762 CG2 VAL A 709 10.040 2.614 -0.734 1.00 31.31 C ATOM 0 H VAL A 709 10.015 5.701 0.486 1.00 11.21 H new ATOM 0 HA VAL A 709 12.270 3.792 0.442 1.00 53.24 H new ATOM 0 HB VAL A 709 10.275 4.463 -1.775 1.00 61.24 H new ATOM 0 HG11 VAL A 709 11.398 2.698 -3.086 1.00 31.42 H new ATOM 0 HG12 VAL A 709 12.497 4.043 -2.698 1.00 31.42 H new ATOM 0 HG13 VAL A 709 12.605 2.515 -1.791 1.00 31.42 H new ATOM 0 HG21 VAL A 709 9.551 2.109 -1.567 1.00 31.31 H new ATOM 0 HG22 VAL A 709 10.658 1.900 -0.189 1.00 31.31 H new ATOM 0 HG23 VAL A 709 9.284 3.024 -0.064 1.00 31.31 H new ATOM 772 N ASP A 710 13.801 5.386 -0.793 1.00 53.25 N ATOM 773 CA ASP A 710 14.697 6.326 -1.477 1.00 30.42 C ATOM 774 C ASP A 710 14.756 6.027 -2.982 1.00 54.20 C ATOM 775 O ASP A 710 14.870 4.875 -3.390 1.00 50.04 O ATOM 776 CB ASP A 710 16.112 6.242 -0.893 1.00 22.14 C ATOM 777 CG ASP A 710 16.174 6.679 0.557 1.00 74.52 C ATOM 778 OD1 ASP A 710 15.947 5.840 1.446 1.00 22.43 O ATOM 779 OD2 ASP A 710 16.458 7.866 0.816 1.00 42.11 O ATOM 0 H ASP A 710 14.267 4.564 -0.409 1.00 53.25 H new ATOM 0 HA ASP A 710 14.301 7.330 -1.327 1.00 30.42 H new ATOM 0 HB2 ASP A 710 16.474 5.217 -0.975 1.00 22.14 H new ATOM 0 HB3 ASP A 710 16.782 6.865 -1.485 1.00 22.14 H new ATOM 784 N THR A 711 14.693 7.071 -3.803 1.00 24.42 N ATOM 785 CA THR A 711 14.815 6.920 -5.261 1.00 25.21 C ATOM 786 C THR A 711 16.176 7.422 -5.746 1.00 33.42 C ATOM 787 O THR A 711 16.448 7.463 -6.944 1.00 64.35 O ATOM 788 CB THR A 711 13.702 7.691 -6.013 1.00 11.35 C ATOM 789 OG1 THR A 711 13.836 9.105 -5.790 1.00 14.25 O ATOM 790 CG2 THR A 711 12.316 7.237 -5.561 1.00 33.24 C ATOM 0 H THR A 711 14.558 8.032 -3.490 1.00 24.42 H new ATOM 0 HA THR A 711 14.714 5.856 -5.477 1.00 25.21 H new ATOM 0 HB THR A 711 13.811 7.477 -7.076 1.00 11.35 H new ATOM 0 HG1 THR A 711 13.128 9.581 -6.272 1.00 14.25 H new ATOM 0 HG21 THR A 711 11.555 7.795 -6.106 1.00 33.24 H new ATOM 0 HG22 THR A 711 12.198 6.172 -5.762 1.00 33.24 H new ATOM 0 HG23 THR A 711 12.204 7.419 -4.492 1.00 33.24 H new ATOM 798 N THR A 712 17.022 7.815 -4.798 1.00 72.25 N ATOM 799 CA THR A 712 18.353 8.360 -5.101 1.00 20.12 C ATOM 800 C THR A 712 19.483 7.423 -4.646 1.00 11.13 C ATOM 801 O THR A 712 20.643 7.612 -5.013 1.00 42.00 O ATOM 802 CB THR A 712 18.547 9.733 -4.417 1.00 23.13 C ATOM 803 OG1 THR A 712 18.369 9.603 -2.997 1.00 53.20 O ATOM 804 CG2 THR A 712 17.555 10.759 -4.957 1.00 4.30 C ATOM 0 H THR A 712 16.811 7.767 -3.801 1.00 72.25 H new ATOM 0 HA THR A 712 18.404 8.466 -6.185 1.00 20.12 H new ATOM 0 HB THR A 712 19.558 10.077 -4.633 1.00 23.13 H new ATOM 0 HG1 THR A 712 18.495 10.476 -2.570 1.00 53.20 H new ATOM 0 HG21 THR A 712 17.713 11.715 -4.459 1.00 4.30 H new ATOM 0 HG22 THR A 712 17.704 10.880 -6.030 1.00 4.30 H new ATOM 0 HG23 THR A 712 16.538 10.416 -4.768 1.00 4.30 H new ATOM 812 N LYS A 713 19.136 6.411 -3.852 1.00 12.42 N ATOM 813 CA LYS A 713 20.123 5.465 -3.312 1.00 12.34 C ATOM 814 C LYS A 713 19.646 4.016 -3.499 1.00 41.34 C ATOM 815 O LYS A 713 18.496 3.691 -3.193 1.00 4.11 O ATOM 816 CB LYS A 713 20.364 5.755 -1.820 1.00 24.10 C ATOM 817 CG LYS A 713 21.516 4.961 -1.208 1.00 72.41 C ATOM 818 CD LYS A 713 22.854 5.325 -1.848 1.00 64.10 C ATOM 819 CE LYS A 713 24.011 4.535 -1.246 1.00 21.13 C ATOM 820 NZ LYS A 713 24.219 4.853 0.191 1.00 21.21 N ATOM 0 H LYS A 713 18.176 6.221 -3.565 1.00 12.42 H new ATOM 0 HA LYS A 713 21.059 5.591 -3.857 1.00 12.34 H new ATOM 0 HB2 LYS A 713 20.564 6.819 -1.696 1.00 24.10 H new ATOM 0 HB3 LYS A 713 19.451 5.535 -1.266 1.00 24.10 H