USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.0645 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= -0.128 (180deg=-1.05) USER MOD Single : A 10 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= -0.249 (180deg=-1.18!) USER MOD Single : A 23 ASN : amide:sc= -11.7! C(o=-12!,f=-23!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 74:sc= 0.385 USER MOD Single : A 29 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.021) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00521) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00537) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -31.589 6.843 0.213 1.00 0.00 N ATOM 2 CA ALA A 1 -31.791 6.706 -1.252 1.00 0.00 C ATOM 3 C ALA A 1 -31.210 5.392 -1.763 1.00 0.00 C ATOM 4 O ALA A 1 -30.325 4.809 -1.136 1.00 0.00 O ATOM 5 CB ALA A 1 -31.162 7.881 -1.985 1.00 0.00 C ATOM 0 H1 ALA A 1 -32.481 6.640 0.707 1.00 0.00 H new ATOM 0 H2 ALA A 1 -30.859 6.172 0.527 1.00 0.00 H new ATOM 0 H3 ALA A 1 -31.285 7.813 0.432 1.00 0.00 H new ATOM 0 HA ALA A 1 -32.863 6.702 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -31.318 7.766 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -31.624 8.809 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -30.093 7.911 -1.775 1.00 0.00 H new ATOM 13 N LYS A 2 -31.718 4.927 -2.900 1.00 0.00 N ATOM 14 CA LYS A 2 -31.254 3.679 -3.491 1.00 0.00 C ATOM 15 C LYS A 2 -29.749 3.704 -3.730 1.00 0.00 C ATOM 16 O LYS A 2 -29.290 3.968 -4.841 1.00 0.00 O ATOM 17 CB LYS A 2 -31.983 3.411 -4.807 1.00 0.00 C ATOM 18 CG LYS A 2 -31.669 2.050 -5.403 1.00 0.00 C ATOM 19 CD LYS A 2 -32.116 0.927 -4.483 1.00 0.00 C ATOM 20 CE LYS A 2 -31.213 -0.290 -4.608 1.00 0.00 C ATOM 21 NZ LYS A 2 -31.994 -1.551 -4.736 1.00 0.00 N ATOM 0 H LYS A 2 -32.452 5.397 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 2 -31.475 2.877 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -33.058 3.488 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -31.716 4.185 -5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -32.165 1.951 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -30.597 1.969 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -32.114 1.278 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -33.142 0.646 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -30.566 -0.174 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -30.564 -0.352 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -31.341 -2.357 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -32.593 -1.675 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -32.594 -1.503 -5.584 1.00 0.00 H new ATOM 35 N ILE A 3 -28.986 3.421 -2.681 1.00 0.00 N ATOM 36 CA ILE A 3 -27.536 3.403 -2.774 1.00 0.00 C ATOM 37 C ILE A 3 -26.903 2.901 -1.482 1.00 0.00 C ATOM 38 O ILE A 3 -26.114 3.607 -0.857 1.00 0.00 O ATOM 39 CB ILE A 3 -26.981 4.800 -3.086 1.00 0.00 C ATOM 40 CG1 ILE A 3 -25.454 4.779 -3.054 1.00 0.00 C ATOM 41 CG2 ILE A 3 -27.524 5.817 -2.094 1.00 0.00 C ATOM 42 CD1 ILE A 3 -24.809 5.661 -4.101 1.00 0.00 C ATOM 0 H ILE A 3 -29.351 3.201 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 3 -27.282 2.723 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 3 -27.302 5.091 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -25.116 5.096 -2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -25.111 3.754 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -27.122 6.803 -2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -28.612 5.844 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -27.228 5.534 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -23.724 5.593 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -25.116 5.332 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -25.121 6.694 -3.949 1.00 0.00 H new ATOM 54 N PRO A 4 -27.242 1.671 -1.064 1.00 0.00 N ATOM 55 CA PRO A 4 -26.715 1.069 0.149 1.00 0.00 C ATOM 56 C PRO A 4 -25.476 0.220 -0.117 1.00 0.00 C ATOM 57 O PRO A 4 -24.366 0.584 0.267 1.00 0.00 O ATOM 58 CB PRO A 4 -27.878 0.198 0.614 1.00 0.00 C ATOM 59 CG PRO A 4 -28.634 -0.164 -0.631 1.00 0.00 C ATOM 60 CD PRO A 4 -28.177 0.764 -1.737 1.00 0.00 C ATOM 0 HA PRO A 4 -26.390 1.809 0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -27.519 -0.694 1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -28.514 0.736 1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -28.447 -1.203 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -29.707 -0.065 -0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -27.692 0.216 -2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -29.014 1.306 -2.177 1.00 0.00 H new ATOM 68 N ILE A 5 -25.674 -0.913 -0.781 1.00 0.00 N ATOM 69 CA ILE A 5 -24.572 -1.810 -1.102 1.00 0.00 C ATOM 70 C ILE A 5 -23.446 -1.047 -1.783 1.00 0.00 C ATOM 71 O ILE A 5 -22.282 -1.161 -1.400 1.00 0.00 O ATOM 72 CB ILE A 5 -25.034 -2.968 -2.012 1.00 0.00 C ATOM 73 CG1 ILE A 5 -24.075 -4.156 -1.892 1.00 0.00 C ATOM 74 CG2 ILE A 5 -25.143 -2.504 -3.459 1.00 0.00 C ATOM 75 CD1 ILE A 5 -22.923 -4.110 -2.873 1.00 0.00 C ATOM 0 H ILE A 5 -26.587 -1.231 -1.107 1.00 0.00 H new ATOM 0 HA ILE A 5 -24.210 -2.231 