USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=24 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= 0.0296 USER MOD Set 1.2: A 738 THR OG1 : rot -79:sc= 0.0294 USER MOD Set 2.1: A 722 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 732 THR OG1 : rot 38:sc= 0.794 USER MOD Set 3.1: A 726 SER OG : rot -147:sc= 1.57 USER MOD Set 3.2: A 727 LYS NZ :NH3+ -160:sc= 2.3 (180deg=0.683) USER MOD Set 4.1: A 721 TYR OH : rot -156:sc= 0.501 USER MOD Set 4.2: A 735 GLN :FLIP amide:sc= -3.26! F(o=-3.8,f=-2.8!) USER MOD Set 5.1: A 713 LYS NZ :NH3+ -123:sc= -1.08 (180deg=-3.33!) USER MOD Set 5.2: A 717 TYR OH : rot -166:sc= 0.457 USER MOD Single : A 668 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 670 THR OG1 : rot 180:sc=-0.00678 USER MOD Single : A 676 THR OG1 : rot 180:sc= 0 USER MOD Single : A 678 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 682 SER OG : rot 180:sc= 0 USER MOD Single : A 686 MET CE :methyl 158:sc= -2.26! (180deg=-3.4!) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 THR OG1 : rot 106:sc= 1.28 USER MOD Single : A 701 SER OG : rot -35:sc= 0.0457 USER MOD Single : A 702 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 704 LYS NZ :NH3+ -133:sc= 0.74 (180deg=-0.095) USER MOD Single : A 711 THR OG1 : rot 180:sc= 0 USER MOD Single : A 712 THR OG1 : rot -17:sc= 0.328 USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 724 THR OG1 : rot -81:sc= 0.598 USER MOD Single : A 729 HIS : no HE2:sc= -0.931 K(o=-0.93,f=-3.4!) USER MOD Single : A 734 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0464) 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 -20.673 -8.432 8.212 1.00 1.42 N ATOM 89 CA ASP A 664 -19.709 -7.353 7.996 1.00 42.41 C ATOM 90 C ASP A 664 -18.412 -7.883 7.370 1.00 33.12 C ATOM 91 O ASP A 664 -17.750 -8.767 7.920 1.00 31.14 O ATOM 92 CB ASP A 664 -19.411 -6.624 9.311 1.00 73.42 C ATOM 93 CG ASP A 664 -18.354 -5.537 9.161 1.00 60.21 C ATOM 94 OD1 ASP A 664 -18.203 -4.975 8.055 1.00 13.30 O ATOM 95 OD2 ASP A 664 -17.652 -5.251 10.143 1.00 14.31 O ATOM 0 HA ASP A 664 -20.154 -6.644 7.298 1.00 42.41 H new ATOM 0 HB2 ASP A 664 -20.331 -6.179 9.690 1.00 73.42 H new ATOM 0 HB3 ASP A 664 -19.077 -7.348 10.054 1.00 73.42 H new ATOM 100 N LEU A 665 -18.059 -7.325 6.220 1.00 21.53 N ATOM 101 CA LEU A 665 -16.862 -7.728 5.485 1.00 23.42 C ATOM 102 C LEU A 665 -15.674 -6.817 5.815 1.00 44.45 C ATOM 103 O LEU A 665 -15.831 -5.598 5.964 1.00 54.12 O ATOM 104 CB LEU A 665 -17.139 -7.696 3.975 1.00 11.21 C ATOM 105 CG LEU A 665 -18.303 -8.582 3.502 1.00 10.15 C ATOM 106 CD1 LEU A 665 -18.507 -8.451 1.994 1.00 61.22 C ATOM 107 CD2 LEU A 665 -18.061 -10.041 3.891 1.00 34.02 C ATOM 0 H LEU A 665 -18.592 -6.581 5.769 1.00 21.53 H new ATOM 0 HA LEU A 665 -16.606 -8.743 5.787 1.00 23.42 H new ATOM 0 HB2 LEU A 665 -17.345 -6.667 3.682 1.00 11.21 H new ATOM 0 HB3 LEU A 665 -16.234 -8.002 3.450 1.00 11.21 H new ATOM 0 HG LEU A 665 -19.213 -8.242 3.997 1.00 10.15 H new ATOM 0 HD11 LEU A 665 -19.336 -9.087 1.682 1.00 61.22 H new ATOM 0 HD12 LEU A 665 -18.732 -7.414 1.746 1.00 61.22 H new ATOM 0 HD13 LEU A 665 -17.599 -8.759 1.476 1.00 61.22 H new ATOM 0 HD21 LEU A 665 -18.896 -10.652 3.548 1.00 34.02 H new ATOM 0 HD22 LEU A 665 -17.139 -10.393 3.428 1.00 34.02 H new ATOM 0 HD23 LEU A 665 -17.976 -10.119 4.975 1.00 34.02 H new ATOM 119 N GLU A 666 -14.500 -7.415 5.988 1.00 25.24 N ATOM 120 CA GLU A 666 -13.259 -6.650 6.112 1.00 61.44 C ATOM 121 C GLU A 666 -12.782 -6.182 4.724 1.00 70.44 C ATOM 122 O GLU A 666 -12.907 -6.915 3.739 1.00 32.23 O ATOM 123 CB GLU A 666 -12.160 -7.462 6.827 1.00 22.24 C ATOM 124 CG GLU A 666 -11.894 -8.857 6.256 1.00 4.25 C ATOM 125 CD GLU A 666 -12.937 -9.882 6.678 1.00 1.41 C ATOM 126 OE1 GLU A 666 -12.945 -10.275 7.865 1.00 0.13 O ATOM 127 OE2 GLU A 666 -13.763 -10.286 5.830 1.00 64.23 O ATOM 0 H GLU A 666 -14.379 -8.426 6.046 1.00 25.24 H new ATOM 0 HA GLU A 666 -13.464 -5.773 6.726 1.00 61.44 H new ATOM 0 HB2 GLU A 666 -11.232 -6.892 6.794 1.00 22.24 H new ATOM 0 HB3 GLU A 666 -12.434 -7.564 7.877 1.00 22.24 H new ATOM 0 HG2 GLU A 666 -11.869 -8.799 5.168 1.00 4.25 H new ATOM 0 HG3 GLU A 666 -10.909 -9.194 6.580 1.00 4.25 H new ATOM 134 N PRO A 667 -12.227 -4.956 4.629 1.00 23.13 N ATOM 135 CA PRO A 667 -11.907 -4.320 3.335 1.00 0.22 C ATOM 136 C PRO A 667 -10.914 -5.110 2.465 1.00 14.11 C ATOM 137 O PRO A 667 -9.973 -5.733 2.964 1.00 21.11 O ATOM 138 CB PRO A 667 -11.290 -2.966 3.734 1.00 33.20 C ATOM 139 CG PRO A 667 -11.736 -2.731 5.138 1.00 13.22 C ATOM 140 CD PRO A 667 -11.858 -4.092 5.765 1.00 14.44 C ATOM 0 HA PRO A 667 -12.804 -4.250 2.719 1.00 0.22 H new ATOM 0 HB2 PRO A 667 -10.202 -2.994 3.666 1.00 33.20 H new ATOM 0 HB3 PRO A 667 -11.631 -2.168 3.074 1.00 33.20 H new ATOM 0 HG2 PRO A 667 -11.017 -2.115 5.678 1.00 13.22 H new ATOM 0 HG3 PRO A 667 -12.689 -2.203 5.162 1.00 13.22 H new ATOM 0 HD2 PRO A 667 -10.922 -4.409 6.224 1.00 14.44 H new ATOM 0 HD3 PRO A 667 -12.618 -4.108 6.546 1.00 14.44 H new ATOM 148 N LYS A 668 -11.130 -5.059 1.154 1.00 12.53 N ATOM 149 CA LYS A 668 -10.184 -5.607 0.184 1.00 62.33 C ATOM 150 C LYS A 668 -9.061 -4.591 -0.077 1.00 15.25 C ATOM 151 O LYS A 668 -9.223 -3.644 -0.848 1.00 4.22 O ATOM 152 CB LYS A 668 -10.919 -5.953 -1.127 1.00 3.14 C ATOM 153 CG LYS A 668 -10.003 -6.211 -2.326 1.00 52.31 C ATOM 154 CD LYS A 668 -9.110 -7.436 -2.142 1.00 72.24 C ATOM 155 CE LYS A 668 -8.208 -7.652 -3.355 1.00 13.34 C ATOM 156 NZ LYS A 668 -7.428 -8.914 -3.261 1.00 12.02 N ATOM 0 H LYS A 668 -11.960 -4.640 0.735 1.00 12.53 H new ATOM 0 HA LYS A 668 -9.742 -6.519 0.584 1.00 62.33 H new ATOM 0 HB2 LYS A 668 -11.534 -6.837 -0.960 1.00 3.14 H new ATOM 0 HB3 LYS A 668 -11.597 -5.136 -1.374 1.00 3.14 H new ATOM 0 HG2 LYS A 668 -10.612 -6.344 -3.220 1.00 52.31 H new ATOM 0 HG3 LYS A 668 -9.378 -5.334 -2.494 1.00 52.31 H new ATOM 0 HD2 LYS A 668 -8.498 -7.312 -1.249 1.00 72.24 H new ATOM 0 HD3 LYS A 668 -9.729 -8.319 -1.984 1.00 72.24 H new ATOM 0 HE2 LYS A 668 -8.817 -7.670 -4.259 1.00 13.34 H new ATOM 0 HE3 LYS A 668 -7.522 -6.810 -3.450 1.00 13.34 H new ATOM 0 HZ1 LYS A 668 -6.831 -9.017 -4.106 1.00 12.02 H new ATOM 0 HZ2 LYS A 668 -6.826 -8.888 -2.413 1.00 12.02 H new ATOM 0 HZ3 LYS A 668 -8.080 -9.721 -3.198 1.00 12.02 H new ATOM 170 N LEU A 669 -7.939 -4.775 0.608 1.00 61.30 N ATOM 171 CA LEU A 669 -6.778 -3.898 0.451 1.00 1.12 C ATOM 172 C LEU A 669 -5.849 -4.427 -0.650 1.00 31.11 C ATOM 173 O LEU A 669 -5.147 -5.420 -0.461 1.00 24.24 O ATOM 174 CB LEU A 669 -6.024 -3.797 1.787 1.00 23.42 C ATOM 175 CG LEU A 669 -4.789 -2.878 1.796 1.00 65.53 C ATOM 176 CD1 LEU A 669 -5.173 -1.445 1.448 1.00 61.31 C ATOM 177 CD2 LEU A 669 -4.086 -2.933 3.154 1.00 5.53 C ATOM 0 H LEU A 669 -7.805 -5.528 1.283 1.00 61.30 H new ATOM 0 HA LEU A 669 -7.120 -2.905 0.158 1.00 1.12 H new ATOM 0 HB2 LEU A 669 -6.720 -3.445 2.549 1.00 23.42 H new ATOM 0 HB3 LEU A 669 -5.709 -4.798 2.081 1.00 23.42 H new ATOM 0 HG LEU A 669 -4.096 -3.236 1.035 1.00 65.53 H new ATOM 0 HD11 LEU A 669 -4.283 -0.816 1.461 1.00 61.31 H new ATOM 0 HD12 LEU A 669 -5.621 -1.419 0.454 1.00 61.31 H new ATOM 0 HD13 LEU A 669 -5.891 -1.073 2.179 1.00 61.31 H new ATOM 0 HD21 LEU A 669 -3.216 -2.277 3.140 1.00 5.53 H new ATOM 0 HD22 LEU A 669 -4.774 -2.606 3.934 1.00 5.53 H new ATOM 0 HD23 LEU A 669 -3.766 -3.955 3.357 1.00 5.53 H new ATOM 189 N THR A 670 -5.859 -3.765 -1.803 1.00 71.12 N ATOM 190 CA THR A 670 -5.037 -4.184 -2.940 1.00 62.30 C ATOM 191 C THR A 670 -3.646 -3.544 -2.889 1.00 74.34 C ATOM 192 O THR A 670 -3.489 -2.339 -3.090 1.00 34.43 O ATOM 193 CB THR A 670 -5.715 -3.834 -4.288 1.00 71.43 C ATOM 194 OG1 THR A 670 -6.981 -4.507 -4.389 1.00 60.02 O ATOM 195 CG2 THR A 670 -4.835 -4.227 -5.473 1.00 74.52 C ATOM 0 H THR A 670 -6.426 -2.936 -1.977 1.00 71.12 H new ATOM 0 HA THR A 670 -4.931 -5.267 -2.870 1.00 62.30 H new ATOM 0 HB THR A 670 -5.866 -2.755 -4.315 1.00 71.43 H new ATOM 0 HG1 THR A 670 -7.405 -4.280 -5.243 1.00 60.02 H new ATOM 0 HG21 THR A 670 -5.340 -3.968 -6.403 1.00 74.52 H new ATOM 0 HG22 THR A 670 -3.886 -3.693 -5.414 1.00 74.52 H new ATOM 0 HG23 THR A 670 -4.649 -5.301 -5.448 1.00 74.52 H new ATOM 203 N VAL A 671 -2.640 -4.370 -2.624 1.00 62.11 N ATOM 204 CA VAL A 671 -1.247 -3.927 -2.546 1.00 23.14 C ATOM 205 C VAL A 671 -0.354 -4.823 -3.416 1.00 64.14 C ATOM 206 O VAL A 671 -0.461 -6.050 -3.352 1.00 70.50 O ATOM 207 CB VAL A 671 -0.731 -3.972 -1.079 1.00 5.42 C ATOM 208 CG1 VAL A 671 0.728 -3.525 -0.996 1.00 43.33 C ATOM 209 CG2 VAL