new ATOM 0 HG2 LYS A 713 21.561 5.152 -0.136 1.00 72.41 H new ATOM 0 HG3 LYS A 713 21.330 3.894 -1.334 1.00 72.41 H new ATOM 0 HD2 LYS A 713 22.806 5.136 -2.920 1.00 64.10 H new ATOM 0 HD3 LYS A 713 23.038 6.392 -1.720 1.00 64.10 H new ATOM 0 HE2 LYS A 713 23.817 3.468 -1.356 1.00 21.13 H new ATOM 0 HE3 LYS A 713 24.924 4.752 -1.800 1.00 21.13 H new ATOM 0 HZ1 LYS A 713 25.094 4.400 0.524 1.00 21.21 H new ATOM 0 HZ2 LYS A 713 24.296 5.883 0.311 1.00 21.21 H new ATOM 0 HZ3 LYS A 713 23.413 4.499 0.745 1.00 21.21 H new ATOM 834 N ALA A 714 20.531 3.151 -4.000 1.00 12.22 N ATOM 835 CA ALA A 714 20.188 1.746 -4.258 1.00 41.12 C ATOM 836 C ALA A 714 19.996 0.945 -2.958 1.00 73.14 C ATOM 837 O ALA A 714 20.727 1.132 -1.983 1.00 65.11 O ATOM 838 CB ALA A 714 21.263 1.094 -5.121 1.00 74.32 C ATOM 0 H ALA A 714 21.492 3.397 -4.236 1.00 12.22 H new ATOM 0 HA ALA A 714 19.236 1.736 -4.789 1.00 41.12 H new ATOM 0 HB1 ALA A 714 20.999 0.053 -5.306 1.00 74.32 H new ATOM 0 HB2 ALA A 714 21.338 1.624 -6.071 1.00 74.32 H new ATOM 0 HB3 ALA A 714 22.221 1.139 -4.604 1.00 74.32 H new ATOM 844 N GLY A 715 19.016 0.041 -2.955 1.00 52.32 N ATOM 845 CA GLY A 715 18.756 -0.787 -1.777 1.00 61.20 C ATOM 846 C GLY A 715 17.305 -1.245 -1.665 1.00 34.23 C ATOM 847 O GLY A 715 16.442 -0.796 -2.418 1.00 24.44 O ATOM 0 H GLY A 715 18.396 -0.136 -3.745 1.00 52.32 H new ATOM 0 HA2 GLY A 715 19.404 -1.663 -1.808 1.00 61.20 H new ATOM 0 HA3 GLY A 715 19.022 -0.225 -0.882 1.00 61.20 H new ATOM 851 N THR A 716 17.039 -2.158 -0.734 1.00 32.40 N ATOM 852 CA THR A 716 15.672 -2.647 -0.486 1.00 45.15 C ATOM 853 C THR A 716 14.979 -1.852 0.632 1.00 2.44 C ATOM 854 O THR A 716 15.536 -1.662 1.712 1.00 32.14 O ATOM 855 CB THR A 716 15.661 -4.152 -0.111 1.00 11.10 C ATOM 856 OG1 THR A 716 16.180 -4.941 -1.195 1.00 52.13 O ATOM 857 CG2 THR A 716 14.253 -4.635 0.235 1.00 55.23 C ATOM 0 H THR A 716 17.749 -2.579 -0.134 1.00 32.40 H new ATOM 0 HA THR A 716 15.125 -2.506 -1.418 1.00 45.15 H new ATOM 0 HB THR A 716 16.293 -4.273 0.769 1.00 11.10 H new ATOM 0 HG1 THR A 716 16.169 -5.888 -0.945 1.00 52.13 H new ATOM 0 HG21 THR A 716 14.285 -5.694 0.492 1.00 55.23 H new ATOM 0 HG22 THR A 716 13.871 -4.066 1.083 1.00 55.23 H new ATOM 0 HG23 THR A 716 13.597 -4.490 -0.624 1.00 55.23 H new ATOM 865 N TYR A 717 13.755 -1.396 0.363 1.00 62.01 N ATOM 866 CA TYR A 717 12.964 -0.627 1.330 1.00 55.33 C ATOM 867 C TYR A 717 11.564 -1.247 1.492 1.00 34.21 C ATOM 868 O TYR A 717 10.953 -1.677 0.511 1.00 43.12 O ATOM 869 CB TYR A 717 12.846 0.832 0.866 1.00 43.14 C ATOM 870 CG TYR A 717 14.181 1.475 0.517 1.00 13.31 C ATOM 871 CD1 TYR A 717 14.950 2.106 1.486 1.00 62.30 C ATOM 872 CD2 TYR A 717 14.672 1.441 -0.785 1.00 73.51 C ATOM 873 CE1 TYR A 717 16.166 2.685 1.171 1.00 63.21 C ATOM 874 CE2 TYR A 717 15.886 2.019 -1.107 1.00 41.31 C ATOM 875 CZ TYR A 717 16.630 2.637 -0.128 1.00 71.01 C ATOM 876 OH TYR A 717 17.845 3.208 -0.449 1.00 51.14 O ATOM 0 H TYR A 717 13.283 -1.548 -0.528 1.00 62.01 H new ATOM 0 HA TYR A 717 13.468 -0.653 2.296 1.00 55.33 H new ATOM 0 HB2 TYR A 717 12.194 0.875 -0.006 1.00 43.14 H new ATOM 0 HB3 TYR A 717 12.366 1.416 1.652 1.00 43.14 H new ATOM 0 HD1 TYR A 717 14.592 2.145 2.504 1.00 62.30 H new ATOM 0 HD2 TYR A 717 14.095 0.955 -1.557 1.00 73.51 H new ATOM 0 HE1 TYR A 717 16.750 3.172 1.938 1.00 63.21 H new ATOM 0 HE2 TYR A 717 16.249 1.986 -2.124 1.00 41.31 H new ATOM 0 HH TYR A 717 17.914 3.305 -1.422 1.00 51.14 H new ATOM 886 N VAL A 718 11.058 -1.294 2.725 1.00 61.03 N ATOM 887 CA VAL A 718 9.777 -1.958 3.013 1.00 45.41 C ATOM 888 C VAL A 718 8.643 -0.951 3.277 1.00 74.22 C ATOM 889 O VAL A 718 8.847 0.078 3.925 1.00 24.45 O ATOM 890 CB VAL A 718 9.902 -2.907 4.235 1.00 15.11 C ATOM 891 CG1 VAL A 718 8.597 -3.662 4.475 1.00 2.03 C ATOM 892 CG2 VAL A 718 11.062 -3.885 4.042 1.00 44.32 C ATOM 0 H VAL A 718 11.511 -0.883 3.541 1.00 61.03 H new ATOM 0 HA VAL A 718 9.527 -2.535 2.123 1.00 45.41 H new ATOM 0 HB VAL A 718 10.108 -2.298 5.116 1.00 15.11 H new ATOM 0 HG11 VAL A 718 8.711 -4.320 5.336 1.00 2.03 H new ATOM 0 HG12 VAL A 718 7.794 -2.950 4.666 1.00 2.03 H new ATOM 0 HG13 VAL A 718 8.353 -4.256 3.594 1.00 2.03 H new ATOM 0 HG21 VAL A 718 11.133 -4.541 4.909 1.00 44.32 H new ATOM 0 HG22 VAL A 718 10.889 -4.483 3.147 1.00 44.32 H new ATOM 0 HG23 VAL A 718 11.993 -3.328 3.931 1.00 44.32 H new ATOM 902 N LEU A 719 7.448 -1.263 2.766 1.00 31.11 N ATOM 903 CA LEU A 719 6.258 -0.419 2.953 1.00 2.53 C ATOM 904 C LEU A 719 5.065 -1.234 3.489 1.00 41.34 C ATOM 905 O LEU A 719 4.826 -2.360 3.051 1.00 42.22 O ATOM 906 CB LEU A 719 5.869 0.240 1.620 1.00 73.32 C ATOM 907 CG LEU A 719 6.949 1.124 0.975 1.00 70.52 C ATOM 908 CD1 LEU A 719 6.485 1.638 -0.384 1.00 32.01 C ATOM 909 CD2 LEU A 719 7.309 2.288 1.896 1.00 14.12 C ATOM 0 H LEU A 719 7.276 -2.103 2.213 1.00 31.11 H new ATOM 0 HA LEU A 719 6.506 0.347 3.688 1.00 2.53 H new ATOM 0 HB2 LEU A 719 5.597 -0.544 0.913 1.00 73.32 H new ATOM 0 HB3 LEU A 719 4.978 0.846 1.782 1.00 73.32 H new ATOM 0 HG LEU A 719 7.842 0.517 0.823 1.00 70.52 H new ATOM 0 HD11 LEU A 719 7.264 2.261 -0.823 1.00 32.01 H new ATOM 0 HD12 LEU A 719 6.282 0.793 -1.043 1.00 32.01 H new ATOM 0 HD13 LEU A 719 5.576 2.227 -0.259 1.00 32.01 H new ATOM 0 HD21 LEU A 719 8.075 2.903 1.423 1.00 14.12 H new ATOM 0 HD22 LEU A 719 6.422 2.893 2.082 1.00 14.12 H new ATOM 0 HD23 LEU A 719 7.688 1.900 2.841 1.00 14.12 H new ATOM 921 N THR A 720 4.312 -0.655 4.425 1.00 64.34 N ATOM 922 CA THR A 720 3.117 -1.310 4.989 1.00 31.15 C ATOM 923 C THR A 720 1.856 -0.466 4.751 1.00 31.15 C ATOM 924 O THR A 720 1.885 0.758 4.871 1.00 43.33 O ATOM 925 CB THR A 720 3.275 -1.570 6.514 1.00 34.32 C ATOM 926 OG1 THR A 720 4.398 -2.430 6.761 1.00 24.22 O ATOM 927 CG2 THR A 720 2.017 -2.204 7.105 1.00 21.12 C ATOM 0 H THR A 720 4.504 0.268 4.813 1.00 64.34 H new ATOM 0 HA THR A 720 3.012 -2.266 4.476 1.00 31.15 H new ATOM 0 HB THR A 720 3.438 -0.605 6.995 1.00 34.32 H new ATOM 0 HG1 THR A 720 4.487 -2.584 7.725 1.00 24.22 H new ATOM 0 HG21 THR A 720 2.161 -2.372 8.172 1.00 21.12 H new ATOM 0 HG22 THR A 720 1.168 -1.537 6.954 1.00 21.12 H new ATOM 0 HG23 THR A 720 1.823 -3.156 6.611 1.00 21.12 H new ATOM 935 N TYR A 721 0.752 -1.125 4.408 1.00 45.23 N ATOM 936 CA TYR A 721 -0.518 -0.437 4.126 1.00 61.04 C ATOM 937 C TYR A 721 -1.665 -1.048 4.948 1.00 73.44 C ATOM 938 O TYR A 721 -1.887 -2.255 4.904 1.00 54.04 O ATOM 939 CB TYR A 721 -0.851 -0.533 2.629 1.00 2.12 C ATOM 940 CG TYR A 721 0.295 -0.123 1.722 1.00 10.03 C ATOM 941 CD1 TYR A 721 0.454 1.195 1.311 1.00 23.11 C ATOM 942 CD2 TYR A 721 1.216 -1.064 1.274 1.00 70.31 C ATOM 943 CE1 TYR A 721 1.501 1.561 0.485 1.00 20.43 C ATOM 944 CE2 TYR A 721 2.263 -0.705 0.449 1.00 74.40 C ATOM 945 CZ TYR A 721 2.399 0.608 0.055 1.00 2.14 C ATOM 946 OH TYR A 721 3.441 0.971 -0.768 1.00 74.22 O ATOM 0 H TYR A 721 0.705 -2.140 4.317 1.00 45.23 H new ATOM 0 HA TYR A 721 -0.405 0.610 4.406 1.00 61.04 H new ATOM 0 HB2 TYR A 721 -1.139 -1.558 2.395 1.00 2.12 H new ATOM 0 HB3 TYR A 721 -1.714 0.098 2.417 1.00 2.12 H new ATOM 0 HD1 TYR A 721 -0.250 