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 5 -26.023 -3.291 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -23.676 -4.188 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -24.634 -5.079 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.470 -3.335 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -25.867 -1.692 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.170 -2.153 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -22.287 -4.983 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.312 -4.109 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.339 -3.204 -2.707 1.00 0.00 H new ATOM 87 N LYS A 6 -23.807 -0.259 -2.786 1.00 0.00 N ATOM 88 CA LYS A 6 -22.834 0.539 -3.514 1.00 0.00 C ATOM 89 C LYS A 6 -22.284 1.640 -2.616 1.00 0.00 C ATOM 90 O LYS A 6 -21.217 2.197 -2.876 1.00 0.00 O ATOM 91 CB LYS A 6 -23.471 1.151 -4.764 1.00 0.00 C ATOM 92 CG LYS A 6 -24.316 0.169 -5.560 1.00 0.00 C ATOM 93 CD LYS A 6 -23.488 -0.555 -6.611 1.00 0.00 C ATOM 94 CE LYS A 6 -24.203 -0.590 -7.953 1.00 0.00 C ATOM 95 NZ LYS A 6 -23.515 0.249 -8.973 1.00 0.00 N ATOM 0 H LYS A 6 -24.768 -0.156 -3.113 1.00 0.00 H new ATOM 0 HA LYS A 6 -22.015 -0.110 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.093 1.996 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -22.684 1.545 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -24.764 -0.559 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -25.135 0.701 -6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.524 -0.058 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -23.285 -1.573 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -24.259 -1.619 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -25.228 -0.240 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -24.034 0.197 -9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -23.484 1.236 -8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.545 -0.100 -9.113 1.00 0.00 H new ATOM 109 N ALA A 7 -23.023 1.942 -1.552 1.00 0.00 N ATOM 110 CA ALA A 7 -22.617 2.969 -0.603 1.00 0.00 C ATOM 111 C ALA A 7 -21.510 2.457 0.305 1.00 0.00 C ATOM 112 O ALA A 7 -20.492 3.123 0.498 1.00 0.00 O ATOM 113 CB ALA A 7 -23.809 3.428 0.224 1.00 0.00 C ATOM 0 H ALA A 7 -23.908 1.488 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 7 -22.233 3.820 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -23.489 4.196 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -24.574 3.837 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -24.219 2.580 0.773 1.00 0.00 H new ATOM 119 N ILE A 8 -21.712 1.265 0.851 1.00 0.00 N ATOM 120 CA ILE A 8 -20.725 0.656 1.729 1.00 0.00 C ATOM 121 C ILE A 8 -19.504 0.232 0.928 1.00 0.00 C ATOM 122 O ILE A 8 -18.369 0.347 1.391 1.00 0.00 O ATOM 123 CB ILE A 8 -21.301 -0.567 2.468 1.00 0.00 C ATOM 124 CG1 ILE A 8 -20.191 -1.298 3.234 1.00 0.00 C ATOM 125 CG2 ILE A 8 -21.995 -1.500 1.485 1.00 0.00 C ATOM 126 CD1 ILE A 8 -19.626 -2.503 2.508 1.00 0.00 C ATOM 0 H ILE A 8 -22.549 0.702 0.701 1.00 0.00 H new ATOM 0 HA ILE A 8 -20.441 1.402 2.471 1.00 0.00 H new ATOM 0 HB ILE A 8 -22.042 -0.226 3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -19.381 -0.597 3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -20.582 -1.620 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -22.397 -2.360 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -22.808 -0.968 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -21.278 -1.841 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -18.847 -2.962 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -20.422 -3.226 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -19.202 -2.188 1.555 1.00 0.00 H new ATOM 138 N LYS A 9 -19.751 -0.247 -0.286 1.00 0.00 N ATOM 139 CA LYS A 9 -18.682 -0.678 -1.171 1.00 0.00 C ATOM 140 C LYS A 9 -17.857 0.517 -1.632 1.00 0.00 C ATOM 141 O LYS A 9 -16.642 0.418 -1.792 1.00 0.00 O ATOM 142 CB LYS A 9 -19.260 -1.413 -2.381 1.00 0.00 C ATOM 143 CG LYS A 9 -19.640 -2.854 -2.088 1.00 0.00 C ATOM 144 CD LYS A 9 -18.441 -3.657 -1.617 1.00 0.00 C ATOM 145 CE LYS A 9 -18.762 -4.457 -0.367 1.00 0.00 C ATOM 146 NZ LYS A 9 -20.076 -5.148 -0.472 1.00 0.00 N ATOM 0 H LYS A 9 -20.687 -0.346 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.033 -1.359 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -20.141 -0.878 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.530 -1.395 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.419 -2.879 -1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -20.057 -3.312 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.120 -4.333 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.608 -2.984 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.977 -5.194 -0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.769 -3.793 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.037 -6.049 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.819 -4.546 -0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.292 -5.332 -1.472 1.00 0.00 H new ATOM 160 N THR A 10 -18.524 1.650 -1.837 1.00 0.00 N ATOM 161 CA THR A 10 -17.842 2.863 -2.270 1.00 0.00 C ATOM 162 