A 671 -1.610 -3.124 -0.161 1.00 21.02 C ATOM 0 H VAL A 671 -2.765 -5.368 -2.456 1.00 62.11 H new ATOM 0 HA VAL A 671 -1.204 -2.900 -2.909 1.00 23.14 H new ATOM 0 HB VAL A 671 -0.787 -5.006 -0.739 1.00 5.42 H new ATOM 0 HG11 VAL A 671 1.063 -3.566 0.041 1.00 43.33 H new ATOM 0 HG12 VAL A 671 1.346 -4.186 -1.603 1.00 43.33 H new ATOM 0 HG13 VAL A 671 0.817 -2.504 -1.366 1.00 43.33 H new ATOM 0 HG21 VAL A 671 -1.226 -3.174 0.858 1.00 21.02 H new ATOM 0 HG22 VAL A 671 -1.600 -2.089 -0.502 1.00 21.02 H new ATOM 0 HG23 VAL A 671 -2.632 -3.504 -0.183 1.00 21.02 H new ATOM 219 N PRO A 672 0.519 -4.240 -4.261 1.00 21.44 N ATOM 220 CA PRO A 672 1.460 -5.029 -5.070 1.00 34.11 C ATOM 221 C PRO A 672 2.539 -5.693 -4.200 1.00 10.21 C ATOM 222 O PRO A 672 3.254 -5.022 -3.462 1.00 64.31 O ATOM 223 CB PRO A 672 2.073 -3.993 -6.022 1.00 62.44 C ATOM 224 CG PRO A 672 1.928 -2.689 -5.313 1.00 31.45 C ATOM 225 CD PRO A 672 0.666 -2.788 -4.494 1.00 75.34 C ATOM 0 HA PRO A 672 0.973 -5.852 -5.593 1.00 34.11 H new ATOM 0 HB2 PRO A 672 3.120 -4.216 -6.228 1.00 62.44 H new ATOM 0 HB3 PRO A 672 1.554 -3.982 -6.981 1.00 62.44 H new ATOM 0 HG2 PRO A 672 2.791 -2.496 -4.675 1.00 31.45 H new ATOM 0 HG3 PRO A 672 1.866 -1.865 -6.024 1.00 31.45 H new ATOM 0 HD2 PRO A 672 0.751 -2.238 -3.557 1.00 75.34 H new ATOM 0 HD3 PRO A 672 -0.192 -2.378 -5.027 1.00 75.34 H new ATOM 233 N VAL A 673 2.658 -7.014 -4.296 1.00 71.53 N ATOM 234 CA VAL A 673 3.570 -7.772 -3.430 1.00 22.24 C ATOM 235 C VAL A 673 5.046 -7.389 -3.655 1.00 51.01 C ATOM 236 O VAL A 673 5.863 -7.455 -2.734 1.00 11.43 O ATOM 237 CB VAL A 673 3.391 -9.300 -3.632 1.00 71.22 C ATOM 238 CG1 VAL A 673 3.768 -9.717 -5.055 1.00 31.44 C ATOM 239 CG2 VAL A 673 4.196 -10.087 -2.598 1.00 35.42 C ATOM 0 H VAL A 673 2.138 -7.585 -4.962 1.00 71.53 H new ATOM 0 HA VAL A 673 3.308 -7.511 -2.405 1.00 22.24 H new ATOM 0 HB VAL A 673 2.337 -9.534 -3.486 1.00 71.22 H new ATOM 0 HG11 VAL A 673 3.633 -10.793 -5.167 1.00 31.44 H new ATOM 0 HG12 VAL A 673 3.130 -9.195 -5.768 1.00 31.44 H new ATOM 0 HG13 VAL A 673 4.810 -9.461 -5.245 1.00 31.44 H new ATOM 0 HG21 VAL A 673 4.053 -11.155 -2.762 1.00 35.42 H new ATOM 0 HG22 VAL A 673 5.254 -9.843 -2.698 1.00 35.42 H new ATOM 0 HG23 VAL A 673 3.856 -9.825 -1.596 1.00 35.42 H new ATOM 249 N GLY A 674 5.379 -6.972 -4.874 1.00 1.02 N ATOM 250 CA GLY A 674 6.753 -6.594 -5.183 1.00 52.22 C ATOM 251 C GLY A 674 6.853 -5.538 -6.278 1.00 31.01 C ATOM 252 O GLY A 674 6.069 -5.540 -7.229 1.00 72.33 O ATOM 0 H GLY A 674 4.726 -6.888 -5.653 1.00 1.02 H new ATOM 0 HA2 GLY A 674 7.232 -6.217 -4.279 1.00 52.22 H new ATOM 0 HA3 GLY A 674 7.307 -7.481 -5.491 1.00 52.22 H new ATOM 256 N ALA A 675 7.820 -4.636 -6.145 1.00 74.44 N ATOM 257 CA ALA A 675 8.037 -3.570 -7.131 1.00 50.14 C ATOM 258 C ALA A 675 9.523 -3.193 -7.215 1.00 50.42 C ATOM 259 O ALA A 675 10.229 -3.196 -6.210 1.00 71.31 O ATOM 260 CB ALA A 675 7.195 -2.346 -6.781 1.00 34.24 C ATOM 0 H ALA A 675 8.472 -4.618 -5.361 1.00 74.44 H new ATOM 0 HA ALA A 675 7.727 -3.941 -8.108 1.00 50.14 H new ATOM 0 HB1 ALA A 675 7.366 -1.563 -7.520 1.00 34.24 H new ATOM 0 HB2 ALA A 675 6.140 -2.619 -6.779 1.00 34.24 H new ATOM 0 HB3 ALA A 675 7.477 -1.980 -5.794 1.00 34.24 H new ATOM 266 N THR A 676 9.996 -2.871 -8.414 1.00 33.31 N ATOM 267 CA THR A 676 11.406 -2.505 -8.610 1.00 30.52 C ATOM 268 C THR A 676 11.543 -1.196 -9.398 1.00 51.33 C ATOM 269 O THR A 676 10.921 -1.024 -10.445 1.00 50.23 O ATOM 270 CB THR A 676 12.186 -3.622 -9.351 1.00 20.31 C ATOM 271 OG1 THR A 676 12.049 -4.873 -8.654 1.00 51.01 O ATOM 272 CG2 THR A 676 13.666 -3.271 -9.474 1.00 70.52 C ATOM 0 H THR A 676 9.433 -2.854 -9.264 1.00 33.31 H new ATOM 0 HA THR A 676 11.831 -2.371 -7.615 1.00 30.52 H new ATOM 0 HB THR A 676 11.764 -3.714 -10.352 1.00 20.31 H new ATOM 0 HG1 THR A 676 12.544 -5.570 -9.133 1.00 51.01 H new ATOM 0 HG21 THR A 676 14.188 -4.072 -9.998 1.00 70.52 H new ATOM 0 HG22 THR A 676 13.774 -2.341 -10.033 1.00 70.52 H new ATOM 0 HG23 THR A 676 14.095 -3.148 -8.479 1.00 70.52 H new ATOM 280 N ILE A 677 12.363 -0.276 -8.887 1.00 54.13 N ATOM 281 CA ILE A 677 12.606 1.017 -9.547 1.00 44.44 C ATOM 282 C ILE A 677 14.109 1.341 -9.585 1.00 74.51 C ATOM 283 O ILE A 677 14.931 0.589 -9.061 1.00 71.11 O ATOM 284 CB ILE A 677 11.845 2.174 -8.841 1.00 20.44 C ATOM 285 CG1 ILE A 677 12.250 2.261 -7.360 1.00 73.34 C ATOM 286 CG2 ILE A 677 10.331 1.992 -8.981 1.00 21.31 C ATOM 287 CD1 ILE A 677 11.541 3.358 -6.590 1.00 21.11 C ATOM 0 H ILE A 677 12.875 -0.400 -8.013 1.00 54.13 H new ATOM 0 HA ILE A 677 12.231 0.928 -10.567 1.00 44.44 H new ATOM 0 HB ILE A 677 12.119 3.111 -9.326 1.00 20.44 H new ATOM 0 HG12 ILE A 677 12.044 1.304 -6.881 1.00 73.34 H new ATOM 0 HG13 ILE A 677 13.326 2.424 -7.297 1.00 73.34 H new ATOM 0 HG21 ILE A 677 9.818 2.813 -8.480 1.00 21.31 H new ATOM 0 HG22 ILE A 677 10.061 1.987 -10.037 1.00 21.31 H new ATOM 0 HG23 ILE A 677 10.035 1.047 -8.526 1.00 21.31 H new ATOM 0 HD11 ILE A 677 11.881 3.354 -5.554 1.00 21.11 H new ATOM 0 HD12 ILE A 677 11.766 4.324 -7.042 1.00 21.11 H new ATOM 0 HD13 ILE A 677 10.465 3.186 -6.619 1.00 21.11 H new ATOM 299 N HIS A 678 14.470 2.451 -10.220 1.00 52.30 N ATOM 300 CA HIS A 678 15.876 2.858 -10.313 1.00 62.41 C ATOM 301 C HIS A 678 16.124 4.217 -9.642 1.00 44.30 C ATOM 302 O HIS A 678 15.202 5.006 -9.447 1.00 52.34 O ATOM 303 CB HIS A 678 16.304 2.917 -11.785 1.00 32.53 C ATOM 304 CG HIS A 678 16.192 1.601 -12.496 1.00 63.24 C ATOM 305 ND1 HIS A 678 15.040 1.178 -13.125 1.00 63.13 N ATOM 306 CD2 HIS A 678 17.100 0.610 -12.676 1.00 1.15 C ATOM 307 CE1 HIS A 678 15.244 -0.010 -13.660 1.00 45.34 C ATOM 308 NE2 HIS A 678 16.482 -0.376 -13.401 1.00 42.20 N ATOM 0 H HIS A 678 13.815 3.085 -10.677 1.00 52.30 H new ATOM 0 HA HIS A 678 16.473 2.114 -9.784 1.00 62.41 H new ATOM 0 HB2 HIS A 678 15.691 3.654 -12.304 1.00 32.53 H new ATOM 0 HB3 HIS A 678 17.336 3.264 -11.841 1.00 32.53 H new ATOM 0 HD2 HIS A 678 18.118 0.599 -12.316 1.00 1.15 H new ATOM 0 HE1 HIS A 678 14.519 -0.585 -14.216 1.00 45.34 H new ATOM 0 HE2 HIS A 678 16.913 -1.253 -13.693 1.00 42.20 H new ATOM 317 N VAL A 679 17.382 4.474 -9.283 1.00 70.21 N ATOM 318 CA VAL A 679 17.773 5.767 -8.705 1.00 75.53 C ATOM 319 C VAL A 679 17.489 6.920 -9.681 1.00 2.30 C ATOM 320 O VAL A 679 18.135 7.035 -10.725 1.00 14.34 O ATOM 321 CB VAL A 679 19.274 5.775 -8.311 1.00 11.52 C ATOM 322 CG1 VAL A 679 19.702 7.148 -7.788 1.00 64.22 C ATOM 323 CG2 VAL A 679 19.557 4.689 -7.275 1.00 54.22 C ATOM 0 H VAL A 679 18.148 3.808 -9.381 1.00 70.21 H new ATOM 0 HA VAL A 679 17.174 5.912 -7.806 1.00 75.53 H new ATOM 0 HB VAL A 679 19.860 5.564 -9.205 1.00 11.52 H new ATOM 0 HG11 VAL A 679 20.758 7.122 -7.520 1.00 64.22 H new ATOM 0 HG12 VAL A 679 19.542 7.898 -8.562 1.00 64.22 H new ATOM 0 HG13 VAL A 679 19.111 7.403 -6.908 1.00 64.22 H new ATOM 0 HG21 VAL A 679 20.614 4.707 -7.008 1.00 54.22 H new ATOM 0 HG22 VAL A 679 18.955 4.870 -6.384 1.00 54.22 H new ATOM 0 HG23 VAL A 679 19.304 3.714 -7.692 1.00 54.22 H new ATOM 333 N GLY A 680 16.527 7.774 -9.330 1.00 31.33 N ATOM 334 CA GLY A 680 16.099 8.849 -10.225 1.00 43.35 C ATOM 335 C GLY A 680 14.656 8.687 -10.708 1.00 4.20 C ATOM 336 O GLY A 680 14.052 9.638 -11.209 1.00 33.20 O ATOM 0 H GLY A 680 16.032 7.743 -8.438 1.00 31.33 H new ATOM 0 HA2 GLY A 680 16.199 9.804 -9.710 1.00 43.35 H new ATOM 0 HA3 GLY A 680 16.764 8.882 -11.088 1.00 43.35 H new ATOM 340 N ASP A 681 14.105 7.483 -10.561 1.00 20.53 N ATOM 341 CA ASP A 681 12.712 7.203 -10.946 1.00 70.24 C ATOM 342 C ASP A 681 11.707 7.818 -9.945 1.00 54.24 C ATOM 343 O ASP A 681 12.084 8.583 -9.055 1.00 10.52 O ATOM 344 CB ASP A 681 12.490 5.684 -11.049 1.00 14.34 C ATOM 345 CG ASP A 681 13.309 5.022 -12.150 1.00 31.35 C ATOM 346 OD1 ASP A 681 14.146 5.698 -12.780 1.00 24.21 O ATOM 347 OD2 ASP A 681 13.115 3.809 -12.388 1.00 63.45 O ATOM 0 H ASP A 681 14.600 6.679 -10.177 1.00 20.53 H new ATOM 0 HA ASP A 681 12.537 7.664 -11.918 1.00 70.24 H new ATOM 0 HB2 ASP A 681 12.741 5.223 -10.094 1.00 14.34 H new ATOM 0 HB3 ASP A 681 11.432 5.491 -11.228 1.00 14.34 H new ATOM 352 N SER A 682 10.421 7.491 -10.106 1.00 3.14 N ATOM 353 CA SER A 682 9.356 8.002 -9.218 1.00 5.45 C ATOM 354 C SER A 682 8.482 6.855 -8.690 1.00 62.53 C ATOM 355 O SER A 682 8.381 5.800 -9.320 1.00 62.32 O ATOM 356 CB SER A 682 8.471 9.017 -9.961 1.00 34.43 C ATOM 357 OG SER A 682 9.241 10.082 -10.511 1.00 24.14 O ATOM 0 H SER A 682 10.085 6.873 -10.844 1.00 3.14 H new ATOM 0 HA SER A 682 9.839 8.495 -8.374 1.00 5.45 H new ATOM 0 HB2 SER A 682 7.927 8.511 -10.759 1.00 34.43 H new ATOM 0 HB3 SER A 682 7.727 9.422 -9.275 1.00 34.43 H new ATOM 0 HG SER A 682 8.648 10.707 -10.977 1.00 24.14 H new ATOM 363 N PHE A 683 7.847 7.066 -7.536 1.00 5.43 N ATOM 364 CA PHE A 683 6.994 6.037 -6.927 1.00 50.42 C ATOM 365 C PHE A 683 5.993 6.646 -5.927 1.00 24.20 C ATOM 366 O PHE A 683 6.386 7.273 -4.945 1.00 61.11 O ATOM 367 CB PHE A 683 7.865 4.985 -6.223 1.00 51.10 C ATOM 368 CG PHE A 683 7.089 3.800 -5.703 1.00 32.41 C ATOM 369 CD1 PHE A 683 6.863 2.694 -6.512 1.00 62.51 C ATOM 370 CD2 PHE A 683 6.579 3.794 -4.412 1.00 72.15 C ATOM 371 CE1 PHE A 683 6.150 1.608 -6.040 1.00 63.31 C ATOM 372 CE2 PHE A 683 5.866 2.712 -3.940 1.00 32.51 C ATOM 373 CZ PHE A 683 5.650 1.619 -4.753 1.00 30.34 C ATOM 0 H PHE A 683 7.905 7.935 -7.004 1.00 5.43 H new ATOM 0 HA PHE A 683 6.421 5.564 -7.724 1.00 50.42 H new ATOM 0 HB2 PHE A 683 8.626 4.632 -6.919 1.00 51.10 H new ATOM 0 HB3 PHE A 683 8.388 5.458 -5.392 1.00 51.10 H new ATOM 0 HD1 PHE A 683 7.249 2.682 -7.521 1.00 62.51 H new ATOM 0 HD2 PHE A 683 6.742 4.647 -3.770 1.00 72.15 H new ATOM 0 HE1 PHE A 683 5.984 0.752 -6.677 1.00 63.31 H new ATOM 0 HE2 PHE A 683 5.476 2.721 -2.933 1.00 32.51 H new ATOM 0 HZ PHE A 683 5.090 0.773 -4.383 1.00 30.34 H new ATOM 383 N VAL A 684 4.698 6.453 -6.183 1.00 62.30 N ATOM 384 CA VAL A 684 3.640 6.929 -5.279 1.00 44.22 C ATOM 385 C VAL A 684 2.871 5.757 -4.642 1.00 61.30 C ATOM 386 O VAL A 684 2.100 5.065 -5.315 1.00 11.34 O ATOM 387 CB VAL A 684 2.638 7.855 -6.010 1.00 12.11 C ATOM 388 CG1 VAL A 684 1.472 8.234 -5.095 1.00 33.40 C ATOM 389 CG2 VAL A 684 3.347 9.104 -6.527 1.00 34.24 C ATOM 0 H VAL A 684 4.352 5.969 -7.011 1.00 62.30 H new ATOM 0 HA VAL A 684 4.139 7.497 -4.493 1.00 44.22 H new ATOM 0 HB VAL A 684 2.231 7.310 -6.862 1.00 12.11 H new ATOM 0 HG11 VAL A 684 0.783 8.885 -5.634 1.00 33.40 H new ATOM 0 HG12 VAL A 684 0.948 7.331 -4.781 1.00 33.40 H new ATOM 0 HG13 VAL A 684 1.853 8.756 -4.217 1.00 33.40 H new ATOM 0 HG21 VAL A 684 2.629 9.745 -7.039 1.00 34.24 H new ATOM 0 HG22 VAL A 684 3.785 9.647 -5.689 1.00 34.24 H new ATOM 0 HG23 VAL A 684 4.134 8.814 -7.223 1.00 34.24 H new ATOM 399 N PRO A 685 3.046 5.534 -3.324 1.00 12.21 N ATOM 400 CA PRO A 685 2.408 4.408 -2.612 1.00 62.42 C ATOM 401 C PRO A 685 0.870 4.408 -2.707 1.00 54.31 C ATOM 402 O PRO A 685 0.249 3.352 -2.824 1.00 15.42 O ATOM 403 CB PRO A 685 2.865 4.598 -1.152 1.00 71.41 C ATOM 404 CG PRO A 685 3.331 6.014 -1.065 1.00 53.30 C ATOM 405 CD PRO A 685 3.882 6.349 -2.422 1.00 63.42 C ATOM 0 HA PRO A 685 2.699 3.452 -3.047 1.00 62.42 H new ATOM 0 HB2 PRO A 685 2.047 4.410 -0.456 1.00 71.41 H new ATOM 0 HB3 PRO A 685 3.666 3.904 -0.897 1.00 71.41 H new ATOM 0 HG2 PRO A 685 2.510 6.680 -0.801 1.00 53.30 H new ATOM 0 HG3 PRO A 685 4.094 6.128 -0.295 1.00 53.30 H new ATOM 0 HD2 PRO A 685 3.796 7.413 -2.642 1.00 63.42 H new ATOM 0 HD3 PRO A 685 4.938 6.091 -2.505 1.00 63.42 H new ATOM 413 N MET A 686 0.257 5.593 -2.680 1.00 3.24 N ATOM 414 CA MET A 686 -1.212 5.704 -2.707 1.00 42.42 C ATOM 415 C MET A 686 -1.788 5.531 -4.124 1.00 33.54 C ATOM 416 O MET A 686 -2.997 5.377 -4.295 1.00 72.51 O ATOM 417 CB MET A 686 -1.653 7.052 -2.115 1.00 11.24 C ATOM 418 CG MET A 686 -1.422 7.179 -0.608 1.00 71.03 C ATOM 419 SD MET A 686 -2.796 6.553 0.395 1.00 13.23 S ATOM 420 CE MET A 686 -2.818 4.804 -0.002 1.00 34.34 C ATOM 0 H MET A 686 0.747 6.487 -2.640 1.00 3.24 H new ATOM 0 HA MET A 686 -1.608 4.892 -2.098 1.00 42.42 H new ATOM 0 HB2 MET A 686 -1.115 7.853 -2.623 1.00 11.24 H new ATOM 0 HB3 MET A 686 -2.713 7.198 -2.323 1.00 11.24 H new ATOM 0 HG2 MET A 686 -0.514 6.638 -0.342 1.00 71.03 H new ATOM 0 HG3 MET A 686 -1.253 8.227 -0.362 1.00 71.03 H new ATOM 0 HE1 MET A 686 -3.317 4.256 0.797 1.00 34.34 H new ATOM 0 HE2 MET A 686 -3.355 4.650 -0.938 1.00 34.34 H new ATOM 0 HE3 MET A 686 -1.795 4.442 -0.106 1.00 34.34 H new ATOM 430 N ALA A 687 -0.924 5.553 -5.135 1.00 14.41 N ATOM 431 CA ALA A 687 -1.356 5.326 -6.518 1.00 52.54 C ATOM 432 C ALA A 687 -1.303 3.834 -6.872 1.00 22.33 C ATOM 433 O ALA A 687 -2.111 3.335 -7.656 1.00 2.20 O ATOM 434 CB ALA A 687 -0.493 6.134 -7.480 1.00 14.03 C ATOM 0 H ALA A 687 0.076 5.725 -5.027 1.00 14.41 H new ATOM 0 HA ALA A 687 -2.390 5.658 -6.612 1.00 52.54 H new ATOM 0 HB1 ALA A 687 -0.824 5.956 -8.503 1.00 14.03 H new ATOM 0 HB2 ALA A 687 -0.585 7.195 -7.248 1.00 14.03 H new ATOM 0 HB3 ALA A 687 0.549 5.829 -7.378 1.00 14.03 H new ATOM 440 N GLU A 688 -0.343 3.125 -6.282 1.00 60.41 N ATOM 441 CA GLU A 688 -0.173 1.690 -6.534 1.00 1.23 C ATOM 442 C GLU A 688 -1.092 0.840 -5.632 1.00 41.41 C ATOM 443 O GLU A 688 -1.335 -0.335 -5.912 1.00 2.21 O ATOM 444 CB GLU A 688 1.295 1.286 -6.306 1.00 25.13 C ATOM 445 CG GLU A 688 2.313 2.146 -7.059 1.00 72.31 C ATOM 446 CD GLU A 688 2.168 2.079 -8.572 1.00 22.22 C ATOM 447 OE1 GLU A 688 2.530 1.041 -9.169 1.00 44.50 O ATOM 448 OE2 GLU A 688 1.715 3.072 -9.183 1.00 4.54 O ATOM 0 H GLU A 688 0.331 3.518 -5.625 1.00 60.41 H new ATOM 0 HA GLU A 688 -0.450 1.501 -7.571 1.00 1.23 H new ATOM 0 HB2 GLU A 688 1.512 1.339 -5.239 1.00 25.13 H new ATOM 0 HB3 GLU A 688 1.424 0.246 -6.606 1.00 25.13 H new ATOM 0 HG2 GLU A 688 2.208 3.182 -6.738 1.00 72.31 H new ATOM 0 HG3 GLU A 688 3.319 1.827 -6.785 1.00 72.31 H new ATOM 455 N VAL A 689 -1.605 1.443 -4.554 1.00 72.45 N ATOM 456 CA VAL A 689 -2.415 0.721 -3.556 1.00 1.12 C ATOM 457 C VAL A 689 -3.862 1.246 -3.472 1.00 4.31 C ATOM 458 O VAL A 689 -4.095 2.450 -3.375 1.00 51.23 O ATOM 459 CB VAL A 689 -1.759 0.816 -2.155 1.00 65.00 C ATOM 460 CG1 VAL A 689 -2.652 0.199 -1.078 1.00 34.24 C ATOM 461 CG2 VAL A 689 -0.389 0.146 -2.169 1.00 52.34 C ATOM 0 H VAL A 689 -1.475 2.433 -4.346 1.00 72.45 H new ATOM 0 HA VAL A 689 -2.455 -0.318 -3.884 1.00 1.12 H new ATOM 0 HB VAL A 689 -1.632 1.871 -1.911 1.00 65.00 H new ATOM 0 HG11 VAL A 689 -2.162 0.282 -0.108 1.00 34.24 H new ATOM 0 HG12 VAL A 689 -3.605 0.727 -1.050 1.00 34.24 H new ATOM 0 HG13 VAL A 689 -2.826 -0.852 -1.308 1.00 34.24 H new ATOM 0 HG21 VAL A 689 0.062 0.219 -1.179 1.00 52.34 H new ATOM 0 HG22 VAL A 689 -0.500 -0.904 -2.440 1.00 52.34 H new ATOM 0 HG23 VAL A 689 0.252 0.643 -2.897 1.00 52.34 H new ATOM 471 N LEU A 690 -4.830 0.324 -3.507 1.00 23.50 N ATOM 472 CA LEU A 690 -6.260 0.671 -3.383 1.00 23.24 C ATOM 473 C LEU A 690 -6.925 -0.124 -2.244 1.00 45.01 C ATOM 474 O LEU A 690 -6.361 -1.096 -1.742 1.00 13.22 O ATOM 475 CB LEU A 690 -7.019 0.394 -4.698 1.00 74.45 C ATOM 476 CG LEU A 690 -6.581 1.207 -5.935 1.00 4.45 C ATOM 477 CD1 LEU A 690 -5.254 0.700 -6.495 1.00 54.13 C ATOM 478 CD2 LEU A 690 -7.667 1.173 -7.009 1.00 51.54 C ATOM 0 H LEU A 690 -4.653 -0.674 -3.621 1.00 23.50 H new ATOM 0 HA LEU A 690 -6.311 1.736 -3.158 1.00 23.24 H new ATOM 0 HB2 LEU A 690 -6.917 -0.665 -4.933 1.00 74.45 H new ATOM 0 HB3 LEU A 690 -8.079 0.581 -4.525 1.00 74.45 H new ATOM 0 HG LEU A 690 -6.434 2.240 -5.620 1.00 4.45 H new ATOM 0 HD11 LEU A 690 -4.975 1.295 -7.365 1.00 54.13 H new ATOM 0 HD12 LEU A 690 -4.480 0.788 -5.733 1.00 54.13 H new ATOM 0 HD13 LEU A 690 -5.358 -0.345 -6.788 1.00 54.13 H new ATOM 0 HD21 LEU A 690 -7.342 1.751 -7.874 1.00 51.54 H new ATOM 0 HD22 LEU A 690 -7.849 0.141 -7.310 1.00 51.54 H new ATOM 0 HD23 LEU A 690 -8.586 1.602 -6.611 1.00 51.54 H new ATOM 490 N ALA A 691 -8.130 0.286 -1.846 1.00 72.42 N ATOM 491 CA ALA A 691 -8.903 -0.444 -0.826 1.00 31.25 C ATOM 492 C ALA A 691 -10.415 -0.310 -1.060 1.00 42.41 C ATOM 493 O ALA A 691 -10.955 0.798 -1.093 1.00 15.11 O ATOM 494 CB ALA A 691 -8.537 0.046 0.570 1.00 43.12 C ATOM 0 H ALA A 691 -8.596 1.117 -2.210 1.00 72.42 H new ATOM 0 HA ALA A 691 -8.646 -1.500 -0.909 1.00 31.25 H new ATOM 0 HB1 ALA A 691 -9.117 -0.503 1.312 1.00 43.12 H new ATOM 0 HB2 ALA A 691 -7.474 -0.118 0.746 1.00 43.12 H new ATOM 0 HB3 ALA A 691 -8.758 1.110 0.652 1.00 43.12 H new ATOM 500 N ILE A 692 -11.097 -1.447 -1.208 1.00 5.03 N ATOM 501 CA ILE A 692 -12.543 -1.469 -1.486 1.00 4.20 C ATOM 502 C ILE A 692 -13.279 -2.473 -0.573 1.00 3.41 C ATOM 503 O ILE A 692 -12.851 -3.616 -0.433 1.00 51.11 O ATOM 504 CB ILE A 692 -12.818 -1.870 -2.964 1.00 55.34 C ATOM 505 CG1 ILE A 692 -12.087 -0.937 -3.952 1.00 32.41 C ATOM 506 CG2 ILE A 692 -14.321 -1.887 -3.252 1.00 11.21 C ATOM 507 CD1 ILE A 692 -12.577 0.495 -3.927 1.00 24.12 C ATOM 0 H ILE A 692 -10.673 -2.372 -1.140 1.00 5.03 H new ATOM 0 HA ILE A 692 -12.913 -0.462 -1.295 1.00 4.20 H new ATOM 0 HB ILE A 692 -12.426 -2.877 -3.108 1.00 