1.944 1.641 1.00 23.11 H new ATOM 0 HD2 TYR A 721 1.110 -2.095 1.577 1.00 70.31 H new ATOM 0 HE1 TYR A 721 1.615 2.590 0.178 1.00 20.43 H new ATOM 0 HE2 TYR A 721 2.971 -1.449 0.115 1.00 74.40 H new ATOM 0 HH TYR A 721 3.093 1.203 -1.654 1.00 74.22 H new ATOM 956 N THR A 722 -2.395 -0.215 5.685 1.00 13.13 N ATOM 957 CA THR A 722 -3.503 -0.698 6.531 1.00 73.32 C ATOM 958 C THR A 722 -4.774 0.144 6.329 1.00 70.50 C ATOM 959 O THR A 722 -4.710 1.371 6.300 1.00 3.12 O ATOM 960 CB THR A 722 -3.115 -0.673 8.033 1.00 74.10 C ATOM 961 OG1 THR A 722 -1.935 -1.464 8.253 1.00 62.03 O ATOM 962 CG2 THR A 722 -4.245 -1.203 8.912 1.00 12.23 C ATOM 0 H THR A 722 -2.247 0.794 5.719 1.00 13.13 H new ATOM 0 HA THR A 722 -3.704 -1.725 6.227 1.00 73.32 H new ATOM 0 HB THR A 722 -2.922 0.365 8.305 1.00 74.10 H new ATOM 0 HG1 THR A 722 -1.698 -1.440 9.204 1.00 62.03 H new ATOM 0 HG21 THR A 722 -3.938 -1.171 9.957 1.00 12.23 H new ATOM 0 HG22 THR A 722 -5.133 -0.585 8.775 1.00 12.23 H new ATOM 0 HG23 THR A 722 -4.472 -2.232 8.632 1.00 12.23 H new ATOM 970 N VAL A 723 -5.924 -0.517 6.197 1.00 63.23 N ATOM 971 CA VAL A 723 -7.204 0.180 6.004 1.00 74.34 C ATOM 972 C VAL A 723 -8.280 -0.335 6.977 1.00 65.35 C ATOM 973 O VAL A 723 -8.403 -1.543 7.210 1.00 31.53 O ATOM 974 CB VAL A 723 -7.706 0.047 4.541 1.00 5.44 C ATOM 975 CG1 VAL A 723 -7.893 -1.418 4.151 1.00 24.11 C ATOM 976 CG2 VAL A 723 -8.998 0.837 4.331 1.00 73.01 C ATOM 0 H VAL A 723 -6.000 -1.534 6.220 1.00 63.23 H new ATOM 0 HA VAL A 723 -7.025 1.234 6.215 1.00 74.34 H new ATOM 0 HB VAL A 723 -6.942 0.470 3.889 1.00 5.44 H new ATOM 0 HG11 VAL A 723 -8.245 -1.478 3.121 1.00 24.11 H new ATOM 0 HG12 VAL A 723 -6.942 -1.943 4.241 1.00 24.11 H new ATOM 0 HG13 VAL A 723 -8.626 -1.880 4.813 1.00 24.11 H new ATOM 0 HG21 VAL A 723 -9.328 0.727 3.298 1.00 73.01 H new ATOM 0 HG22 VAL A 723 -9.770 0.457 5.001 1.00 73.01 H new ATOM 0 HG23 VAL A 723 -8.819 1.891 4.544 1.00 73.01 H new ATOM 986 N THR A 724 -9.055 0.589 7.545 1.00 50.34 N ATOM 987 CA THR A 724 -10.086 0.247 8.539 1.00 32.12 C ATOM 988 C THR A 724 -11.509 0.353 7.959 1.00 51.14 C ATOM 989 O THR A 724 -11.888 1.380 7.396 1.00 72.23 O ATOM 990 CB THR A 724 -9.994 1.167 9.786 1.00 20.50 C ATOM 991 OG1 THR A 724 -8.646 1.198 10.289 1.00 34.45 O ATOM 992 CG2 THR A 724 -10.938 0.697 10.892 1.00 44.11 C ATOM 0 H THR A 724 -8.992 1.585 7.336 1.00 50.34 H new ATOM 0 HA THR A 724 -9.896 -0.787 8.826 1.00 32.12 H new ATOM 0 HB THR A 724 -10.290 2.170 9.478 1.00 20.50 H new ATOM 0 HG1 THR A 724 -8.543 0.522 10.991 1.00 34.45 H new ATOM 0 HG21 THR A 724 -10.851 1.361 11.752 1.00 44.11 H new ATOM 0 HG22 THR A 724 -11.964 0.712 10.525 1.00 44.11 H new ATOM 0 HG23 THR A 724 -10.673 -0.318 11.189 1.00 44.11 H new ATOM 1000 N ASP A 725 -12.295 -0.713 8.115 1.00 5.23 N ATOM 1001 CA ASP A 725 -13.701 -0.739 7.687 1.00 73.01 C ATOM 1002 C ASP A 725 -14.622 -0.073 8.727 1.00 31.50 C ATOM 1003 O ASP A 725 -14.345 -0.102 9.926 1.00 22.53 O ATOM 1004 CB ASP A 725 -14.116 -2.198 7.429 1.00 34.14 C ATOM 1005 CG ASP A 725 -15.610 -2.460 7.516 1.00 41.04 C ATOM 1006 OD1 ASP A 725 -16.398 -1.769 6.849 1.00 41.33 O ATOM 1007 OD2 ASP A 725 -16.011 -3.397 8.228 1.00 11.23 O ATOM 0 H ASP A 725 -11.978 -1.584 8.541 1.00 5.23 H new ATOM 0 HA ASP A 725 -13.804 -0.165 6.766 1.00 73.01 H new ATOM 0 HB2 ASP A 725 -13.767 -2.491 6.439 1.00 34.14 H new ATOM 0 HB3 ASP A 725 -13.606 -2.839 8.149 1.00 34.14 H new ATOM 1012 N SER A 726 -15.730 0.494 8.251 1.00 35.35 N ATOM 1013 CA SER A 726 -16.671 1.244 9.103 1.00 32.52 C ATOM 