C THR A 10 -16.882 3.344 -1.192 1.00 0.00 C ATOM 163 O THR A 10 -15.731 3.681 -1.473 1.00 0.00 O ATOM 164 CB THR A 10 -18.856 3.958 -2.603 1.00 0.00 C ATOM 165 OG1 THR A 10 -19.432 3.738 -3.879 1.00 0.00 O ATOM 166 CG2 THR A 10 -18.258 5.348 -2.605 1.00 0.00 C ATOM 0 H THR A 10 -19.531 1.752 -1.711 1.00 0.00 H new ATOM 0 HA THR A 10 -17.271 2.635 -3.170 1.00 0.00 H new ATOM 0 HB THR A 10 -19.607 3.904 -1.815 1.00 0.00 H new ATOM 0 HG1 THR A 10 -20.057 2.985 -3.830 1.00 0.00 H new ATOM 0 HG21 THR A 10 -19.031 6.076 -2.849 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.849 5.569 -1.619 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.463 5.401 -3.348 1.00 0.00 H new ATOM 174 N VAL A 11 -17.356 3.356 0.048 1.00 0.00 N ATOM 175 CA VAL A 11 -16.531 3.776 1.170 1.00 0.00 C ATOM 176 C VAL A 11 -15.462 2.731 1.448 1.00 0.00 C ATOM 177 O VAL A 11 -14.321 3.061 1.769 1.00 0.00 O ATOM 178 CB VAL A 11 -17.372 4.005 2.440 1.00 0.00 C ATOM 179 CG1 VAL A 11 -16.483 4.064 3.675 1.00 0.00 C ATOM 180 CG2 VAL A 11 -18.190 5.278 2.304 1.00 0.00 C ATOM 0 H VAL A 11 -18.305 3.080 0.300 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.062 4.722 0.900 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.055 3.164 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -17.099 4.226 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.941 3.124 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.772 4.884 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -18.780 5.429 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.521 6.127 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.856 5.192 1.446 1.00 0.00 H new ATOM 190 N GLY A 12 -15.839 1.466 1.300 1.00 0.00 N ATOM 191 CA GLY A 12 -14.898 0.388 1.516 1.00 0.00 C ATOM 192 C GLY A 12 -13.761 0.449 0.521 1.00 0.00 C ATOM 193 O GLY A 12 -12.637 0.045 0.818 1.00 0.00 O ATOM 0 H GLY A 12 -16.778 1.170 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.501 0.445 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.411 -0.570 1.428 1.00 0.00 H new ATOM 197 N LYS A 13 -14.059 0.971 -0.665 1.00 0.00 N ATOM 198 CA LYS A 13 -13.064 1.105 -1.715 1.00 0.00 C ATOM 199 C LYS A 13 -12.077 2.215 -1.377 1.00 0.00 C ATOM 200 O LYS A 13 -10.889 2.117 -1.681 1.00 0.00 O ATOM 201 CB LYS A 13 -13.746 1.401 -3.051 1.00 0.00 C ATOM 202 CG LYS A 13 -14.704 0.311 -3.495 1.00 0.00 C ATOM 203 CD LYS A 13 -14.121 -0.506 -4.634 1.00 0.00 C ATOM 204 CE LYS A 13 -14.265 0.212 -5.965 1.00 0.00 C ATOM 205 NZ LYS A 13 -13.842 -0.644 -7.108 1.00 0.00 N ATOM 0 H LYS A 13 -14.987 1.309 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.517 0.165 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.290 2.342 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.983 1.538 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.929 -0.344 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.646 0.759 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.067 -0.704 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.623 -1.472 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.303 0.515 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.666 1.123 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.956 -0.117 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.844 -0.913 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.430 -1.501 -7.136 1.00 0.00 H new ATOM 219 N ALA A 14 -12.576 3.269 -0.739 1.00 0.00 N ATOM 220 CA ALA A 14 -11.729 4.391 -0.356 1.00 0.00 C ATOM 221 C ALA A 14 -10.743 3.971 0.724 1.00 0.00 C ATOM 222 O ALA A 14 -9.530 4.084 0.550 1.00 0.00 O ATOM 223 CB ALA A 14 -12.576 5.563 0.116 1.00 0.00 C ATOM 0 H ALA A 14 -13.557 3.369 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.163 4.710 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.926 6.391 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.239 5.880 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.170 5.259 0.978 1.00 0.00 H new ATOM 229 N VAL A 15 -11.272 3.472 1.833 1.00 0.00 N ATOM 230 CA VAL A 15 -10.432 3.017 2.932 1.00 0.00 C ATOM 231 C VAL A 15 -9.551 1.861 2.477 1.00 0.00 C ATOM 232 O VAL A 15 -8.443 1.673 2.979 1.00 0.00 O ATOM 233 CB VAL A 15 -11.262 2.566 4.153 1.00 0.00 C ATOM 234 CG1 VAL A 15 -11.394 3.700 5.158 1.00 0.00 C ATOM 235 CG2 VAL A 15 -12.634 2.060 3.731 1.00 0.00 C ATOM 0 H VAL A 15 -12.274 3.372 1.995 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.817 3.865 3.233 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.734 1.740 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.982 3.363 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.403 4.003 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.891 4.548 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.194 1.750 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.174 2.857 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.517 1.211 3.058 1.00 0.00 H new ATOM 245 N GLY A 16 -10.053 1.092 1.515 1.00 0.00 N ATOM 246 CA GLY A 16 -9.300 -0.034 0.996 1.00 0.00 C ATOM 247 C GLY A 16 -8.086 0.405 0.202 1.00 0.00 C ATOM 248 O GLY A 16 -7.003 -0.160 0.351 1.00 0.00 O ATOM 0 H GLY A 16 -10.968 