55.34 H new ATOM 0 HG12 ILE A 692 -11.021 -0.949 -3.725 1.00 32.41 H new ATOM 0 HG13 ILE A 692 -12.203 -1.332 -4.961 1.00 32.41 H new ATOM 0 HG21 ILE A 692 -14.489 -2.170 -4.291 1.00 11.21 H new ATOM 0 HG22 ILE A 692 -14.809 -2.608 -2.596 1.00 11.21 H new ATOM 0 HG23 ILE A 692 -14.737 -0.895 -3.074 1.00 11.21 H new ATOM 0 HD11 ILE A 692 -12.013 1.085 -4.649 1.00 24.12 H new ATOM 0 HD12 ILE A 692 -13.636 0.522 -4.184 1.00 24.12 H new ATOM 0 HD13 ILE A 692 -12.436 0.911 -2.929 1.00 24.12 H new ATOM 519 N ASP A 693 -14.381 -2.048 0.047 1.00 5.10 N ATOM 520 CA ASP A 693 -15.248 -2.972 0.796 1.00 0.24 C ATOM 521 C ASP A 693 -16.593 -3.128 0.063 1.00 72.50 C ATOM 522 O ASP A 693 -17.252 -2.142 -0.263 1.00 65.23 O ATOM 523 CB ASP A 693 -15.469 -2.483 2.239 1.00 41.14 C ATOM 524 CG ASP A 693 -16.160 -3.516 3.134 1.00 53.14 C ATOM 525 OD1 ASP A 693 -16.593 -4.570 2.623 1.00 74.22 O ATOM 526 OD2 ASP A 693 -16.285 -3.269 4.357 1.00 32.23 O ATOM 0 H ASP A 693 -14.697 -1.078 0.048 1.00 5.10 H new ATOM 0 HA ASP A 693 -14.756 -3.943 0.851 1.00 0.24 H new ATOM 0 HB2 ASP A 693 -14.506 -2.221 2.677 1.00 41.14 H new ATOM 0 HB3 ASP A 693 -16.068 -1.573 2.218 1.00 41.14 H new ATOM 531 N LYS A 694 -16.999 -4.373 -0.165 1.00 11.23 N ATOM 532 CA LYS A 694 -18.191 -4.690 -0.970 1.00 2.45 C ATOM 533 C LYS A 694 -19.472 -4.035 -0.416 1.00 22.22 C ATOM 534 O LYS A 694 -20.415 -3.755 -1.160 1.00 64.31 O ATOM 535 CB LYS A 694 -18.363 -6.215 -1.030 1.00 31.44 C ATOM 536 CG LYS A 694 -19.507 -6.695 -1.926 1.00 72.53 C ATOM 537 CD LYS A 694 -19.623 -8.219 -1.928 1.00 44.35 C ATOM 538 CE LYS A 694 -18.355 -8.888 -2.449 1.00 4.12 C ATOM 539 NZ LYS A 694 -18.445 -10.371 -2.399 1.00 34.41 N ATOM 0 H LYS A 694 -16.517 -5.195 0.199 1.00 11.23 H new ATOM 0 HA LYS A 694 -18.037 -4.283 -1.969 1.00 2.45 H new ATOM 0 HB2 LYS A 694 -17.432 -6.658 -1.384 1.00 31.44 H new ATOM 0 HB3 LYS A 694 -18.530 -6.588 -0.020 1.00 31.44 H new ATOM 0 HG2 LYS A 694 -20.445 -6.259 -1.583 1.00 72.53 H new ATOM 0 HG3 LYS A 694 -19.345 -6.341 -2.944 1.00 72.53 H new ATOM 0 HD2 LYS A 694 -19.828 -8.568 -0.916 1.00 44.35 H new ATOM 0 HD3 LYS A 694 -20.470 -8.517 -2.546 1.00 44.35 H new ATOM 0 HE2 LYS A 694 -18.174 -8.571 -3.476 1.00 4.12 H new ATOM 0 HE3 LYS A 694 -17.501 -8.557 -1.858 1.00 4.12 H new ATOM 0 HZ1 LYS A 694 -17.563 -10.785 -2.762 1.00 34.41 H new ATOM 0 HZ2 LYS A 694 -18.592 -10.677 -1.416 1.00 34.41 H new ATOM 0 HZ3 LYS A 694 -19.243 -10.690 -2.984 1.00 34.41 H new ATOM 553 N GLU A 695 -19.502 -3.804 0.891 1.00 31.42 N ATOM 554 CA GLU A 695 -20.668 -3.196 1.550 1.00 54.02 C ATOM 555 C GLU A 695 -20.658 -1.658 1.438 1.00 13.42 C ATOM 556 O GLU A 695 -21.683 -1.038 1.141 1.00 1.13 O ATOM 557 CB GLU A 695 -20.680 -3.590 3.030 1.00 4.51 C ATOM 558 CG GLU A 695 -19.460 -3.078 3.775 1.00 12.21 C ATOM 559 CD GLU A 695 -19.379 -3.535 5.209 1.00 25.31 C ATOM 560 OE1 GLU A 695 -19.212 -4.744 5.442 1.00 43.13 O ATOM 561 OE2 GLU A 695 -19.395 -2.680 6.115 1.00 32.41 O ATOM 0 H GLU A 695 -18.733 -4.027 1.523 1.00 31.42 H new ATOM 0 HA GLU A 695 -21.562 -3.565 1.047 1.00 54.02 H new ATOM 0 HB2 GLU A 695 -21.581 -3.197 3.501 1.00 4.51 H new ATOM 0 HB3 GLU A 695 -20.724 -4.676 3.114 1.00 4.51 H new ATOM 0 HG2 GLU A 695 -18.563 -3.405 3.249 1.00 12.21 H new ATOM 0 HG3 GLU A 695 -19.464 -1.988 3.752 1.00 12.21 H new ATOM 568 N ASP A 696 -19.494 -1.056 1.674 1.00 11.10 N ATOM 569 CA ASP A 696 -19.368 0.399 1.796 1.00 4.13 C ATOM 570 C ASP A 696 -18.960 1.046 0.461 1.00 52.22 C ATOM 571 O ASP A 696 -19.575 2.016 0.006 1.00 21.33 O ATOM 572 CB ASP A 696 -18.333 0.725 2.889 1.00 74.10 C ATOM 573 CG ASP A 696 -18.377 2.177 3.340 1.00 52.54 C ATOM 574 OD1 ASP A 696 -17.938 3.058 2.575 1.00 74.23 O ATOM 575 OD2 ASP A 696 -18.863 2.443 4.464 1.00 15.22 O ATOM 0 H ASP A 696 -18.614 -1.559 1.786 1.00 11.10 H new ATOM 0 HA ASP A 696 -20.339 0.810 2.071 1.00 4.13 H new ATOM 0 HB2 ASP A 696 -18.506 0.078 3.749 1.00 74.10 H new ATOM 0 HB3 ASP A 696 -17.335 0.497 2.515 1.00 74.10 H new ATOM 580 N GLY A 697 -17.929 0.492 -0.168 1.00 50.31 N ATOM 581 CA GLY A 697 -17.395 1.056 -1.402 1.00 14.01 C ATOM 582 C GLY A 697 -15.904 1.363 -1.302 1.00 54.33 C ATOM 583 O GLY A 697 -15.136 0.567 -0.758 1.00 55.42 O ATOM 0 H GLY A 697 -17.447 -0.346 0.156 1.00 50.31 H new ATOM 0 HA2 GLY A 697 -17.565 0.358 -2.221 1.00 14.01 H new ATOM 0 HA3 GLY A 697 -17.936 1.970 -1.645 1.00 14.01 H new ATOM 587 N ASP A 698 -15.492 2.515 -1.822 1.00 34.43 N ATOM 588 CA ASP A 698 -14.086 2.920 -1.772 1.00 2.44 C ATOM 589 C ASP A 698 -13.655 3.293 -0.346 1.00 75.31 C ATOM 590 O ASP A 698 -14.188 4.227 0.263 1.00 55.15 O ATOM 591 CB ASP A 698 -13.830 4.098 -2.722 1.00 45.34 C ATOM 592 CG ASP A 698 -12.368 4.521 -2.745 1.00 21.50 C ATOM 593 OD1 ASP A 698 -11.975 5.387 -1.933 1.00 12.24 O ATOM 594 OD2 ASP A 698 -11.599 3.991 -3.569 1.00 10.22 O ATOM 0 H ASP A 698 -16.108 3.185 -2.282 1.00 34.43 H new ATOM 0 HA ASP A 698 -13.489 2.066 -2.093 1.00 2.44 H new ATOM 0 HB2 ASP A 698 -14.141 3.822 -3.730 1.00 45.34 H new ATOM 0 HB3 ASP A 698 -14.445 4.945 -2.419 1.00 45.34 H new ATOM 599 N LEU A 699 -12.691 2.549 0.181 1.00 45.13 N ATOM 600 CA LEU A 699 -12.083 2.859 1.478 1.00 43.01 C ATOM 601 C LEU A 699 -10.591 3.193 1.313 1.00 73.22 C ATOM 602 O LEU A 699 -9.829 3.184 2.279 1.00 3.42 O ATOM 603 CB LEU A 699 -12.258 1.680 2.448 1.00 11.53 C ATOM 604 CG LEU A 699 -13.712 1.346 2.826 1.00 71.24 C ATOM 605 CD1 LEU A 699 -13.761 0.188 3.822 1.00 2.33 C ATOM 606 CD2 LEU A 699 -14.421 2.575 3.393 1.00 0.50 C ATOM 0 H LEU A 699 -12.308 1.719 -0.271 1.00 45.13 H new ATOM 0 HA LEU A 699 -12.589 3.731 1.892 1.00 43.01 H new ATOM 0 HB2 LEU A 699 -11.804 0.795 2.003 1.00 11.53 H new ATOM 0 HB3 LEU A 699 -11.704 1.898 3.361 1.00 11.53 H new ATOM 0 HG LEU A 699 -14.235 1.039 1.920 1.00 71.24 H new ATOM 0 HD11 LEU A 699 -14.798 -0.031 4.075 1.00 2.33 H new ATOM 0 HD12 LEU A 699 -13.302 -0.695 3.377 1.00 2.33 H new ATOM 0 HD13 LEU A 699 -13.217 0.462 4.726 1.00 2.33 H new ATOM 0 HD21 LEU A 699 -15.447 2.315 3.653 1.00 0.50 H new ATOM 0 HD22 LEU A 699 -13.896 2.919 4.285 1.00 0.50 H new ATOM 0 HD23 LEU A 699 -14.426 3.369 2.646 1.00 0.50 H new ATOM 618 N THR A 700 -10.191 3.520 0.083 1.00 72.54 N ATOM 619 CA THR A 700 -8.787 3.837 -0.233 1.00 32.32 C ATOM 620 C THR A 700 -8.282 5.055 0.560 1.00 2.04 C ATOM 621 O THR A 700 -7.091 5.177 0.849 1.00 43.13 O ATOM 622 CB THR A 700 -8.594 4.099 -1.751 1.00 12.33 C ATOM 623 OG1 THR A 700 -9.072 2.976 -2.516 1.00 74.05 O ATOM 624 CG2 THR A 700 -7.127 4.351 -2.095 1.00 24.11 C ATOM 0 H THR A 700 -10.820 3.574 -0.718 1.00 72.54 H new ATOM 0 HA THR A 700 -8.201 2.965 0.057 1.00 32.32 H new ATOM 0 HB THR A 700 -9.168 4.991 -2.003 1.00 12.33 H new ATOM 0 HG1 THR A 700 -9.926 3.207 -2.938 1.00 74.05 H new ATOM 0 HG21 THR A 700 -7.030 4.530 -3.166 1.00 24.11 H new ATOM 0 HG22 THR A 700 -6.769 5.223 -1.547 1.00 24.11 H new ATOM 0 HG23 THR A 700 -6.533 3.480 -1.818 1.00 24.11 H new ATOM 632 N SER A 701 -9.194 5.952 0.925 1.00 0.11 N ATOM 633 CA SER A 701 -8.837 7.140 1.719 1.00 32.33 C ATOM 634 C SER A 701 -8.663 6.792 3.209 1.00 12.03 C ATOM 635 O SER A 701 -8.120 7.578 3.986 1.00 15.40 O ATOM 636 CB SER A 701 -9.904 8.231 1.559 1.00 43.15 C ATOM 637 OG SER A 701 -9.517 9.433 2.205 1.00 72.44 O ATOM 0 H SER A 701 -10.184 5.886 0.688 1.00 0.11 H new ATOM 0 HA SER A 701 -7.883 7.512 1.344 1.00 32.33 H new ATOM 0 HB2 SER A 701 -10.073 8.424 0.500 1.00 43.15 H new ATOM 0 HB3 SER A 701 -10.849 7.881 1.974 1.00 43.15 H new ATOM 0 HG SER A 701 -9.018 9.220 3.021 1.00 72.44 H new ATOM 643 N LYS A 702 -9.118 5.600 3.597 1.00 32.24 N ATOM 644 CA LYS A 702 -9.011 5.130 4.989 1.00 74.54 C ATOM 645 C LYS A 702 -7.693 4.366 5.226 1.00 33.22 C ATOM 646 O LYS A 702 -7.491 3.768 6.287 1.00 61.45 O ATOM 647 CB LYS A 702 -10.198 4.210 5.324 1.00 4.42 C ATOM 648 CG LYS A 702 -11.575 4.820 5.048 1.00 23.42 C ATOM 649 CD LYS A 702 -11.912 5.970 6.000 1.00 13.53 C ATOM 650 CE LYS A 702 -13.306 6.535 5.721 1.00 63.02 C ATOM 651 NZ LYS A 702 -13.691 7.610 6.674 1.00 51.15 N ATOM 0 H LYS A 702 -9.567 4.935 2.967 1.00 32.24 H new ATOM 0 HA LYS A 702 -9.023 6.006 5.638 1.00 74.54 H new ATOM 0 HB2 LYS A 702 -10.101 3.289 4.748 1.00 4.42 H new ATOM 0 HB3 LYS A 702 -10.142 3.935 6.377 1.00 4.42 H new ATOM 0 HG2 LYS A 702 -11.608 5.182 4.021 1.00 23.42 H new ATOM 0 HG3 LYS A 702 -12.336 4.045 5.137 1.00 23.42 H new ATOM 0 HD2 LYS A 702 -11.860 5.619 7.030 1.00 13.53 H new ATOM 0 HD3 LYS A 702 -11.169 6.761 5.895 1.00 13.53 H new ATOM 0 