1014 C SER A 726 -17.229 0.394 10.256 1.00 23.45 C ATOM 1015 O SER A 726 -17.487 0.906 11.347 1.00 12.31 O ATOM 1016 CB SER A 726 -17.839 1.780 8.259 1.00 72.01 C ATOM 1017 OG SER A 726 -17.377 2.640 7.225 1.00 22.52 O ATOM 0 H SER A 726 -16.006 0.451 7.270 1.00 35.35 H new ATOM 0 HA SER A 726 -16.110 2.070 9.540 1.00 32.52 H new ATOM 0 HB2 SER A 726 -18.388 0.946 7.823 1.00 72.01 H new ATOM 0 HB3 SER A 726 -18.536 2.320 8.900 1.00 72.01 H new ATOM 0 HG SER A 726 -18.003 2.612 6.472 1.00 22.52 H new ATOM 1023 N LYS A 727 -17.422 -0.900 10.014 1.00 72.23 N ATOM 1024 CA LYS A 727 -17.980 -1.800 11.036 1.00 22.14 C ATOM 1025 C LYS A 727 -16.899 -2.363 11.980 1.00 71.31 C ATOM 1026 O LYS A 727 -17.221 -2.993 12.989 1.00 1.33 O ATOM 1027 CB LYS A 727 -18.750 -2.945 10.371 1.00 52.14 C ATOM 1028 CG LYS A 727 -20.009 -2.506 9.626 1.00 34.00 C ATOM 1029 CD LYS A 727 -21.085 -1.984 10.579 1.00 71.33 C ATOM 1030 CE LYS A 727 -22.378 -1.644 9.842 1.00 32.44 C ATOM 1031 NZ LYS A 727 -23.458 -1.204 10.768 1.00 70.34 N ATOM 0 H LYS A 727 -17.204 -1.353 9.126 1.00 72.23 H new ATOM 0 HA LYS A 727 -18.662 -1.208 11.646 1.00 22.14 H new ATOM 0 HB2 LYS A 727 -18.087 -3.455 9.672 1.00 52.14 H new ATOM 0 HB3 LYS A 727 -19.028 -3.672 11.134 1.00 52.14 H new ATOM 0 HG2 LYS A 727 -19.752 -1.728 8.907 1.00 34.00 H new ATOM 0 HG3 LYS A 727 -20.405 -3.347 9.057 1.00 34.00 H new ATOM 0 HD2 LYS A 727 -21.289 -2.734 11.343 1.00 71.33 H new ATOM 0 HD3 LYS A 727 -20.716 -1.097 11.093 1.00 71.33 H new ATOM 0 HE2 LYS A 727 -22.183 -0.856 9.115 1.00 32.44 H new ATOM 0 HE3 LYS A 727 -22.715 -2.517 9.283 1.00 32.44 H new ATOM 0 HZ1 LYS A 727 -24.315 -0.984 10.222 1.00 70.34 H new ATOM 0 HZ2 LYS A 727 -23.665 -1.965 11.446 1.00 70.34 H new ATOM 0 HZ3 LYS A 727 -23.149 -0.355 11.283 1.00 70.34 H new ATOM 1045 N GLY A 728 -15.623 -2.125 11.663 1.00 34.05 N ATOM 1046 CA GLY A 728 -14.536 -2.538 12.557 1.00 74.13 C ATOM 1047 C GLY A 728 -13.624 -3.645 12.011 1.00 74.31 C ATOM 1048 O GLY A 728 -12.861 -4.248 12.770 1.00 25.21 O ATOM 0 H GLY A 728 -15.320 -1.657 10.809 1.00 34.05 H new ATOM 0 HA2 GLY A 728 -13.924 -1.665 12.786 1.00 74.13 H new ATOM 0 HA3 GLY A 728 -14.970 -2.878 13.497 1.00 74.13 H new ATOM 1052 N HIS A 729 -13.695 -3.927 10.709 1.00 32.23 N ATOM 1053 CA HIS A 729 -12.745 -4.857 10.072 1.00 4.21 C ATOM 1054 C HIS A 729 -11.501 -4.113 9.550 1.00 62.02 C ATOM 1055 O HIS A 729 -11.570 -3.386 8.564 1.00 74.32 O ATOM 1056 CB HIS A 729 -13.411 -5.623 8.920 1.00 1.21 C ATOM 1057 CG HIS A 729 -14.183 -6.836 9.341 1.00 43.24 C ATOM 1058 ND1 HIS A 729 -15.535 -6.971 9.148 1.00 62.14 N ATOM 1059 CD2 HIS A 729 -13.770 -8.000 9.895 1.00 63.12 C ATOM 1060 CE1 HIS A 729 -15.924 -8.161 9.556 1.00 1.32 C ATOM 1061 NE2 HIS A 729 -14.873 -8.805 10.015 1.00 53.42 N ATOM 0 H HIS A 729 -14.391 -3.532 10.076 1.00 32.23 H new ATOM 0 HA HIS A 729 -12.431 -5.570 10.834 1.00 4.21 H new ATOM 0 HB2 HIS A 729 -14.083 -4.946 8.392 1.00 1.21 H new ATOM 0 HB3 HIS A 729 -12.641 -5.927 8.210 1.00 1.21 H new ATOM 0 HD2 HIS A 729 -12.760 -8.248 10.188 1.00 63.12 H new ATOM 0 HE1 HIS A 729 -16.934 -8.543 9.520 1.00 1.32 H new ATOM 0 HE2 HIS A 729 -14.878 -9.750 10.398 1.00 53.42 H new ATOM 1070 N GLU A 730 -10.365 -4.305 10.210 1.00 32.41 N ATOM 1071 CA GLU A 730 -9.121 -3.627 9.827 1.00 42.22 C ATOM 1072 C GLU A 730 -8.124 -4.609 9.184 1.00 5.13 C ATOM 1073 O GLU A 730 -7.625 -5.525 9.843 1.00 53.45 O ATOM 1074 CB GLU A 730 -8.500 -2.957 11.061 1.00 21.53 C ATOM 1075 CG GLU A 730 -7.286 -2.092 10.751 1.00 72.33 C ATOM 1076 CD GLU