1.229 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.981 -0.668 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.947 -0.640 0.362 1.00 0.00 H new ATOM 252 N LYS A 17 -8.263 1.420 -0.639 1.00 0.00 N ATOM 253 CA LYS A 17 -7.167 1.934 -1.451 1.00 0.00 C ATOM 254 C LYS A 17 -6.296 2.881 -0.634 1.00 0.00 C ATOM 255 O LYS A 17 -5.103 3.032 -0.902 1.00 0.00 O ATOM 256 CB LYS A 17 -7.706 2.650 -2.693 1.00 0.00 C ATOM 257 CG LYS A 17 -8.780 1.866 -3.432 1.00 0.00 C ATOM 258 CD LYS A 17 -8.245 1.266 -4.723 1.00 0.00 C ATOM 259 CE LYS A 17 -9.306 1.248 -5.811 1.00 0.00 C ATOM 260 NZ LYS A 17 -10.672 1.043 -5.254 1.00 0.00 N ATOM 0 H LYS A 17 -9.152 1.901 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.557 1.090 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.113 3.617 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.879 2.848 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.158 1.071 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.621 2.522 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.384 1.841 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.897 0.250 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.276 2.188 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.082 0.454 -6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.289 0.639 -5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.623 0.391 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.059 1.956 -4.940 1.00 0.00 H new ATOM 274 N GLY A 18 -6.897 3.508 0.372 1.00 0.00 N ATOM 275 CA GLY A 18 -6.158 4.422 1.221 1.00 0.00 C ATOM 276 C GLY A 18 -5.223 3.688 2.157 1.00 0.00 C ATOM 277 O GLY A 18 -4.050 4.043 2.284 1.00 0.00 O ATOM 0 H GLY A 18 -7.882 3.399 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.584 5.111 0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.857 5.023 1.803 1.00 0.00 H new ATOM 281 N LEU A 19 -5.741 2.652 2.808 1.00 0.00 N ATOM 282 CA LEU A 19 -4.945 1.855 3.729 1.00 0.00 C ATOM 283 C LEU A 19 -3.845 1.125 2.975 1.00 0.00 C ATOM 284 O LEU A 19 -2.724 0.992 3.465 1.00 0.00 O ATOM 285 CB LEU A 19 -5.838 0.856 4.480 1.00 0.00 C ATOM 286 CG LEU A 19 -5.212 -0.514 4.768 1.00 0.00 C ATOM 287 CD1 LEU A 19 -4.271 -0.433 5.960 1.00 0.00 C ATOM 288 CD2 LEU A 19 -6.296 -1.554 5.013 1.00 0.00 C ATOM 0 H LEU A 19 -6.709 2.346 2.714 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.483 2.520 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.136 1.305 5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.748 0.704 3.900 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.634 -0.818 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.837 -1.415 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.475 0.281 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.826 -0.107 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.834 -2.520 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.901 -1.254 5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.930 -1.633 4.130 1.00 0.00 H new ATOM 300 N ARG A 20 -4.170 0.657 1.776 1.00 0.00 N ATOM 301 CA ARG A 20 -3.199 -0.052 0.961 1.00 0.00 C ATOM 302 C ARG A 20 -2.130 0.904 0.467 1.00 0.00 C ATOM 303 O ARG A 20 -0.941 0.597 0.518 1.00 0.00 O ATOM 304 CB ARG A 20 -3.885 -0.751 -0.217 1.00 0.00 C ATOM 305 CG ARG A 20 -4.100 -2.247 -0.009 1.00 0.00 C ATOM 306 CD ARG A 20 -4.101 -2.620 1.467 1.00 0.00 C ATOM 307 NE ARG A 20 -4.905 -3.810 1.734 1.00 0.00 N ATOM 308 CZ ARG A 20 -4.415 -5.047 1.760 1.00 0.00 C ATOM 309 NH1 ARG A 20 -3.128 -5.263 1.521 1.00 0.00 N ATOM 310 NH2 ARG A 20 -5.215 -6.071 2.024 1.00 0.00 N ATOM 0 H ARG A 20 -5.092 0.756 1.351 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.724 -0.816 1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.850 -0.277 -0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.285 -0.602 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.047 -2.544 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.315 -2.802 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.077 -2.794 1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.487 -1.784 2.051 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.902 -3.685 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.509 -4.479 1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.758 -6.213 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.206 -5.910 2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.840 -7.019 2.044 1.00 0.00 H new ATOM 324 N ALA A 21 -2.548 2.075 0.011 1.00 0.00 N ATOM 325 CA ALA A 21 -1.599 3.067 -0.459 1.00 0.00 C ATOM 326 C ALA A 21 -0.527 3.280 0.595 1.00 0.00 C ATOM 327 O ALA A 21 0.645 3.479 0.279 1.00 0.00 O ATOM 328 CB ALA A 21 -2.301 4.375 -0.791 1.00 0.00 C ATOM 0 H ALA A 21 -3.527 2.358 -0.043 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.130 2.705 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.569 5.102 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.042 4.202 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.796 4.759 0.101 1.00 0.00 H new ATOM 334 N ILE A 22 -0.930 3.205 1.858 1.00 0.00 N ATOM 335 CA ILE A 22 0.009 3.359 2.952 1.00 0.00 C ATOM 336 