HE2 LYS A 702 -13.338 6.928 4.705 1.00 63.02 H new ATOM 0 HE3 LYS A 702 -14.038 5.729 5.774 1.00 63.02 H new ATOM 0 HZ1 LYS A 702 -14.643 7.957 6.440 1.00 51.15 H new ATOM 0 HZ2 LYS A 702 -13.689 7.232 7.643 1.00 51.15 H new ATOM 0 HZ3 LYS A 702 -13.011 8.394 6.607 1.00 51.15 H new ATOM 665 N ILE A 703 -6.807 4.381 4.230 1.00 44.34 N ATOM 666 CA ILE A 703 -5.535 3.649 4.303 1.00 13.02 C ATOM 667 C ILE A 703 -4.436 4.462 5.008 1.00 74.12 C ATOM 668 O ILE A 703 -4.295 5.667 4.796 1.00 25.14 O ATOM 669 CB ILE A 703 -5.021 3.257 2.890 1.00 51.53 C ATOM 670 CG1 ILE A 703 -6.072 2.440 2.125 1.00 31.32 C ATOM 671 CG2 ILE A 703 -3.707 2.473 2.986 1.00 2.30 C ATOM 672 CD1 ILE A 703 -5.654 2.086 0.709 1.00 23.04 C ATOM 0 H ILE A 703 -6.944 4.893 3.359 1.00 44.34 H new ATOM 0 HA ILE A 703 -5.743 2.751 4.884 1.00 13.02 H new ATOM 0 HB ILE A 703 -4.837 4.179 2.338 1.00 51.53 H new ATOM 0 HG12 ILE A 703 -6.277 1.521 2.675 1.00 31.32 H new ATOM 0 HG13 ILE A 703 -7.004 3.005 2.089 1.00 31.32 H new ATOM 0 HG21 ILE A 703 -3.367 2.209 1.985 1.00 2.30 H new ATOM 0 HG22 ILE A 703 -2.952 3.087 3.476 1.00 2.30 H new ATOM 0 HG23 ILE A 703 -3.867 1.564 3.566 1.00 2.30 H new ATOM 0 HD11 ILE A 703 -6.445 1.509 0.230 1.00 23.04 H new ATOM 0 HD12 ILE A 703 -5.477 3.000 0.142 1.00 23.04 H new ATOM 0 HD13 ILE A 703 -4.739 1.494 0.737 1.00 23.04 H new ATOM 684 N LYS A 704 -3.665 3.787 5.851 1.00 34.41 N ATOM 685 CA LYS A 704 -2.464 4.366 6.456 1.00 63.01 C ATOM 686 C LYS A 704 -1.214 3.872 5.707 1.00 61.21 C ATOM 687 O LYS A 704 -1.149 2.706 5.309 1.00 52.02 O ATOM 688 CB LYS A 704 -2.373 3.963 7.932 1.00 22.25 C ATOM 689 CG LYS A 704 -1.161 4.545 8.656 1.00 32.12 C ATOM 690 CD LYS A 704 -0.876 3.805 9.956 1.00 4.25 C ATOM 691 CE LYS A 704 0.373 4.337 10.648 1.00 72.10 C ATOM 692 NZ LYS A 704 0.868 3.395 11.686 1.00 24.53 N ATOM 0 H LYS A 704 -3.850 2.825 6.136 1.00 34.41 H new ATOM 0 HA LYS A 704 -2.521 5.452 6.386 1.00 63.01 H new ATOM 0 HB2 LYS A 704 -3.280 4.286 8.444 1.00 22.25 H new ATOM 0 HB3 LYS A 704 -2.338 2.876 8.001 1.00 22.25 H new ATOM 0 HG2 LYS A 704 -0.287 4.490 8.006 1.00 32.12 H new ATOM 0 HG3 LYS A 704 -1.335 5.600 8.868 1.00 32.12 H new ATOM 0 HD2 LYS A 704 -1.731 3.902 10.625 1.00 4.25 H new ATOM 0 HD3 LYS A 704 -0.752 2.742 9.749 1.00 4.25 H new ATOM 0 HE2 LYS A 704 1.155 4.507 9.908 1.00 72.10 H new ATOM 0 HE3 LYS A 704 0.153 5.301 11.106 1.00 72.10 H new ATOM 0 HZ1 LYS A 704 1.075 3.919 12.560 1.00 24.53 H new ATOM 0 HZ2 LYS A 704 0.141 2.676 11.877 1.00 24.53 H new ATOM 0 HZ3 LYS A 704 1.735 2.930 11.348 1.00 24.53 H new ATOM 706 N VAL A 705 -0.234 4.753 5.507 1.00 11.02 N ATOM 707 CA VAL A 705 1.001 4.392 4.797 1.00 74.10 C ATOM 708 C VAL A 705 2.221 4.385 5.738 1.00 73.33 C ATOM 709 O VAL A 705 2.649 5.429 6.235 1.00 32.30 O ATOM 710 CB VAL A 705 1.275 5.358 3.613 1.00 4.23 C ATOM 711 CG1 VAL A 705 2.548 4.959 2.865 1.00 20.22 C ATOM 712 CG2 VAL A 705 0.079 5.398 2.658 1.00 62.42 C ATOM 0 H VAL A 705 -0.268 5.722 5.825 1.00 11.02 H new ATOM 0 HA VAL A 705 0.852 3.384 4.410 1.00 74.10 H new ATOM 0 HB VAL A 705 1.421 6.358 4.022 1.00 4.23 H new ATOM 0 HG11 VAL A 705 2.718 5.651 2.040 1.00 20.22 H new ATOM 0 HG12 VAL A 705 3.397 4.993 3.548 1.00 20.22 H new ATOM 0 HG13 VAL A 705 2.438 3.948 2.473 1.00 20.22 H new ATOM 0 HG21 VAL A 705 0.293 6.081 1.836 1.00 62.42 H new ATOM 0 HG22 VAL A 705 -0.104 4.399 2.262 1.00 62.42 H new ATOM 0 HG23 VAL A 705 -0.804 5.742 3.196 1.00 62.42 H new ATOM 722 N ASP A 706 2.772 3.197 5.974 1.00 31.02 N ATOM 723 CA ASP A 706 3.971 3.034 6.801 1.00 40.42 C ATOM 724 C ASP A 706 5.209 2.724 5.940 1.00 40.30 C ATOM 725 O ASP A 706 5.143 1.926 5.001 1.00 1.34 O ATOM 726 CB ASP A 706 3.756 1.907 7.817 1.00 63.44 C ATOM 727 CG ASP A 706 2.668 2.230 8.824 1.00 14.44 C ATOM 728 OD1 ASP A 706 1.491 1.920 8.557 1.00 34.33 O ATOM 729 OD2 ASP A 706 2.993 2.778 9.900 1.00 3.13 O ATOM 0 H ASP A 706 2.404 2.322 5.601 1.00 31.02 H new ATOM 0 HA ASP A 706 4.146 3.973 7.325 1.00 40.42 H new ATOM 0 HB2 ASP A 706 3.496 0.990 7.288 1.00 63.44 H new ATOM 0 HB3 ASP A 706 4.690 1.716 8.345 1.00 63.44 H new ATOM 734 N GLY A 707 6.334 3.352 6.273 1.00 44.20 N ATOM 735 CA GLY A 707 7.586 3.098 5.562 1.00 24.34 C ATOM 736 C GLY A 707 7.941 4.183 4.546 1.00 0.23 C ATOM 737 O GLY A 707 7.224 5.179 4.407 1.00 71.21 O ATOM 0 H GLY A 707 6.405 4.037 7.026 1.00 44.20 H new ATOM 0 HA2 GLY A 707 8.395 3.012 6.287 1.00 24.34 H new ATOM 0 HA3 GLY A 707 7.515 2.139 5.048 1.00 24.34 H new ATOM 741 N GLU A 708 9.051 3.987 3.834 1.00 41.34 N ATOM 742 CA GLU A 708 9.501 4.938 2.807 1.00 70.35 C ATOM 743 C GLU A 708 10.512 4.290 1.846 1.00 42.14 C ATOM 744 O GLU A 708 11.306 3.436 2.243 1.00 43.13 O ATOM 745 CB GLU A 708 10.129 6.182 3.458 1.00 61.33 C ATOM 746 CG GLU A 708 10.630 7.218 2.451 1.00 20.34 C ATOM 747 CD GLU A 708 11.313 8.407 3.108 1.00 45.51 C ATOM 748 OE1 GLU A 708 12.508 8.298 3.455 1.00 44.53 O ATOM 749 OE2 GLU A 708 10.659 9.453 3.288 1.00 61.11 O ATOM 0 H GLU A 708 9.660 3.176 3.947 1.00 41.34 H new ATOM 0 HA GLU A 708 8.624 5.237 2.233 1.00 70.35 H new ATOM 0 HB2 GLU A 708 9.392 6.650 4.111 1.00 61.33 H new ATOM 0 HB3 GLU A 708 10.961 5.870 4.089 1.00 61.33 H new ATOM 0 HG2 GLU A 708 11.328 6.740 1.764 1.00 20.34 H new ATOM 0 HG3 GLU A 708 9.789 7.573 1.855 1.00 20.34 H new ATOM 756 N VAL A 709 10.468 4.700 0.579 1.00 33.42 N ATOM 757 CA VAL A 709 11.413 4.218 -0.436 1.00 53.40 C ATOM 758 C VAL A 709 12.259 5.374 -0.989 1.00 22.15 C ATOM 759 O VAL A 709 11.718 6.336 -1.539 1.00 12.11 O ATOM 760 CB VAL A 709 10.673 3.533 -1.615 1.00 1.34 C ATOM 761 CG1 VAL A 709 11.658 3.064 -2.684 1.00 43.31 C ATOM 762 CG2 VAL A 709 9.828 2.367 -1.115 1.00 20.21 C ATOM 0 H VAL A 709 9.784 5.369 0.226 1.00 33.42 H new ATOM 0 HA VAL A 709 12.061 3.490 0.052 1.00 53.40 H new ATOM 0 HB VAL A 709 10.010 4.270 -2.068 1.00 1.34 H new ATOM 0 HG11 VAL A 709 11.112 2.588 -3.498 1.00 43.31 H new ATOM 0 HG12 VAL A 709 12.211 3.920 -3.070 1.00 43.31 H new ATOM 0 HG13 VAL A 709 12.355 2.349 -2.248 1.00 43.31 H new ATOM 0 HG21 VAL A 709 9.317 1.900 -1.957 1.00 20.21 H new ATOM 0 HG22 VAL A 709 10.471 1.634 -0.629 1.00 20.21 H new ATOM 0 HG23 VAL A 709 9.090 2.732 -0.401 1.00 20.21 H new ATOM 772 N ASP A 710 13.578 5.288 -0.836 1.00 72.42 N ATOM 773 CA ASP A 710 14.472 6.313 -1.378 1.00 0.30 C ATOM 774 C ASP A 710 14.668 6.148 -2.891 1.00 33.15 C ATOM 775 O ASP A 710 14.886 5.042 -3.383 1.00 42.35 O ATOM 776 CB ASP A 710 15.838 6.257 -0.692 1.00 34.24 C ATOM 777 CG ASP A 710 15.745 6.451 0.807 1.00 52.33 C ATOM 778 OD1 ASP A 710 15.589 7.603 1.254 1.00 3.14 O ATOM 779 OD2 ASP A 710 15.848 5.450 1.546 1.00 31.22 O ATOM 0 H ASP A 710 14.050 4.528 -0.346 1.00 72.42 H new ATOM 0 HA ASP A 710 14.003 7.278 -1.187 1.00 0.30 H new ATOM 0 HB2 ASP A 710 16.307 5.296 -0.902 1.00 34.24 H new ATOM 0 HB3 ASP A 710 16.485 7.026 -1.115 1.00 34.24 H new ATOM 784 N THR A 711 14.612 7.258 -3.621 1.00 13.55 N ATOM 785 CA THR A 711 14.916 7.259 -5.059 1.00 23.11 C ATOM 786 C THR A 711 16.361 7.706 -5.314 1.00 22.32 C ATOM 787 O THR A 711 16.815 7.755 -6.456 1.00 12.40 O ATOM 788 CB THR A 711 13.961 8.182 -5.853 1.00 64.34 C ATOM 789 OG1 THR A 711 14.047 9.528 -5.360 1.00 35.43 O ATOM 790 CG2 THR A 711 12.519 7.692 -5.757 1.00 73.24 C ATOM 0 H THR A 711 14.359 8.172 -3.245 1.00 13.55 H new ATOM 0 HA THR A 711 14.780 6.234 -5.404 1.00 23.11 H new ATOM 0 HB THR A 711 14.266 8.160 -6.899 1.00 64.34 H new ATOM 0 HG1 THR A 711 13.440 10.103 -5.871 1.00 35.43 H new ATOM 0 HG21 THR A 711 11.870 8.359 -6.324 1.00 73.24 H new ATOM 0 HG22 THR A 711 12.449 6.684 -6.166 1.00 73.24 H new ATOM 0 HG23 THR A 711 12.207 7.683 -4.713 1.00 73.24 H new ATOM 798 N THR A 712 17.074 8.037 -4.237 1.00 54.02 N ATOM 799 CA THR A 712 18.488 8.444 -4.319 1.00 63.33 C ATOM 800 C THR A 712 19.434 7.337 -3.827 1.00 11.53 C ATOM 801 O THR A 712 20.646 7.396 -4.048 1.00 15.32 O ATOM 802 CB THR A 712 18.754 9.728 -3.495 1.00 0.31 C ATOM 803 OG1 THR A 712 20.145 10.082 -3.566 1.00 61.42 O ATOM 804 CG2 THR A 712 18.345 9.549 -2.032 1.00 25.24 C ATOM 0 H THR A 712 16.697 8.033 -3.289 1.00 54.02 H new ATOM 0 HA THR A 712 18.688 8.638 -5.373 1.00 63.33 H new ATOM 0 HB THR A 712 18.150 10.528 -3.923 1.00 0.31 H new ATOM 0 HG1 THR A 712 20.662 9.313 -3.884 1.00 61.42 H new ATOM 0 HG21 THR A 712 18.545 10.469 -1.483 1.00 25.24 H new ATOM 0 HG22 THR A 712 17.281 9.318 -1.977 1.00 25.24 H new ATOM 0 HG23 THR A 712 18.917 8.732 -1.592 1.00 25.24 H new ATOM 812 N LYS A 713 18.882 6.324 -3.158 1.00 