A 730 -6.734 -1.398 11.988 1.00 44.41 C ATOM 1077 OE1 GLU A 730 -7.314 -0.373 12.405 1.00 54.54 O ATOM 1078 OE2 GLU A 730 -5.729 -1.882 12.553 1.00 22.40 O ATOM 0 H GLU A 730 -10.274 -4.925 11.015 1.00 32.41 H new ATOM 0 HA GLU A 730 -9.356 -2.865 9.084 1.00 42.22 H new ATOM 0 HB2 GLU A 730 -9.257 -2.342 11.547 1.00 21.53 H new ATOM 0 HB3 GLU A 730 -8.211 -3.729 11.774 1.00 21.53 H new ATOM 0 HG2 GLU A 730 -6.506 -2.711 10.307 1.00 72.33 H new ATOM 0 HG3 GLU A 730 -7.558 -1.342 10.009 1.00 72.33 H new ATOM 1085 N VAL A 731 -7.837 -4.419 7.897 1.00 21.44 N ATOM 1086 CA VAL A 731 -6.937 -5.322 7.158 1.00 21.21 C ATOM 1087 C VAL A 731 -5.627 -4.616 6.765 1.00 41.11 C ATOM 1088 O VAL A 731 -5.570 -3.385 6.705 1.00 40.01 O ATOM 1089 CB VAL A 731 -7.621 -5.882 5.884 1.00 63.01 C ATOM 1090 CG1 VAL A 731 -8.941 -6.571 6.232 1.00 50.32 C ATOM 1091 CG2 VAL A 731 -7.838 -4.778 4.851 1.00 13.04 C ATOM 0 H VAL A 731 -8.211 -3.651 7.340 1.00 21.44 H new ATOM 0 HA VAL A 731 -6.703 -6.149 7.828 1.00 21.21 H new ATOM 0 HB VAL A 731 -6.957 -6.627 5.445 1.00 63.01 H new ATOM 0 HG11 VAL A 731 -9.402 -6.955 5.322 1.00 50.32 H new ATOM 0 HG12 VAL A 731 -8.751 -7.396 6.919 1.00 50.32 H new ATOM 0 HG13 VAL A 731 -9.613 -5.854 6.704 1.00 50.32 H new ATOM 0 HG21 VAL A 731 -8.319 -5.196 3.967 1.00 13.04 H new ATOM 0 HG22 VAL A 731 -8.473 -4.001 5.277 1.00 13.04 H new ATOM 0 HG23 VAL A 731 -6.877 -4.347 4.571 1.00 13.04 H new ATOM 1101 N THR A 732 -4.576 -5.394 6.487 1.00 12.35 N ATOM 1102 CA THR A 732 -3.259 -4.820 6.157 1.00 21.34 C ATOM 1103 C THR A 732 -2.471 -5.678 5.150 1.00 23.21 C ATOM 1104 O THR A 732 -2.644 -6.897 5.075 1.00 55.41 O ATOM 1105 CB THR A 732 -2.399 -4.618 7.430 1.00 42.33 C ATOM 1106 OG1 THR A 732 -1.143 -4.006 7.095 1.00 34.41 O ATOM 1107 CG2 THR A 732 -2.150 -5.942 8.151 1.00 4.45 C ATOM 0 H THR A 732 -4.606 -6.414 6.483 1.00 12.35 H new ATOM 0 HA THR A 732 -3.464 -3.855 5.694 1.00 21.34 H new ATOM 0 HB THR A 732 -2.954 -3.961 8.100 1.00 42.33 H new ATOM 0 HG1 THR A 732 -1.149 -3.069 7.381 1.00 34.41 H new ATOM 0 HG21 THR A 732 -1.544 -5.764 9.039 1.00 4.45 H new ATOM 0 HG22 THR A 732 -3.103 -6.381 8.444 1.00 4.45 H new ATOM 0 HG23 THR A 732 -1.625 -6.626 7.484 1.00 4.45 H new ATOM 1115 N ALA A 733 -1.607 -5.022 4.376 1.00 10.35 N ATOM 1116 CA ALA A 733 -0.751 -5.691 3.387 1.00 24.33 C ATOM 1117 C ALA A 733 0.585 -4.942 3.239 1.00 62.15 C ATOM 1118 O ALA A 733 0.686 -3.775 3.618 1.00 74.55 O ATOM 1119 CB ALA A 733 -1.467 -5.788 2.046 1.00 74.52 C ATOM 0 H ALA A 733 -1.478 -4.011 4.414 1.00 10.35 H new ATOM 0 HA ALA A 733 -0.539 -6.702 3.736 1.00 24.33 H new ATOM 0 HB1 ALA A 733 -0.820 -6.286 1.323 1.00 74.52 H new ATOM 0 HB2 ALA A 733 -2.387 -6.361 2.165 1.00 74.52 H new ATOM 0 HB3 ALA A 733 -1.707 -4.787 1.688 1.00 74.52 H new ATOM 1125 N LYS A 734 1.607 -5.598 2.690 1.00 61.12 N ATOM 1126 CA LYS A 734 2.946 -4.988 2.600 1.00 52.35 C ATOM 1127 C LYS A 734 3.557 -5.091 1.193 1.00 32.11 C ATOM 1128 O LYS A 734 3.160 -5.933 0.385 1.00 4.42 O ATOM 1129 CB LYS A 734 3.886 -5.637 3.625 1.00 11.12 C ATOM 1130 CG LYS A 734 3.456 -5.415 5.072 1.00 63.40 C ATOM 1131 CD LYS A 734 4.441 -6.028 6.061 1.00 72.31 C ATOM 1132 CE LYS A 734 4.026 -5.761 7.505 1.00 4.43 C ATOM 1133 NZ LYS A 734 4.986 -6.341 8.478 1.00 33.42 N ATOM 0 H LYS A 734 1.542 -6.540 2.304 1.00 61.12 H new ATOM 0 HA LYS A 734 2.827 -3.927 2.819 1.00 52.35 H new ATOM 0 HB2 LYS A 734 3.939 -6.708 3.430 1.00 11.12 H new ATOM 0 HB3 LYS A 734 4.891 -5.238 3.488 1.00 11.12 H new ATOM 0 HG2 LYS A 734 3.368 -4.346 5.264 