C ILE A 22 0.827 2.085 3.109 1.00 0.00 C ATOM 337 O ILE A 22 1.954 2.110 3.602 1.00 0.00 O ATOM 338 CB ILE A 22 -0.706 3.674 4.277 1.00 0.00 C ATOM 339 CG1 ILE A 22 -1.497 4.977 4.156 1.00 0.00 C ATOM 340 CG2 ILE A 22 0.305 3.762 5.409 1.00 0.00 C ATOM 341 CD1 ILE A 22 -2.098 5.445 5.463 1.00 0.00 C ATOM 0 H ILE A 22 -1.895 3.039 2.144 1.00 0.00 H new ATOM 0 HA ILE A 22 0.662 4.198 2.713 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.406 2.869 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.841 5.756 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.296 4.841 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.212 3.985 6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.829 2.811 5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.024 4.553 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.644 6.374 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.781 4.685 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.303 5.614 6.189 1.00 0.00 H new ATOM 353 N ASN A 23 0.246 0.971 2.671 1.00 0.00 N ATOM 354 CA ASN A 23 0.913 -0.321 2.744 1.00 0.00 C ATOM 355 C ASN A 23 1.989 -0.432 1.681 1.00 0.00 C ATOM 356 O ASN A 23 3.147 -0.704 1.979 1.00 0.00 O ATOM 357 CB ASN A 23 -0.105 -1.450 2.582 1.00 0.00 C ATOM 358 CG ASN A 23 -0.239 -1.961 1.156 1.00 0.00 C ATOM 359 OD1 ASN A 23 -1.238 -1.713 0.483 1.00 0.00 O ATOM 360 ND2 ASN A 23 0.775 -2.681 0.691 1.00 0.00 N ATOM 0 H ASN A 23 -0.688 0.940 2.261 1.00 0.00 H new ATOM 0 HA ASN A 23 1.386 -0.407 3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.181 -2.279 3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.079 -1.100 2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.744 -3.052 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.585 -2.863 1.283 1.00 0.00 H new ATOM 367 N ILE A 24 1.591 -0.210 0.439 1.00 0.00 N ATOM 368 CA ILE A 24 2.526 -0.276 -0.671 1.00 0.00 C ATOM 369 C ILE A 24 3.621 0.745 -0.437 1.00 0.00 C ATOM 370 O ILE A 24 4.740 0.606 -0.930 1.00 0.00 O ATOM 371 CB ILE A 24 1.836 -0.067 -2.053 1.00 0.00 C ATOM 372 CG1 ILE A 24 2.095 1.333 -2.629 1.00 0.00 C ATOM 373 CG2 ILE A 24 0.340 -0.324 -1.948 1.00 0.00 C ATOM 374 CD1 ILE A 24 1.327 2.431 -1.930 1.00 0.00 C ATOM 0 H ILE A 24 0.632 0.016 0.175 1.00 0.00 H new ATOM 0 HA ILE A 24 2.953 -1.278 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 24 2.277 -0.788 -2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.161 1.551 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.832 1.335 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.124 -0.173 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.169 -1.349 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.098 0.366 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.561 3.390 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.258 2.239 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.607 2.458 -0.877 1.00 0.00 H new ATOM 386 N ALA A 25 3.289 1.762 0.354 1.00 0.00 N ATOM 387 CA ALA A 25 4.247 2.790 0.691 1.00 0.00 C ATOM 388 C ALA A 25 5.066 2.355 1.899 1.00 0.00 C ATOM 389 O ALA A 25 6.191 2.814 2.100 1.00 0.00 O ATOM 390 CB ALA A 25 3.550 4.114 0.964 1.00 0.00 C ATOM 0 H ALA A 25 2.365 1.889 0.768 1.00 0.00 H new ATOM 0 HA ALA A 25 4.916 2.935 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.293 4.871 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.000 4.426 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.857 3.995 1.797 1.00 0.00 H new ATOM 396 N SER A 26 4.495 1.452 2.699 1.00 0.00 N ATOM 397 CA SER A 26 5.181 0.944 3.882 1.00 0.00 C ATOM 398 C SER A 26 6.134 -0.182 3.499 1.00 0.00 C ATOM 399 O SER A 26 7.239 -0.286 4.033 1.00 0.00 O ATOM 400 CB SER A 26 4.168 0.446 4.915 1.00 0.00 C ATOM 401 OG SER A 26 4.222 1.225 6.098 1.00 0.00 O ATOM 0 H SER A 26 3.565 1.061 2.548 1.00 0.00 H new ATOM 0 HA SER A 26 5.757 1.758 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.164 0.488 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.370 -0.598 5.154 1.00 0.00 H new ATOM 0 HG SER A 26 3.564 0.888 6.742 1.00 0.00 H new ATOM 407 N THR A 27 5.700 -1.016 2.560 1.00 0.00 N ATOM 408 CA THR A 27 6.511 -2.128 2.088 1.00 0.00 C ATOM 409 C THR A 27 7.656 -1.611 1.230 1.00 0.00 C ATOM 410 O THR A 27 8.756 -2.164 1.240 1.00 0.00 O ATOM 411 CB THR A 27 5.655 -3.109 1.285 1.00 0.00 C ATOM 412 OG1 THR A 27 4.449 -3.399 1.970 1.00 0.00 O ATOM 413 CG2 THR A 27 6.350 -4.422 1.004 1.00 0.00 C ATOM 0 H THR A 27 4.787 -0.941 2.111 1.00 0.00 H new ATOM 0 HA THR A 27 6.923 -2.651 2.951 1.00 0.00 H new ATOM 0 HB THR A 27 5.461 -2.610 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.845 -2.630 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.686 -5.070 0.431 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.259 -4.237 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.606 -4.907 1.946 1.00 0.00 H new ATOM 421 N ALA A 28 7.390 -0.534 0.497 1.00 0.00 N ATOM 422 CA ALA A 28 8.398 0.072 -0.359 1.00 0.00 C ATOM 423 C ALA A 28 9.541 0.627 0.481 1.00 0.00 C ATOM 424 O ALA A 28 10.678 0.721 0.019 1.00 0.00 O ATOM 425 CB ALA A 28 7.779 1.170 -1.211 1.00 0.00 C ATOM 0 H ALA A 28 