23.54 N ATOM 813 CA LYS A 713 19.692 5.228 -2.607 1.00 62.44 C ATOM 814 C LYS A 713 19.138 3.855 -3.012 1.00 14.10 C ATOM 815 O LYS A 713 17.956 3.567 -2.813 1.00 15.11 O ATOM 816 CB LYS A 713 19.767 5.334 -1.074 1.00 21.35 C ATOM 817 CG LYS A 713 20.602 4.228 -0.426 1.00 3.43 C ATOM 818 CD LYS A 713 20.767 4.404 1.087 1.00 24.43 C ATOM 819 CE LYS A 713 19.453 4.243 1.857 1.00 22.41 C ATOM 820 NZ LYS A 713 18.565 5.431 1.733 1.00 62.14 N ATOM 0 H LYS A 713 17.881 6.236 -2.983 1.00 23.54 H new ATOM 0 HA LYS A 713 20.695 5.321 -3.023 1.00 62.44 H new ATOM 0 HB2 LYS A 713 20.189 6.302 -0.805 1.00 21.35 H new ATOM 0 HB3 LYS A 713 18.757 5.302 -0.666 1.00 21.35 H new ATOM 0 HG2 LYS A 713 20.133 3.264 -0.624 1.00 3.43 H new ATOM 0 HG3 LYS A 713 21.587 4.205 -0.892 1.00 3.43 H new ATOM 0 HD2 LYS A 713 21.489 3.675 1.455 1.00 24.43 H new ATOM 0 HD3 LYS A 713 21.181 5.392 1.289 1.00 24.43 H new ATOM 0 HE2 LYS A 713 18.927 3.362 1.490 1.00 22.41 H new ATOM 0 HE3 LYS A 713 19.673 4.067 2.910 1.00 22.41 H new ATOM 0 HZ1 LYS A 713 18.345 5.800 2.680 1.00 62.14 H new ATOM 0 HZ2 LYS A 713 19.046 6.167 1.178 1.00 62.14 H new ATOM 0 HZ3 LYS A 713 17.683 5.157 1.254 1.00 62.14 H new ATOM 834 N ALA A 714 20.003 3.015 -3.572 1.00 3.12 N ATOM 835 CA ALA A 714 19.627 1.652 -3.964 1.00 75.24 C ATOM 836 C ALA A 714 19.428 0.744 -2.743 1.00 52.33 C ATOM 837 O ALA A 714 20.127 0.875 -1.739 1.00 54.20 O ATOM 838 CB ALA A 714 20.680 1.058 -4.885 1.00 31.12 C ATOM 0 H ALA A 714 20.976 3.252 -3.767 1.00 3.12 H new ATOM 0 HA ALA A 714 18.677 1.714 -4.494 1.00 75.24 H new ATOM 0 HB1 ALA A 714 20.388 0.047 -5.168 1.00 31.12 H new ATOM 0 HB2 ALA A 714 20.769 1.673 -5.780 1.00 31.12 H new ATOM 0 HB3 ALA A 714 21.639 1.027 -4.369 1.00 31.12 H new ATOM 844 N GLY A 715 18.474 -0.174 -2.835 1.00 63.33 N ATOM 845 CA GLY A 715 18.202 -1.090 -1.731 1.00 51.13 C ATOM 846 C GLY A 715 16.761 -1.583 -1.707 1.00 55.41 C ATOM 847 O GLY A 715 15.922 -1.106 -2.471 1.00 3.42 O ATOM 0 H GLY A 715 17.880 -0.305 -3.654 1.00 63.33 H new ATOM 0 HA2 GLY A 715 18.872 -1.947 -1.804 1.00 51.13 H new ATOM 0 HA3 GLY A 715 18.425 -0.590 -0.788 1.00 51.13 H new ATOM 851 N THR A 716 16.467 -2.546 -0.839 1.00 42.12 N ATOM 852 CA THR A 716 15.105 -3.085 -0.716 1.00 72.40 C ATOM 853 C THR A 716 14.372 -2.480 0.489 1.00 35.34 C ATOM 854 O THR A 716 14.824 -2.595 1.630 1.00 34.13 O ATOM 855 CB THR A 716 15.111 -4.632 -0.592 1.00 21.40 C ATOM 856 OG1 THR A 716 15.629 -5.221 -1.796 1.00 51.24 O ATOM 857 CG2 THR A 716 13.711 -5.177 -0.327 1.00 51.13 C ATOM 0 H THR A 716 17.147 -2.972 -0.209 1.00 42.12 H new ATOM 0 HA THR A 716 14.576 -2.810 -1.628 1.00 72.40 H new ATOM 0 HB THR A 716 15.748 -4.893 0.253 1.00 21.40 H new ATOM 0 HG1 THR A 716 15.631 -6.197 -1.708 1.00 51.24 H new ATOM 0 HG21 THR A 716 13.753 -6.263 -0.246 1.00 51.13 H new ATOM 0 HG22 THR A 716 13.328 -4.758 0.603 1.00 51.13 H new ATOM 0 HG23 THR A 716 13.051 -4.900 -1.149 1.00 51.13 H new ATOM 865 N TYR A 717 13.229 -1.852 0.225 1.00 63.14 N ATOM 866 CA TYR A 717 12.431 -1.193 1.265 1.00 41.35 C ATOM 867 C TYR A 717 11.036 -1.832 1.362 1.00 21.14 C ATOM 868 O TYR A 717 10.386 -2.080 0.344 1.00 31.35 O ATOM 869 CB TYR A 717 12.298 0.306 0.956 1.00 25.13 C ATOM 870 CG TYR A 717 13.623 0.995 0.673 1.00 73.14 C ATOM 871 CD1 TYR A 717 14.377 1.562 1.697 1.00 45.22 C ATOM 872 CD2 TYR A 717 14.123 1.072 -0.624 1.00 24.35 C ATOM 873 CE1 TYR A 717 15.582 2.186 1.435 1.00 54.21 C ATOM 874 CE2 TYR A 717 15.327 1.694 -0.891 1.00 23.22 C ATOM 875 CZ TYR A 717 16.053 2.248 0.140 1.00 34.41 C ATOM 876 OH TYR A 717 17.255 2.864 -0.126 1.00 23.11 O ATOM 0 H TYR A 717 12.828 -1.784 -0.710 1.00 63.14 H new ATOM 0 HA TYR A 717 12.939 -1.318 2.221 1.00 41.35 H new ATOM 0 HB2 TYR A 717 11.642 0.433 0.095 1.00 25.13 H new ATOM 0 HB3 TYR A 717 11.815 0.800 1.800 1.00 25.13 H new ATOM 0 HD1 TYR A 717 14.014 1.513 2.713 1.00 45.22 H new ATOM 0 HD2 TYR A 717 13.559 0.637 -1.436 1.00 24.35 H new ATOM 0 HE1 TYR A 717 16.153 2.623 2.241 1.00 54.21 H new ATOM 0 HE2 TYR A 717 15.698 1.746 -1.904 1.00 23.22 H new ATOM 0 HH TYR A 717 17.337 3.019 -1.090 1.00 23.11 H new ATOM 886 N VAL A 718 10.579 -2.095 2.583 1.00 21.43 N ATOM 887 CA VAL A 718 9.275 -2.735 2.800 1.00 72.53 C ATOM 888 C VAL A 718 8.203 -1.711 3.202 1.00 62.54 C ATOM 889 O VAL A 718 8.274 -1.102 4.272 1.00 44.01 O ATOM 890 CB VAL A 718 9.365 -3.835 3.887 1.00 24.13 C ATOM 891 CG1 VAL A 718 8.019 -4.542 4.068 1.00 2.30 C ATOM 892 CG2 VAL A 718 10.469 -4.838 3.547 1.00 3.32 C ATOM 0 H VAL A 718 11.088 -1.877 3.440 1.00 21.43 H new ATOM 0 HA VAL A 718 8.987 -3.191 1.853 1.00 72.53 H new ATOM 0 HB VAL A 718 9.618 -3.357 4.833 1.00 24.13 H new ATOM 0 HG11 VAL A 718 8.111 -5.309 4.837 1.00 2.30 H new ATOM 0 HG12 VAL A 718 7.264 -3.816 4.369 1.00 2.30 H new ATOM 0 HG13 VAL A 718 7.722 -5.005 3.127 1.00 2.30 H new ATOM 0 HG21 VAL A 718 10.517 -5.603 4.322 1.00 3.32 H new ATOM 0 HG22 VAL A 718 10.252 -5.307 2.587 1.00 3.32 H new ATOM 0 HG23 VAL A 718 11.426 -4.320 3.489 1.00 3.32 H new ATOM 902 N LEU A 719 7.214 -1.521 2.334 1.00 21.04 N ATOM 903 CA LEU A 719 6.108 -0.596 2.607 1.00 42.31 C ATOM 904 C LEU A 719 4.904 -1.333 3.209 1.00 75.04 C ATOM 905 O LEU A 719 4.466 -2.356 2.685 1.00 53.13 O ATOM 906 CB LEU A 719 5.689 0.123 1.317 1.00 33.12 C ATOM 907 CG LEU A 719 6.781 0.984 0.660 1.00 1.20 C ATOM 908 CD1 LEU A 719 6.267 1.623 -0.624 1.00 21.20 C ATOM 909 CD2 LEU A 719 7.284 2.053 1.630 1.00 15.11 C ATOM 0 H LEU A 719 7.152 -1.994 1.433 1.00 21.04 H new ATOM 0 HA LEU A 719 6.456 0.139 3.333 1.00 42.31 H new ATOM 0 HB2 LEU A 719 5.356 -0.624 0.596 1.00 33.12 H new ATOM 0 HB3 LEU A 719 4.831 0.759 1.537 1.00 33.12 H new ATOM 0 HG LEU A 719 7.617 0.333 0.405 1.00 1.20 H new ATOM 0 HD11 LEU A 719 7.056 2.227 -1.071 1.00 21.20 H new ATOM 0 HD12 LEU A 719 5.967 0.843 -1.324 1.00 21.20 H new ATOM 0 HD13 LEU A 719 5.410 2.257 -0.397 1.00 21.20 H new ATOM 0 HD21 LEU A 719 8.056 2.650 1.145 1.00 15.11 H new ATOM 0 HD22 LEU A 719 6.455 2.698 1.922 1.00 15.11 H new ATOM 0 HD23 LEU A 719 7.700 1.574 2.516 1.00 15.11 H new ATOM 921 N THR A 720 4.366 -0.805 4.305 1.00 10.32 N ATOM 922 CA THR A 720 3.225 -1.431 4.990 1.00 34.22 C ATOM 923 C THR A 720 1.968 -0.554 4.890 1.00 20.41 C ATOM 924 O THR A 720 2.024 0.652 5.116 1.00 15.32 O ATOM 925 CB THR A 720 3.543 -1.696 6.485 1.00 64.52 C ATOM 926 OG1 THR A 720 4.791 -2.402 6.606 1.00 3.45 O ATOM 927 CG2 THR A 720 2.437 -2.511 7.151 1.00 22.33 C ATOM 0 H THR A 720 4.698 0.055 4.742 1.00 10.32 H new ATOM 0 HA THR A 720 3.038 -2.382 4.491 1.00 34.22 H new ATOM 0 HB THR A 720 3.613 -0.731 6.986 1.00 64.52 H new ATOM 0 HG1 THR A 720 4.985 -2.564 7.553 1.00 3.45 H new ATOM 0 HG21 THR A 720 2.690 -2.680 8.198 1.00 22.33 H new ATOM 0 HG22 THR A 720 1.495 -1.966 7.088 1.00 22.33 H new ATOM 0 HG23 THR A 720 2.336 -3.470 6.643 1.00 22.33 H new ATOM 935 N TYR A 721 0.839 -1.161 4.533 1.00 74.30 N ATOM 936 CA TYR A 721 -0.428 -0.430 4.389 1.00 64.44 C ATOM 937 C TYR A 721 -1.524 -1.054 5.262 1.00 42.33 C ATOM 938 O TYR A 721 -1.619 -2.276 5.372 1.00 3.01 O ATOM 939 CB TYR A 721 -0.875 -0.430 2.920 1.00 33.31 C ATOM 940 CG TYR A 721 0.189 0.070 1.961 1.00 21.32 C ATOM 941 CD1 TYR A 721 0.322 1.426 1.672 1.00 44.42 C ATOM 942 CD2 TYR A 721 1.070 -0.820 1.352 1.00 10.14 C ATOM 943 CE1 TYR A 721 1.296 1.877 0.801 1.00 0.45 C ATOM 944 CE2 TYR A 721 2.045 -0.376 0.481 1.00 70.21 C ATOM 945 CZ TYR A 721 2.156 0.972 0.211 1.00 30.10 C ATOM 946 OH TYR A 721 3.130 1.416 -0.655 1.00 44.35 O ATOM 0 H TYR A 721 0.770 -2.160 4.337 1.00 74.30 H new ATOM 0 HA TYR A 721 -0.265 0.596 4.718 1.00 64.44 H new ATOM 0 HB2 TYR A 721 -1.161 -1.443 2.636 1.00 33.31 H new ATOM 0 HB3 TYR A 721 -1.764 0.192 2.820 1.00 33.31 H new ATOM 0 HD1 TYR A 721 -0.346 2.136 2.136 1.00 44.42 H new ATOM 0 HD2 TYR A 721 0.989 -1.876 1.565 1.00 10.14 H new ATOM 0 HE1 TYR A 721 1.384 2.931 0.583 1.00 0.45 H new ATOM 0 HE2 TYR A 721 2.717 -1.080 0.014 1.00 70.21 H new ATOM 0 HH TYR A 721 3.391 0.687 -1.255 1.00 44.35 H new ATOM 956 N THR A 722 -2.354 -0.214 5.876 1.00 23.24 N ATOM 957 CA THR A 722 -3.438 -0.695 6.748 1.00 3.22 C ATOM 958 C THR A 722 -4.714 0.137 6.557 1.00 13.20 C ATOM 959 O THR A 722 -4.695 1.355 6.720 1.00 4.43 O ATOM 960 CB THR A 722 -3.016 -0.650 8.241 1.00 23.11 C ATOM 961 OG1 THR A 722 -1.806 -1.398 8.433 1.00 73.43 O ATOM 962 CG2 THR A 722 -4.100 -1.223 9.142 1.00 33.22 C ATOM 0 H THR A 722 -2.302 0.801 5.790 1.00 23.24 H new ATOM 0 HA THR A 722 -3.642 -1.728 6.466 1.00 3.22 H new