1.00 63.40 H new ATOM 0 HG3 LYS A 734 2.468 -5.849 5.227 1.00 63.40 H new ATOM 0 HD2 LYS A 734 4.505 -7.103 5.893 1.00 72.31 H new ATOM 0 HD3 LYS A 734 5.436 -5.618 5.886 1.00 72.31 H new ATOM 0 HE2 LYS A 734 3.951 -4.686 7.667 1.00 4.43 H new ATOM 0 HE3 LYS A 734 3.035 -6.180 7.680 1.00 4.43 H new ATOM 0 HZ1 LYS A 734 4.666 -6.136 9.446 1.00 33.42 H new ATOM 0 HZ2 LYS A 734 5.039 -7.371 8.342 1.00 33.42 H new ATOM 0 HZ3 LYS A 734 5.927 -5.923 8.329 1.00 33.42 H new ATOM 1147 N GLN A 735 4.536 -4.222 0.924 1.00 65.42 N ATOM 1148 CA GLN A 735 5.251 -4.193 -0.359 1.00 33.11 C ATOM 1149 C GLN A 735 6.772 -4.088 -0.143 1.00 42.02 C ATOM 1150 O GLN A 735 7.249 -3.214 0.586 1.00 44.20 O ATOM 1151 CB GLN A 735 4.771 -3.004 -1.211 1.00 61.51 C ATOM 1152 CG GLN A 735 5.575 -2.802 -2.496 1.00 60.43 C ATOM 1153 CD GLN A 735 5.094 -1.626 -3.335 1.00 63.50 C ATOM 1154 OE1 GLN A 735 5.202 -1.636 -4.556 1.00 72.34 O ATOM 1155 NE2 GLN A 735 4.565 -0.598 -2.697 1.00 45.23 N ATOM 0 H GLN A 735 4.857 -3.518 1.589 1.00 65.42 H new ATOM 0 HA GLN A 735 5.036 -5.125 -0.882 1.00 33.11 H new ATOM 0 HB2 GLN A 735 3.723 -3.154 -1.469 1.00 61.51 H new ATOM 0 HB3 GLN A 735 4.825 -2.095 -0.613 1.00 61.51 H new ATOM 0 HG2 GLN A 735 6.623 -2.650 -2.239 1.00 60.43 H new ATOM 0 HG3 GLN A 735 5.522 -3.711 -3.095 1.00 60.43 H new ATOM 0 HE21 GLN A 735 4.486 -0.614 -1.680 1.00 45.23 H new ATOM 0 HE22 GLN A 735 4.235 0.212 -3.221 1.00 45.23 H new ATOM 1164 N THR A 736 7.527 -4.983 -0.779 1.00 1.23 N ATOM 1165 CA THR A 736 8.999 -4.945 -0.732 1.00 0.24 C ATOM 1166 C THR A 736 9.576 -4.296 -1.998 1.00 43.41 C ATOM 1167 O THR A 736 9.550 -4.885 -3.079 1.00 10.13 O ATOM 1168 CB THR A 736 9.608 -6.365 -0.574 1.00 30.50 C ATOM 1169 OG1 THR A 736 9.203 -6.947 0.675 1.00 54.22 O ATOM 1170 CG2 THR A 736 11.134 -6.330 -0.638 1.00 30.22 C ATOM 0 H THR A 736 7.147 -5.748 -1.336 1.00 1.23 H new ATOM 0 HA THR A 736 9.266 -4.348 0.140 1.00 0.24 H new ATOM 0 HB THR A 736 9.238 -6.971 -1.401 1.00 30.50 H new ATOM 0 HG1 THR A 736 9.593 -7.842 0.760 1.00 54.22 H new ATOM 0 HG21 THR A 736 11.526 -7.341 -0.524 1.00 30.22 H new ATOM 0 HG22 THR A 736 11.449 -5.925 -1.600 1.00 30.22 H new ATOM 0 HG23 THR A 736 11.517 -5.699 0.164 1.00 30.22 H new ATOM 1178 N VAL A 737 10.088 -3.074 -1.863 1.00 34.31 N ATOM 1179 CA VAL A 737 10.671 -2.343 -2.995 1.00 2.41 C ATOM 1180 C VAL A 737 12.203 -2.493 -3.032 1.00 3.31 C ATOM 1181 O VAL A 737 12.859 -2.491 -1.993 1.00 31.13 O ATOM 1182 CB VAL A 737 10.310 -0.835 -2.930 1.00 61.42 C ATOM 1183 CG1 VAL A 737 10.851 -0.082 -4.147 1.00 72.24 C ATOM 1184 CG2 VAL A 737 8.798 -0.643 -2.803 1.00 63.52 C ATOM 0 H VAL A 737 10.113 -2.565 -0.979 1.00 34.31 H new ATOM 0 HA VAL A 737 10.251 -2.776 -3.903 1.00 2.41 H new ATOM 0 HB VAL A 737 10.784 -0.418 -2.041 1.00 61.42 H new ATOM 0 HG11 VAL A 737 10.582 0.972 -4.072 1.00 72.24 H new ATOM 0 HG12 VAL A 737 11.936 -0.178 -4.181 1.00 72.24 H new ATOM 0 HG13 VAL A 737 10.421 -0.503 -5.056 1.00 72.24 H new ATOM 0 HG21 VAL A 737 8.569 0.422 -2.759 1.00 63.52 H new ATOM 0 HG22 VAL A 737 8.301 -1.086 -3.666 1.00 63.52 H new ATOM 0 HG23 VAL A 737 8.445 -1.128 -1.893 1.00 63.52 H new ATOM 1194 N THR A 738 12.772 -2.629 -4.227 1.00 42.12 N ATOM 1195 CA THR A 738 14.234 -2.719 -4.385 1.00 64.25 C ATOM 1196 C THR A 738 14.727 -1.760 -5.476 1.00 61.21 C ATOM 1197 O THR A 738 14.308 -1.848 -6.630 1.00 71.43 O ATOM 1198 CB THR A 738 14.688 -4.161 -4.728 1.00 42.10 C ATOM 1199 OG1 THR A 738 14.265 -5.071 -3.698 1.00 54.42 O ATOM 1200 CG2 THR A 738 16.205 -4.243 -4.879 