6.484 -0.065 0.480 1.00 0.00 H new ATOM 0 HA ALA A 28 8.798 -0.694 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.546 1.614 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.992 0.746 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.355 1.938 -0.564 1.00 0.00 H new ATOM 431 N ASN A 29 9.228 0.986 1.723 1.00 0.00 N ATOM 432 CA ASN A 29 10.227 1.525 2.637 1.00 0.00 C ATOM 433 C ASN A 29 11.209 0.439 3.058 1.00 0.00 C ATOM 434 O ASN A 29 12.357 0.419 2.612 1.00 0.00 O ATOM 435 CB ASN A 29 9.550 2.125 3.872 1.00 0.00 C ATOM 436 CG ASN A 29 9.275 3.608 3.719 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.632 4.409 4.583 1.00 0.00 O ATOM 438 ND2 ASN A 29 8.636 3.981 2.617 1.00 0.00 N ATOM 0 H ASN A 29 8.291 0.913 2.118 1.00 0.00 H new ATOM 0 HA ASN A 29 10.777 2.311 2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.612 1.602 4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.184 1.964 4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.422 4.966 2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.359 3.283 1.927 1.00 0.00 H new ATOM 445 N ASP A 30 10.749 -0.465 3.914 1.00 0.00 N ATOM 446 CA ASP A 30 11.587 -1.559 4.387 1.00 0.00 C ATOM 447 C ASP A 30 12.305 -2.219 3.218 1.00 0.00 C ATOM 448 O ASP A 30 13.492 -2.536 3.300 1.00 0.00 O ATOM 449 CB ASP A 30 10.747 -2.594 5.139 1.00 0.00 C ATOM 450 CG ASP A 30 11.162 -2.728 6.591 1.00 0.00 C ATOM 451 OD1 ASP A 30 11.197 -1.697 7.296 1.00 0.00 O ATOM 452 OD2 ASP A 30 11.454 -3.863 7.023 1.00 0.00 O ATOM 0 H ASP A 30 9.802 -0.462 4.294 1.00 0.00 H new ATOM 0 HA ASP A 30 12.330 -1.150 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.696 -2.311 5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.840 -3.562 4.646 1.00 0.00 H new ATOM 457 N VAL A 31 11.578 -2.410 2.123 1.00 0.00 N ATOM 458 CA VAL A 31 12.144 -3.017 0.927 1.00 0.00 C ATOM 459 C VAL A 31 13.230 -2.126 0.346 1.00 0.00 C ATOM 460 O VAL A 31 14.332 -2.581 0.038 1.00 0.00 O ATOM 461 CB VAL A 31 11.069 -3.253 -0.149 1.00 0.00 C ATOM 462 CG1 VAL A 31 11.711 -3.682 -1.459 1.00 0.00 C ATOM 463 CG2 VAL A 31 10.057 -4.285 0.321 1.00 0.00 C ATOM 0 H VAL A 31 10.595 -2.153 2.040 1.00 0.00 H new ATOM 0 HA VAL A 31 12.566 -3.978 1.221 1.00 0.00 H new ATOM 0 HB VAL A 31 10.541 -2.315 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.936 -3.844 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.391 -2.903 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.267 -4.607 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.306 -4.437 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.566 -5.228 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.573 -3.931 1.231 1.00 0.00 H new ATOM 473 N PHE A 32 12.906 -0.847 0.208 1.00 0.00 N ATOM 474 CA PHE A 32 13.845 0.131 -0.327 1.00 0.00 C ATOM 475 C PHE A 32 15.177 0.059 0.412 1.00 0.00 C ATOM 476 O PHE A 32 16.211 0.478 -0.107 1.00 0.00 O ATOM 477 CB PHE A 32 13.257 1.539 -0.215 1.00 0.00 C ATOM 478 CG PHE A 32 14.261 2.635 -0.435 1.00 0.00 C ATOM 479 CD1 PHE A 32 14.659 2.982 -1.717 1.00 0.00 C ATOM 480 CD2 PHE A 32 14.802 3.321 0.640 1.00 0.00 C ATOM 481 CE1 PHE A 32 15.577 3.994 -1.921 1.00 0.00 C ATOM 482 CE2 PHE A 32 15.721 4.333 0.442 1.00 0.00 C ATOM 483 CZ PHE A 32 16.110 4.670 -0.840 1.00 0.00 C ATOM 0 H PHE A 32 11.996 -0.461 0.460 1.00 0.00 H new ATOM 0 HA PHE A 32 14.021 -0.099 -1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 32 12.452 1.645 -0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.812 1.659 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.247 2.456 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 32 14.502 3.062 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 32 15.878 4.257 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 32 16.135 4.860 1.289 1.00 0.00 H new ATOM 0 HZ PHE A 32 16.829 5.460 -0.997 1.00 0.00 H new ATOM 493 N ASN A 33 15.142 -0.480 1.627 1.00 0.00 N ATOM 494 CA ASN A 33 16.344 -0.612 2.442 1.00 0.00 C ATOM 495 C ASN A 33 16.785 -2.072 2.530 1.00 0.00 C ATOM 496 O ASN A 33 17.876 -2.373 3.014 1.00 0.00 O ATOM 497 CB ASN A 33 16.097 -0.057 3.846 1.00 0.00 C ATOM 498 CG ASN A 33 17.354 0.514 4.474 1.00 0.00 C ATOM 499 OD1 ASN A 33 17.996 1.401 3.911 1.00 0.00 O ATOM 500 ND2 ASN A 33 17.711 0.007 5.648 1.00 0.00 N ATOM 0 H ASN A 33 14.293 -0.833 2.069 1.00 0.00 H new ATOM 0 HA ASN A 33 17.140 -0.039 1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 33 15.334 0.720 3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 33 15.704 -0.850 4.483 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.547 0.352 6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.149 -0.727 6.078 1.00 0.00 H new ATOM 507 N PHE A 34 15.929 -2.974 2.058 1.00 0.00 N ATOM 508 CA PHE A 34 16.227 -4.403 2.083 1.00 0.00 C ATOM 509 C PHE A 34 17.282 -4.758 1.040 1.00 0.00 C ATOM 510 O PHE A 34 18.095 -5.659 1.247 1.00 0.00 O ATOM 511 CB PHE A 34 14.951 -5.211 1.837 1.00 0.00 C ATOM 512 CG PHE A 34 15.198 -6.615 1.359 1.00 0.00 C ATOM 513 CD1 PHE A 34 15.562 -7.612 2.250 1.00 0.00 C ATOM 514 CD2 PHE A 34 15.055 -6.939 0.019 1.00 0.00 C ATOM 515 CE1 PHE A 34 15.782 -8.905 1.813 1.00 