ATOM 0 HB THR A 722 -2.857 0.395 8.507 1.00 23.11 H new ATOM 0 HG1 THR A 722 -1.546 -1.363 9.377 1.00 73.43 H new ATOM 0 HG21 THR A 722 -3.772 -1.176 10.180 1.00 33.22 H new ATOM 0 HG22 THR A 722 -5.015 -0.643 9.024 1.00 33.22 H new ATOM 0 HG23 THR A 722 -4.290 -2.261 8.868 1.00 33.22 H new ATOM 970 N VAL A 723 -5.824 -0.521 6.217 1.00 12.44 N ATOM 971 CA VAL A 723 -7.084 0.186 5.933 1.00 60.05 C ATOM 972 C VAL A 723 -8.178 -0.141 6.965 1.00 23.34 C ATOM 973 O VAL A 723 -8.317 -1.287 7.405 1.00 24.13 O ATOM 974 CB VAL A 723 -7.603 -0.137 4.506 1.00 12.13 C ATOM 975 CG1 VAL A 723 -7.838 -1.634 4.332 1.00 45.01 C ATOM 976 CG2 VAL A 723 -8.874 0.657 4.191 1.00 33.23 C ATOM 0 H VAL A 723 -5.881 -1.536 6.131 1.00 12.44 H new ATOM 0 HA VAL A 723 -6.860 1.251 5.999 1.00 60.05 H new ATOM 0 HB VAL A 723 -6.833 0.165 3.796 1.00 12.13 H new ATOM 0 HG11 VAL A 723 -8.201 -1.830 3.323 1.00 45.01 H new ATOM 0 HG12 VAL A 723 -6.903 -2.170 4.492 1.00 45.01 H new ATOM 0 HG13 VAL A 723 -8.579 -1.973 5.057 1.00 45.01 H new ATOM 0 HG21 VAL A 723 -9.216 0.412 3.186 1.00 33.23 H new ATOM 0 HG22 VAL A 723 -9.651 0.401 4.911 1.00 33.23 H new ATOM 0 HG23 VAL A 723 -8.661 1.724 4.252 1.00 33.23 H new ATOM 986 N THR A 724 -8.957 0.876 7.338 1.00 44.20 N ATOM 987 CA THR A 724 -10.032 0.720 8.330 1.00 63.13 C ATOM 988 C THR A 724 -11.418 0.645 7.664 1.00 53.32 C ATOM 989 O THR A 724 -11.675 1.303 6.655 1.00 63.31 O ATOM 990 CB THR A 724 -10.030 1.891 9.345 1.00 33.51 C ATOM 991 OG1 THR A 724 -8.716 2.051 9.904 1.00 35.12 O ATOM 992 CG2 THR A 724 -11.032 1.655 10.476 1.00 24.34 C ATOM 0 H THR A 724 -8.866 1.822 6.968 1.00 44.20 H new ATOM 0 HA THR A 724 -9.838 -0.217 8.851 1.00 63.13 H new ATOM 0 HB THR A 724 -10.322 2.794 8.809 1.00 33.51 H new ATOM 0 HG1 THR A 724 -8.585 1.398 10.623 1.00 35.12 H new ATOM 0 HG21 THR A 724 -11.003 2.496 11.169 1.00 24.34 H new ATOM 0 HG22 THR A 724 -12.035 1.562 10.060 1.00 24.34 H new ATOM 0 HG23 THR A 724 -10.773 0.739 11.007 1.00 24.34 H new ATOM 1000 N ASP A 725 -12.302 -0.160 8.249 1.00 2.32 N ATOM 1001 CA ASP A 725 -13.673 -0.347 7.756 1.00 52.23 C ATOM 1002 C ASP A 725 -14.682 0.422 8.623 1.00 22.43 C ATOM 1003 O ASP A 725 -14.482 0.594 9.827 1.00 33.15 O ATOM 1004 CB ASP A 725 -13.996 -1.851 7.739 1.00 1.51 C ATOM 1005 CG ASP A 725 -15.469 -2.183 7.573 1.00 2.22 C ATOM 1006 OD1 ASP A 725 -16.137 -1.609 6.698 1.00 21.41 O ATOM 1007 OD2 ASP A 725 -15.966 -3.062 8.298 1.00 53.00 O ATOM 0 H ASP A 725 -12.090 -0.706 9.084 1.00 2.32 H new ATOM 0 HA ASP A 725 -13.749 0.051 6.744 1.00 52.23 H new ATOM 0 HB2 ASP A 725 -13.439 -2.319 6.928 1.00 1.51 H new ATOM 0 HB3 ASP A 725 -13.640 -2.296 8.668 1.00 1.51 H new ATOM 1012 N SER A 726 -15.788 0.841 8.011 1.00 45.41 N ATOM 1013 CA SER A 726 -16.789 1.677 8.688 1.00 60.42 C ATOM 1014 C SER A 726 -17.494 0.938 9.835 1.00 2.11 C ATOM 1015 O SER A 726 -18.163 1.564 10.660 1.00 71.33 O ATOM 1016 CB SER A 726 -17.834 2.175 7.681 1.00 51.32 C ATOM 1017 OG SER A 726 -18.466 1.091 7.012 1.00 15.21 O ATOM 0 H SER A 726 -16.018 0.616 7.043 1.00 45.41 H new ATOM 0 HA SER A 726 -16.254 2.523 9.120 1.00 60.42 H new ATOM 0 HB2 SER A 726 -18.584 2.773 8.198 1.00 51.32 H new ATOM 0 HB3 SER A 726 -17.356 2.827 6.950 1.00 51.32 H new ATOM 0 HG SER A 726 -18.691 1.358 6.096 1.00 15.21 H new ATOM 1023 N LYS A 727 -17.360 -0.388 9.888 1.00 42.22 N ATOM 1024 CA LYS A 727 -18.007 -1.180 10.946 1.00 53.43 C ATOM 1025 C LYS A 727 -17.006 -1.669 12.013 1.00 61.14 C ATOM 1026 O LYS A 727 -17.403 -2.315 12.985 1.00 63.01 O ATOM 1027 CB LYS A 727 -18.734 -2.384 10.346 1.00 23.23 C ATOM 1028 CG LYS A 727 -19.592 -2.067 9.128 1.00 20.41 C ATOM 1029 CD LYS A 727 -20.676 -1.035 9.419 1.00 23.35 C ATOM 1030 CE LYS A 727 -21.526 -0.770 8.181 1.00 23.04 C ATOM 1031 NZ LYS A 727 -20.694 -0.352 7.020 1.00 55.11 N ATOM 0 H LYS A 727 -16.816 -0.935 9.221 1.00 42.22 H new ATOM 0 HA LYS A 727 -18.722 -0.519 11.436 1.00 53.43 H new ATOM 0 HB2 LYS A 727 -17.995 -3.136 10.067 1.00 23.23 H new ATOM 0 HB3 LYS A 727 -19.367 -2.829 11.114 1.00 23.23 H new ATOM 0 HG2 LYS A 727 -18.953 -1.699 8.325 1.00 20.41 H new ATOM 0 HG3 LYS A 727 -20.058 -2.985 8.769 1.00 20.41 H new ATOM 0 HD2 LYS A 727 -21.311 -1.389 10.231 1.00 23.35 H new ATOM 0 HD3 LYS A 727 -20.217 -0.105 9.755 1.00 23.35 H new ATOM 0 HE2 LYS A 727 -22.084 -1.670 7.923 1.00 23.04 H new ATOM 0 HE3 LYS A 727 -22.258 0.006 8.402 1.00 23.04 H new ATOM 0 HZ1 LYS A 727 -21.292 0.136 6.322 1.00 55.11 H new ATOM 0 HZ2 LYS A 727 -19.944 0.292 7.344 1.00 55.11 H new ATOM 0 HZ3 LYS A 727 -20.264 -1.191 6.581 1.00 55.11 H new ATOM 1045 N GLY A 728 -15.714 -1.378 11.829 1.00 23.44 N ATOM 1046 CA GLY A 728 -14.716 -1.739 12.843 1.00 10.42 C ATOM 1047 C GLY A 728 -13.717 -2.827 12.425 1.00 4.32 C ATOM 1048 O GLY A 728 -13.004 -3.368 13.275 1.00 71.01 O ATOM 0 H GLY A 728 -15.340 -0.904 11.007 1.00 23.44 H new ATOM 0 HA2 GLY A 728 -14.159 -0.843 13.115 1.00 10.42 H new ATOM 0 HA3 GLY A 728 -15.238 -2.074 13.739 1.00 10.42 H new ATOM 1052 N HIS A 729 -13.658 -3.172 11.138 1.00 4.30 N ATOM 1053 CA HIS A 729 -12.629 -4.107 10.638 1.00 74.04 C ATOM 1054 C HIS A 729 -11.402 -3.351 10.104 1.00 24.54 C ATOM 1055 O HIS A 729 -11.538 -2.394 9.354 1.00 31.14 O ATOM 1056 CB HIS A 729 -13.194 -5.012 9.532 1.00 12.43 C ATOM 1057 CG HIS A 729 -13.980 -6.189 10.030 1.00 60.14 C ATOM 1058 ND1 HIS A 729 -15.322 -6.357 9.783 1.00 14.01 N ATOM 1059 CD2 HIS A 729 -13.592 -7.288 10.723 1.00 15.35 C ATOM 1060 CE1 HIS A 729 -15.726 -7.502 10.294 1.00 31.10 C ATOM 1061 NE2 HIS A 729 -14.699 -8.081 10.870 1.00 41.44 N ATOM 0 H HIS A 729 -14.299 -2.827 10.424 1.00 4.30 H new ATOM 0 HA HIS A 729 -12.322 -4.726 11.481 1.00 74.04 H new ATOM 0 HB2 HIS A 729 -13.833 -4.414 8.882 1.00 12.43 H new ATOM 0 HB3 HIS A 729 -12.368 -5.376 8.921 1.00 12.43 H new ATOM 0 HD1 HIS A 729 -15.914 -5.696 9.281 1.00 14.01 H new ATOM 0 HD2 HIS A 729 -12.598 -7.498 11.090 1.00 15.35 H new ATOM 0 HE1 HIS A 729 -16.730 -7.896 10.247 1.00 31.10 H new ATOM 1070 N GLU A 730 -10.207 -3.784 10.484 1.00 12.13 N ATOM 1071 CA GLU A 730 -8.976 -3.136 10.021 1.00 24.04 C ATOM 1072 C GLU A 730 -7.938 -4.173 9.565 1.00 33.10 C ATOM 1073 O GLU A 730 -7.410 -4.939 10.375 1.00 4.42 O ATOM 1074 CB GLU A 730 -8.402 -2.247 11.132 1.00 45.11 C ATOM 1075 CG GLU A 730 -7.256 -1.354 10.676 1.00 21.54 C ATOM 1076 CD GLU A 730 -6.773 -0.416 11.771 1.00 72.34 C ATOM 1077 OE1 GLU A 730 -7.450 0.603 12.027 1.00 11.33 O ATOM 1078 OE2 GLU A 730 -5.720 -0.695 12.383 1.00 3.32 O ATOM 0 H GLU A 730 -10.059 -4.577 11.108 1.00 12.13 H new ATOM 0 HA GLU A 730 -9.219 -2.513 9.160 1.00 24.04 H new ATOM 0 HB2 GLU A 730 -9.200 -1.622 11.532 1.00 45.11 H new ATOM 0 HB3 GLU A 730 -8.054 -2.881 11.948 1.00 45.11 H new ATOM 0 HG2 GLU A 730 -6.425 -1.977 10.344 1.00 21.54 H new ATOM 0 HG3 GLU A 730 -7.578 -0.767 9.816 1.00 21.54 H new ATOM 1085 N VAL A 731 -7.650 -4.197 8.265 1.00 54.10 N ATOM 1086 CA VAL A 731 -6.721 -5.184 7.688 1.00 14.24 C ATOM 1087 C VAL A 731 -5.429 -4.530 7.176 1.00 33.05 C ATOM 1088 O VAL A 731 -5.389 -3.324 6.919 1.00 14.41 O ATOM 1089 CB VAL A 731 -7.383 -5.975 6.532 1.00 73.42 C ATOM 1090 CG1 VAL A 731 -8.576 -6.780 7.042 1.00 44.43 C ATOM 1091 CG2 VAL A 731 -7.807 -5.040 5.400 1.00 10.51 C ATOM 0 H VAL A 731 -8.044 -3.546 7.586 1.00 54.10 H new ATOM 0 HA VAL A 731 -6.467 -5.871 8.495 1.00 14.24 H new ATOM 0 HB VAL A 731 -6.644 -6.671 6.135 1.00 73.42 H new ATOM 0 HG11 VAL A 731 -9.026 -7.328 6.214 1.00 44.43 H new ATOM 0 HG12 VAL A 731 -8.241 -7.484 7.804 1.00 44.43 H new ATOM 0 HG13 VAL A 731 -9.314 -6.103 7.473 1.00 44.43 H new ATOM 0 HG21 VAL A 731 -8.269 -5.621 4.602 1.00 10.51 H new ATOM 0 HG22 VAL A 731 -8.523 -4.311 5.779 1.00 10.51 H new ATOM 0 HG23 VAL A 731 -6.932 -4.520 5.011 1.00 10.51 H new ATOM 1101 N THR A 732 -4.378 -5.335 7.013 1.00 75.32 N ATOM 1102 CA THR A 732 -3.063 -4.818 6.598 1.00 54.30 C ATOM 1103 C THR A 732 -2.398 -5.693 5.523 1.00 40.01 C ATOM 1104 O THR A 732 -2.615 -6.905 5.462 1.00 52.04 O ATOM 1105 CB THR A 732 -2.098 -4.692 7.806 1.00 62.23 C ATOM 1106 OG1 THR A 732 -0.826 -4.176 7.375 1.00 60.23 O ATOM 1107 CG2 THR A 732 -1.898 -6.039 8.497 1.00 54.22 C ATOM 0 H THR A 732 -4.406 -6.344 7.160 1.00 75.32 H new ATOM 0 HA THR A 732 -3.253 -3.832 6.174 1.00 54.30 H new ATOM 0 HB THR A 732 -2.547 -4.002 8.520 1.00 62.23 H new ATOM 0 HG1 THR A 732 -0.966 -3.493 6.686 1.00 60.23 H new ATOM 0 HG21 THR A 732 -1.217 -5.918 9.339 1.00 54.22 H new ATOM 0 HG22 THR A 732 -2.858 -6.409 8.857 1.00 54.22 