1.00 63.01 C ATOM 0 H THR A 738 12.251 -2.680 -5.102 1.00 42.12 H new ATOM 0 HA THR A 738 14.672 -2.436 -3.428 1.00 64.25 H new ATOM 0 HB THR A 738 14.228 -4.437 -5.677 1.00 42.10 H new ATOM 0 HG1 THR A 738 14.868 -4.998 -2.929 1.00 54.42 H new ATOM 0 HG21 THR A 738 16.492 -5.267 -5.119 1.00 63.01 H new ATOM 0 HG22 THR A 738 16.527 -3.578 -5.680 1.00 63.01 H new ATOM 0 HG23 THR A 738 16.680 -3.943 -3.945 1.00 63.01 H new ATOM 1208 N VAL A 739 15.615 -0.839 -5.102 1.00 44.12 N ATOM 1209 CA VAL A 739 16.129 0.180 -6.028 1.00 1.54 C ATOM 1210 C VAL A 739 17.533 -0.178 -6.552 1.00 25.14 C ATOM 1211 O VAL A 739 18.412 -0.561 -5.778 1.00 62.55 O ATOM 1212 CB VAL A 739 16.190 1.565 -5.336 1.00 53.20 C ATOM 1213 CG1 VAL A 739 16.595 2.659 -6.324 1.00 52.53 C ATOM 1214 CG2 VAL A 739 14.853 1.893 -4.675 1.00 21.41 C ATOM 0 H VAL A 739 15.998 -0.775 -4.159 1.00 44.12 H new ATOM 0 HA VAL A 739 15.440 0.216 -6.872 1.00 1.54 H new ATOM 0 HB VAL A 739 16.954 1.522 -4.560 1.00 53.20 H new ATOM 0 HG11 VAL A 739 16.629 3.619 -5.810 1.00 52.53 H new ATOM 0 HG12 VAL A 739 17.579 2.432 -6.735 1.00 52.53 H new ATOM 0 HG13 VAL A 739 15.866 2.707 -7.133 1.00 52.53 H new ATOM 0 HG21 VAL A 739 14.915 2.869 -4.194 1.00 21.41 H new ATOM 0 HG22 VAL A 739 14.068 1.910 -5.431 1.00 21.41 H new ATOM 0 HG23 VAL A 739 14.621 1.134 -3.928 1.00 21.41 H new ATOM 1224 N LYS A 740 17.731 -0.049 -7.867 1.00 40.04 N ATOM 1225 CA LYS A 740 19.041 -0.297 -8.500 1.00 12.21 C ATOM 1226 C LYS A 740 19.556 0.950 -9.237 1.00 20.13 C ATOM 1227 O LYS A 740 18.772 1.747 -9.751 1.00 2.31 O ATOM 1228 CB LYS A 740 18.944 -1.455 -9.504 1.00 40.44 C ATOM 1229 CG LYS A 740 18.501 -2.785 -8.903 1.00 54.23 C ATOM 1230 CD LYS A 740 18.434 -3.880 -9.968 1.00 40.14 C ATOM 1231 CE LYS A 740 17.949 -5.207 -9.398 1.00 65.42 C ATOM 1232 NZ LYS A 740 17.830 -6.249 -10.452 1.00 70.24 N ATOM 0 H LYS A 740 16.999 0.227 -8.522 1.00 40.04 H new ATOM 0 HA LYS A 740 19.739 -0.552 -7.702 1.00 12.21 H new ATOM 0 HB2 LYS A 740 18.244 -1.177 -10.292 1.00 40.44 H new ATOM 0 HB3 LYS A 740 19.917 -1.591 -9.976 1.00 40.44 H new ATOM 0 HG2 LYS A 740 19.196 -3.081 -8.117 1.00 54.23 H new ATOM 0 HG3 LYS A 740 17.523 -2.668 -8.436 1.00 54.23 H new ATOM 0 HD2 LYS A 740 17.766 -3.565 -10.770 1.00 40.14 H new ATOM 0 HD3 LYS A 740 19.421 -4.015 -10.410 1.00 40.14 H new ATOM 0 HE2 LYS A 740 18.641 -5.547 -8.627 1.00 65.42 H new ATOM 0 HE3 LYS A 740 16.981 -5.064 -8.917 1.00 65.42 H new ATOM 0 HZ1 LYS A 740 17.498 -7.137 -10.026 1.00 70.24 H new ATOM 0 HZ2 LYS A 740 17.151 -5.936 -11.174 1.00 70.24 H new ATOM 0 HZ3 LYS A 740 18.759 -6.403 -10.894 1.00 70.24 H new ATOM 1246 N VAL A 741 20.878 1.105 -9.309 1.00 53.34 N ATOM 1247 CA VAL A 741 21.493 2.219 -10.046 1.00 1.02 C ATOM 1248 C VAL A 741 21.629 1.874 -11.542 1.00 51.40 C ATOM 1249 O VAL A 741 21.544 0.705 -11.926 1.00 22.32 O ATOM 1250 CB VAL A 741 22.898 2.558 -9.469 1.00 0.15 C ATOM 1251 CG1 VAL A 741 23.461 3.839 -10.083 1.00 41.31 C ATOM 1252 CG2 VAL A 741 22.845 2.675 -7.949 1.00 3.11 C ATOM 0 H VAL A 741 21.548 0.475 -8.867 1.00 53.34 H new ATOM 0 HA VAL A 741 20.842 3.086 -9.934 1.00 1.02 H new ATOM 0 HB VAL A 741 23.567 1.739 -9.732 1.00 0.15 H new ATOM 0 HG11 VAL A 741 24.443 4.046 -9.657 1.00 41.31 H new ATOM 0 HG12 VAL A 741 23.552 3.716 -11.162 1.00 41.31 H new ATOM 0 HG13 VAL A 741 22.790 4.671 -9.868 1.00 41.31 H new ATOM 0 HG21 VAL A 741 23.838 2.912 -7.568 1.00 3.11 H new ATOM 0 HG22 VAL A 741 22.150 3.467 -7.669 1.00 3.11 H new ATOM 0 HG23 VAL A 741 22.509 1.730 -7.523 1.00 3.11 H new