0.00 C ATOM 516 CE2 PHE A 34 15.275 -8.230 -0.424 1.00 0.00 C ATOM 517 CZ PHE A 34 15.637 -9.214 0.474 1.00 0.00 C ATOM 0 H PHE A 34 15.022 -2.740 1.653 1.00 0.00 H new ATOM 0 HA PHE A 34 16.623 -4.652 3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 34 14.374 -5.249 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 34 14.340 -4.690 1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 34 15.675 -7.376 3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 34 14.768 -6.174 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 34 16.067 -9.673 2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 34 15.164 -8.468 -1.471 1.00 0.00 H new ATOM 0 HZ PHE A 34 15.807 -10.224 0.131 1.00 0.00 H new ATOM 527 N LEU A 35 17.264 -4.045 -0.081 1.00 0.00 N ATOM 528 CA LEU A 35 18.221 -4.287 -1.154 1.00 0.00 C ATOM 529 C LEU A 35 19.464 -3.419 -0.981 1.00 0.00 C ATOM 530 O LEU A 35 20.070 -2.982 -1.959 1.00 0.00 O ATOM 531 CB LEU A 35 17.577 -4.018 -2.517 1.00 0.00 C ATOM 532 CG LEU A 35 17.287 -2.548 -2.822 1.00 0.00 C ATOM 533 CD1 LEU A 35 18.004 -2.118 -4.092 1.00 0.00 C ATOM 534 CD2 LEU A 35 15.789 -2.316 -2.953 1.00 0.00 C ATOM 0 H LEU A 35 16.598 -3.296 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 35 18.523 -5.333 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.232 -4.411 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 35 16.642 -4.576 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 35 17.658 -1.944 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.787 -1.069 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 35 19.079 -2.248 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.661 -2.728 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.601 -1.264 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.395 -2.930 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.296 -2.587 -2.020 1.00 0.00 H new ATOM 546 N LYS A 36 19.840 -3.178 0.271 1.00 0.00 N ATOM 547 CA LYS A 36 21.013 -2.368 0.577 1.00 0.00 C ATOM 548 C LYS A 36 22.027 -3.169 1.386 1.00 0.00 C ATOM 549 O LYS A 36 22.208 -2.937 2.581 1.00 0.00 O ATOM 550 CB LYS A 36 20.604 -1.111 1.347 1.00 0.00 C ATOM 551 CG LYS A 36 20.841 0.177 0.577 1.00 0.00 C ATOM 552 CD LYS A 36 19.532 0.807 0.129 1.00 0.00 C ATOM 553 CE LYS A 36 19.739 2.233 -0.356 1.00 0.00 C ATOM 554 NZ LYS A 36 20.349 2.277 -1.714 1.00 0.00 N ATOM 0 H LYS A 36 19.348 -3.533 1.091 1.00 0.00 H new ATOM 0 HA LYS A 36 21.477 -2.072 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.547 -1.181 1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 36 21.160 -1.072 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 36 21.389 0.881 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 36 21.464 -0.028 -0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.094 0.209 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.822 0.802 0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.781 2.753 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.380 2.766 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.473 3.267 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.275 1.803 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.726 1.791 -2.390 1.00 0.00 H new ATOM 568 N PRO A 37 22.702 -4.127 0.733 1.00 0.00 N ATOM 569 CA PRO A 37 23.709 -4.978 1.377 1.00 0.00 C ATOM 570 C PRO A 37 24.794 -4.166 2.078 1.00 0.00 C ATOM 571 O PRO A 37 24.793 -2.936 2.027 1.00 0.00 O ATOM 572 CB PRO A 37 24.308 -5.782 0.212 1.00 0.00 C ATOM 573 CG PRO A 37 23.858 -5.082 -1.028 1.00 0.00 C ATOM 574 CD PRO A 37 22.540 -4.454 -0.687 1.00 0.00 C ATOM 0 HA PRO A 37 23.271 -5.601 2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 37 25.396 -5.811 0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 37 23.960 -6.815 0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 37 24.582 -4.328 -1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 37 23.755 -5.782 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 37 22.346 -3.566 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 37 21.709 -5.139 -0.853 1.00 0.00 H new ATOM 582 N LYS A 38 25.719 -4.862 2.734 1.00 0.00 N ATOM 583 CA LYS A 38 26.810 -4.203 3.447 1.00 0.00 C ATOM 584 C LYS A 38 27.766 -3.523 2.473 1.00 0.00 C ATOM 585 O LYS A 38 28.619 -2.733 2.878 1.00 0.00 O ATOM 586 CB LYS A 38 27.578 -5.213 4.301 1.00 0.00 C ATOM 587 CG LYS A 38 26.784 -5.749 5.480 1.00 0.00 C ATOM 588 CD LYS A 38 26.542 -7.244 5.355 1.00 0.00 C ATOM 589 CE LYS A 38 27.824 -8.035 5.558 1.00 0.00 C ATOM 590 NZ LYS A 38 27.558 -9.388 6.118 1.00 0.00 N ATOM 0 H LYS A 38 25.735 -5.881 2.787 1.00 0.00 H new ATOM 0 HA LYS A 38 26.374 -3.443 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 38 27.884 -6.048 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.489 -4.743 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 38 27.321 -5.542 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 38 25.828 -5.229 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.800 -7.556 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.128 -7.466 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 38 28.345 -8.132 