H new ATOM 0 HG23 THR A 732 -1.476 -6.752 7.789 1.00 54.22 H new ATOM 1115 N ALA A 733 -1.588 -5.059 4.678 1.00 53.43 N ATOM 1116 CA ALA A 733 -0.823 -5.752 3.632 1.00 3.01 C ATOM 1117 C ALA A 733 0.512 -5.033 3.381 1.00 65.45 C ATOM 1118 O ALA A 733 0.669 -3.869 3.750 1.00 52.44 O ATOM 1119 CB ALA A 733 -1.636 -5.838 2.345 1.00 25.42 C ATOM 0 H ALA A 733 -1.440 -4.050 4.695 1.00 53.43 H new ATOM 0 HA ALA A 733 -0.610 -6.766 3.971 1.00 3.01 H new ATOM 0 HB1 ALA A 733 -1.054 -6.354 1.581 1.00 25.42 H new ATOM 0 HB2 ALA A 733 -2.558 -6.389 2.533 1.00 25.42 H new ATOM 0 HB3 ALA A 733 -1.878 -4.833 2.000 1.00 25.42 H new ATOM 1125 N LYS A 734 1.471 -5.715 2.757 1.00 63.44 N ATOM 1126 CA LYS A 734 2.810 -5.136 2.547 1.00 51.14 C ATOM 1127 C LYS A 734 3.290 -5.236 1.090 1.00 1.40 C ATOM 1128 O LYS A 734 2.820 -6.070 0.311 1.00 63.15 O ATOM 1129 CB LYS A 734 3.833 -5.801 3.483 1.00 62.53 C ATOM 1130 CG LYS A 734 3.746 -5.323 4.930 1.00 44.42 C ATOM 1131 CD LYS A 734 4.789 -6.000 5.818 1.00 30.05 C ATOM 1132 CE LYS A 734 4.465 -7.470 6.061 1.00 51.21 C ATOM 1133 NZ LYS A 734 3.313 -7.639 6.984 1.00 45.13 N ATOM 0 H LYS A 734 1.355 -6.659 2.389 1.00 63.44 H new ATOM 0 HA LYS A 734 2.728 -4.075 2.781 1.00 51.14 H new ATOM 0 HB2 LYS A 734 3.687 -6.881 3.457 1.00 62.53 H new ATOM 0 HB3 LYS A 734 4.837 -5.606 3.106 1.00 62.53 H new ATOM 0 HG2 LYS A 734 3.886 -4.243 4.964 1.00 44.42 H new ATOM 0 HG3 LYS A 734 2.749 -5.528 5.320 1.00 44.42 H new ATOM 0 HD2 LYS A 734 5.771 -5.917 5.352 1.00 30.05 H new ATOM 0 HD3 LYS A 734 4.845 -5.478 6.773 1.00 30.05 H new ATOM 0 HE2 LYS A 734 4.242 -7.954 5.110 1.00 51.21 H new ATOM 0 HE3 LYS A 734 5.340 -7.970 6.477 1.00 51.21 H new ATOM 0 HZ1 LYS A 734 3.199 -8.646 7.217 1.00 45.13 H new ATOM 0 HZ2 LYS A 734 3.485 -7.099 7.856 1.00 45.13 H new ATOM 0 HZ3 LYS A 734 2.447 -7.290 6.526 1.00 45.13 H new ATOM 1147 N GLN A 735 4.243 -4.368 0.751 1.00 52.22 N ATOM 1148 CA GLN A 735 4.846 -4.313 -0.586 1.00 41.44 C ATOM 1149 C GLN A 735 6.379 -4.297 -0.490 1.00 40.34 C ATOM 1150 O GLN A 735 6.956 -3.491 0.246 1.00 65.13 O ATOM 1151 CB GLN A 735 4.365 -3.053 -1.325 1.00 23.24 C ATOM 1152 CG GLN A 735 5.131 -2.758 -2.611 1.00 71.03 C ATOM 1153 CD GLN A 735 4.655 -1.499 -3.319 1.00 73.24 C ATOM 1154 OE1 GLN A 735 4.174 -0.525 -2.567 1.00 42.14 O flip ATOM 1155 NE2 GLN A 735 4.729 -1.396 -4.537 1.00 45.24 N flip ATOM 0 H GLN A 735 4.623 -3.678 1.399 1.00 52.22 H new ATOM 0 HA GLN A 735 4.538 -5.201 -1.138 1.00 41.44 H new ATOM 0 HB2 GLN A 735 3.307 -3.165 -1.562 1.00 23.24 H new ATOM 0 HB3 GLN A 735 4.453 -2.196 -0.657 1.00 23.24 H new ATOM 0 HG2 GLN A 735 6.191 -2.657 -2.379 1.00 71.03 H new ATOM 0 HG3 GLN A 735 5.032 -3.607 -3.288 1.00 71.03 H new ATOM 0 HE21 GLN A 735 5.105 -2.165 -5.092 1.00 45.24 H new ATOM 0 HE22 GLN A 735 4.415 -0.541 -4.997 1.00 45.24 H new ATOM 1164 N THR A 736 7.039 -5.186 -1.229 1.00 52.33 N ATOM 1165 CA THR A 736 8.506 -5.233 -1.247 1.00 74.21 C ATOM 1166 C THR A 736 9.072 -4.449 -2.439 1.00 65.12 C ATOM 1167 O THR A 736 9.016 -4.907 -3.581 1.00 42.22 O ATOM 1168 CB THR A 736 9.029 -6.691 -1.305 1.00 4.12 C ATOM 1169 OG1 THR A 736 8.542 -7.440 -0.180 1.00 54.12 O ATOM 1170 CG2 THR A 736 10.555 -6.733 -1.317 1.00 4.23 C ATOM 0 H THR A 736 6.587 -5.882 -1.822 1.00 52.33 H new ATOM 0 HA THR A 736 8.845 -4.773 -0.319 1.00 74.21 H new ATOM 0 HB THR A 736 8.661 -7.137 -2.229 1.00 4.12 H new ATOM 0 HG1 THR A 736 8.878 -8.359 -0.229 1.00 54.12 H new ATOM 0 HG21 THR A 736 10.890 -7.769 -1.358 1.00 4.23 H new ATOM 0 HG22 THR A 736 10.927 -6.197 -2.190 1.00 4.23 H new ATOM 0 HG23 THR A 736 10.939 -6.263 -0.412 1.00 4.23 H new ATOM 1178 N VAL A 737 9.606 -3.258 -2.175 1.00 32.53 N ATOM 1179 CA VAL A 737 10.187 -2.419 -3.230 1.00 43.53 C ATOM 1180 C VAL A 737 11.715 -2.580 -3.291 1.00 62.32 C ATOM 1181 O VAL A 737 12.378 -2.685 -2.263 1.00 4.21 O ATOM 1182 CB VAL A 737 9.837 -0.924 -3.017 1.00 12.01 C ATOM 1183 CG1 VAL A 737 10.376 -0.067 -4.162 1.00 52.41 C ATOM 1184 CG2 VAL A 737 8.326 -0.740 -2.859 1.00 35.25 C ATOM 0 H VAL A 737 9.650 -2.849 -1.241 1.00 32.53 H new ATOM 0 HA VAL A 737 9.757 -2.752 -4.174 1.00 43.53 H new ATOM 0 HB VAL A 737 10.317 -0.591 -2.097 1.00 12.01 H new ATOM 0 HG11 VAL A 737 10.117 0.977 -3.988 1.00 52.41 H new ATOM 0 HG12 VAL A 737 11.460 -0.168 -4.213 1.00 52.41 H new ATOM 0 HG13 VAL A 737 9.936 -0.398 -5.103 1.00 52.41 H new ATOM 0 HG21 VAL A 737 8.102 0.316 -2.711 1.00 35.25 H new ATOM 0 HG22 VAL A 737 7.820 -1.096 -3.757 1.00 35.25 H new ATOM 0 HG23 VAL A 737 7.978 -1.309 -1.997 1.00 35.25 H new ATOM 1194 N THR A 738 12.270 -2.603 -4.499 1.00 11.03 N ATOM 1195 CA THR A 738 13.721 -2.741 -4.686 1.00 55.11 C ATOM 1196 C THR A 738 14.261 -1.667 -5.641 1.00 22.53 C ATOM 1197 O THR A 738 13.831 -1.572 -6.788 1.00 23.01 O ATOM 1198 CB THR A 738 14.089 -4.143 -5.237 1.00 54.53 C ATOM 1199 OG1 THR A 738 13.584 -5.167 -4.361 1.00 4.33 O ATOM 1200 CG2 THR A 738 15.601 -4.301 -5.387 1.00 23.21 C ATOM 0 H THR A 738 11.741 -2.528 -5.368 1.00 11.03 H new ATOM 0 HA THR A 738 14.180 -2.613 -3.706 1.00 55.11 H new ATOM 0 HB THR A 738 13.632 -4.244 -6.222 1.00 54.53 H new ATOM 0 HG1 THR A 738 14.176 -5.255 -3.585 1.00 4.33 H new ATOM 0 HG21 THR A 738 15.826 -5.294 -5.775 1.00 23.21 H new ATOM 0 HG22 THR A 738 15.979 -3.547 -6.078 1.00 23.21 H new ATOM 0 HG23 THR A 738 16.078 -4.174 -4.415 1.00 23.21 H new ATOM 1208 N VAL A 739 15.195 -0.852 -5.156 1.00 14.04 N ATOM 1209 CA VAL A 739 15.798 0.215 -5.966 1.00 51.31 C ATOM 1210 C VAL A 739 17.168 -0.210 -6.522 1.00 30.31 C ATOM 1211 O VAL A 739 18.011 -0.731 -5.790 1.00 70.32 O ATOM 1212 CB VAL A 739 15.963 1.519 -5.144 1.00 73.41 C ATOM 1213 CG1 VAL A 739 16.489 2.656 -6.018 1.00 11.21 C ATOM 1214 CG2 VAL A 739 14.643 1.907 -4.482 1.00 53.10 C ATOM 0 H VAL A 739 15.555 -0.907 -4.203 1.00 14.04 H new ATOM 0 HA VAL A 739 15.120 0.402 -6.799 1.00 51.31 H new ATOM 0 HB VAL A 739 16.698 1.335 -4.360 1.00 73.41 H new ATOM 0 HG11 VAL A 739 16.595 3.558 -5.416 1.00 11.21 H new ATOM 0 HG12 VAL A 739 17.459 2.379 -6.431 1.00 11.21 H new ATOM 0 HG13 VAL A 739 15.789 2.843 -6.832 1.00 11.21 H new ATOM 0 HG21 VAL A 739 14.779 2.825 -3.910 1.00 53.10 H new ATOM 0 HG22 VAL A 739 13.885 2.066 -5.248 1.00 53.10 H new ATOM 0 HG23 VAL A 739 14.322 1.107 -3.815 1.00 53.10 H new ATOM 1224 N LYS A 740 17.382 0.028 -7.816 1.00 42.23 N ATOM 1225 CA LYS A 740 18.634 -0.339 -8.492 1.00 51.15 C ATOM 1226 C LYS A 740 19.316 0.888 -9.126 1.00 55.24 C ATOM 1227 O LYS A 740 18.651 1.854 -9.507 1.00 31.11 O ATOM 1228 CB LYS A 740 18.351 -1.396 -9.569 1.00 75.15 C ATOM 1229 CG LYS A 740 17.821 -2.717 -9.016 1.00 63.14 C ATOM 1230 CD LYS A 740 17.485 -3.710 -10.125 1.00 43.33 C ATOM 1231 CE LYS A 740 18.690 -4.012 -11.014 1.00 22.42 C ATOM 1232 NZ LYS A 740 18.353 -4.973 -12.098 1.00 50.22 N ATOM 0 H LYS A 740 16.699 0.478 -8.425 1.00 42.23 H new ATOM 0 HA LYS A 740 19.313 -0.749 -7.745 1.00 51.15 H new ATOM 0 HB2 LYS A 740 17.627 -0.994 -10.278 1.00 75.15 H new ATOM 0 HB3 LYS A 740 19.268 -1.588 -10.125 1.00 75.15 H new ATOM 0 HG2 LYS A 740 18.565 -3.155 -8.351 1.00 63.14 H new ATOM 0 HG3 LYS A 740 16.930 -2.528 -8.417 1.00 63.14 H new ATOM 0 HD2 LYS A 740 17.121 -4.637 -9.682 1.00 43.33 H new ATOM 0 HD3 LYS A 740 16.676 -3.310 -10.736 1.00 43.33 H new ATOM 0 HE2 LYS A 740 19.059 -3.085 -11.453 1.00 22.42 H new ATOM 0 HE3 LYS A 740 19.497 -4.420 -10.405 1.00 22.42 H new ATOM 0 HZ1 LYS A 740 19.197 -5.151 -12.679 1.00 50.22 H new ATOM 0 HZ2 LYS A 740 18.025 -5.867 -11.680 1.00 50.22 H new ATOM 0 HZ3 LYS A 740 17.601 -4.573 -12.695 1.00 50.22 H new ATOM 1246 N VAL A 741 20.644 0.843 -9.245 1.00 61.44 N ATOM 1247 CA VAL A 741 21.406 1.958 -9.825 1.00 12.43 C ATOM 1248 C VAL A 741 21.786 1.684 -11.286 1.00 53.21 C ATOM 1249 O VAL A 741 22.482 0.711 -11.585 1.00 2.32 O ATOM 1250 CB VAL A 741 22.707 2.238 -9.025 1.00 5.20 C ATOM 1251 CG1 VAL A 741 23.406 3.498 -9.530 1.00 30.11 C ATOM 1252 CG2 VAL A 741 22.417 2.353 -7.536 1.00 33.13 C ATOM 0 H VAL A 741 21.215 0.051 -8.950 1.00 61.44 H new ATOM 0 HA VAL A 741 20.753 2.829 -9.776 1.00 12.43 H new ATOM 0 HB VAL A 741 23.377 1.392 -9.181 1.00 5.20 H new ATOM 0 HG11 VAL A 741 24.313 3.668 -8.950 1.00 30.11 H new ATOM 0 HG12 VAL A 741 23.665 3.374 -10.582 1.00 30.11 H new ATOM 0 HG13 VAL A 741 22.739 4.353 -9.419 1.00 30.11 H new ATOM 0 HG21 VAL A 741 23.345 2.549 -6.999 1.00 33.13 H new ATOM 0 HG22 VAL A 741 21.718 3.171 -7.364 1.00 33.13 H new ATOM 0 HG23 VAL A 741 21.980 1.421 -7.177 1.00 33.13 H new