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 38 28.486 -7.488 6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 28.457 -9.896 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 27.083 -9.295 7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.947 -9.920 5.466 1.00 0.00 H new ATOM 604 N LYS A 39 27.620 -3.838 1.189 1.00 0.00 N ATOM 605 CA LYS A 39 28.474 -3.259 0.159 1.00 0.00 C ATOM 606 C LYS A 39 28.832 -1.816 0.495 1.00 0.00 C ATOM 607 O LYS A 39 29.958 -1.522 0.895 1.00 0.00 O ATOM 608 CB LYS A 39 27.782 -3.318 -1.203 1.00 0.00 C ATOM 609 CG LYS A 39 27.298 -4.708 -1.580 1.00 0.00 C ATOM 610 CD LYS A 39 26.932 -4.789 -3.052 1.00 0.00 C ATOM 611 CE LYS A 39 26.295 -6.126 -3.394 1.00 0.00 C ATOM 612 NZ LYS A 39 25.128 -5.968 -4.305 1.00 0.00 N ATOM 0 H LYS A 39 26.919 -4.490 0.838 1.00 0.00 H new ATOM 0 HA LYS A 39 29.393 -3.843 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 39 26.932 -2.635 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 39 28.473 -2.963 -1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 39 28.076 -5.438 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 39 26.431 -4.970 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 39 26.243 -3.982 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 39 27.826 -4.645 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 39 27.037 -6.772 -3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 39 25.975 -6.621 -2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 24.711 -6.901 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 24.416 -5.358 -3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 25.440 -5.534 -5.197 1.00 0.00 H new ATOM 626 N ARG A 40 27.865 -0.921 0.331 1.00 0.00 N ATOM 627 CA ARG A 40 28.077 0.492 0.617 1.00 0.00 C ATOM 628 C ARG A 40 28.862 1.156 -0.512 1.00 0.00 C ATOM 629 O ARG A 40 28.397 2.118 -1.122 1.00 0.00 O ATOM 630 CB ARG A 40 28.798 0.651 1.968 1.00 0.00 C ATOM 631 CG ARG A 40 30.100 1.442 1.910 1.00 0.00 C ATOM 632 CD ARG A 40 30.604 1.781 3.303 1.00 0.00 C ATOM 633 NE ARG A 40 31.783 0.999 3.666 1.00 0.00 N ATOM 634 CZ ARG A 40 32.643 1.360 4.613 1.00 0.00 C ATOM 635 NH1 ARG A 40 32.462 2.494 5.278 1.00 0.00 N ATOM 636 NH2 ARG A 40 33.686 0.591 4.894 1.00 0.00 N ATOM 0 H ARG A 40 26.927 -1.149 0.002 1.00 0.00 H new ATOM 0 HA ARG A 40 27.110 0.991 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 40 28.122 1.142 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.009 -0.340 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.856 0.864 1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.945 2.360 1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 40 30.845 2.843 3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.811 1.599 4.029 1.00 0.00 H new ATOM 0 HE ARG A 40 31.956 0.128 3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 40 31.662 3.089 5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 40 33.122 2.770 6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 40 33.830 -0.280 4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 40 34.344 0.870 5.621 1.00 0.00 H new ATOM 650 N LYS A 41 30.053 0.634 -0.783 1.00 0.00 N ATOM 651 CA LYS A 41 30.902 1.175 -1.838 1.00 0.00 C ATOM 652 C LYS A 41 30.357 0.811 -3.215 1.00 0.00 C ATOM 653 O LYS A 41 30.293 -0.364 -3.577 1.00 0.00 O ATOM 654 CB LYS A 41 32.332 0.653 -1.688 1.00 0.00 C ATOM 655 CG LYS A 41 33.319 1.707 -1.212 1.00 0.00 C ATOM 656 CD LYS A 41 33.530 1.633 0.292 1.00 0.00 C ATOM 657 CE LYS A 41 34.150 2.912 0.831 1.00 0.00 C ATOM 658 NZ LYS A 41 35.517 3.140 0.288 1.00 0.00 N ATOM 0 H LYS A 41 30.452 -0.163 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 41 30.907 2.261 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 41 32.334 -0.179 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 41 32.668 0.259 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 41 34.273 1.570 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 41 32.953 2.698 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 41 32.575 1.454 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 41 34.175 0.787 0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 41 33.513 3.759 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 41 34.195 2.863 1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 35.917 4.004 0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 36.124 2.329 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 35.467 3.247 -0.745 1.00 0.00 H new ATOM 672 N ALA A 42 29.966 1.826 -3.979 1.00 0.00 N ATOM 673 CA ALA A 42 29.428 1.612 -5.317 1.00 0.00 C ATOM 674 C ALA A 42 28.233 0.665 -5.287 1.00 0.00 C ATOM 675 O ALA A 42 27.311 0.899 -4.477 1.00 0.00 O ATOM 676 CB ALA A 42 30.508 1.070 -6.239 1.00 0.00 C ATOM 677 OXT ALA A 42 28.227 -0.303 -6.077 1.00 0.00 O ATOM 0 H ALA A 42 30.012 2.804 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 42 29.085 2.573 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 42 30.092 0.915 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 42 31.330 1.784 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 42 30.878 0.122 -5.848 1.00 0.00 H new TER 683 ALA A 42