USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 39 THR OG1 : rot 148:sc= 0.211 USER MOD Set 1.2: A 45 THR OG1 : rot 83:sc= 0.886 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0125 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.112 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -1:sc= 0.33 USER MOD Single : A 12 GLN : amide:sc= -0.0077 X(o=-0.0077,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -141:sc= 0.765 (180deg=-0.0537) USER MOD Single : A 26 HIS : no HD1:sc= -1.86 X(o=-1.9,f=-1.6!) USER MOD Single : A 33 GLN : amide:sc=-0.00372 X(o=-0.0037,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 24:sc= 0.621 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.37 K(o=-4.4,f=-7!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.518 18.456 -5.058 1.00 0.00 N ATOM 2 CA GLY A 1 25.479 18.762 -3.639 1.00 0.00 C ATOM 3 C GLY A 1 24.134 18.367 -3.028 1.00 0.00 C ATOM 4 O GLY A 1 23.593 17.307 -3.342 1.00 0.00 O ATOM 0 H1 GLY A 1 26.470 18.126 -5.316 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.824 17.711 -5.272 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.288 19.311 -5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.284 18.234 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.651 19.828 -3.489 1.00 0.00 H new ATOM 8 N SER A 2 23.631 19.238 -2.167 1.00 0.00 N ATOM 9 CA SER A 2 22.359 18.993 -1.509 1.00 0.00 C ATOM 10 C SER A 2 21.756 20.313 -1.026 1.00 0.00 C ATOM 11 O SER A 2 22.341 20.997 -0.188 1.00 0.00 O ATOM 12 CB SER A 2 22.523 18.024 -0.337 1.00 0.00 C ATOM 13 OG SER A 2 23.592 18.404 0.525 1.00 0.00 O ATOM 0 H SER A 2 24.082 20.116 -1.909 1.00 0.00 H new ATOM 0 HA SER A 2 21.683 18.536 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.595 17.984 0.233 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.706 17.020 -0.720 1.00 0.00 H new ATOM 0 HG SER A 2 23.601 19.379 0.625 1.00 0.00 H new ATOM 18 N SER A 3 20.593 20.631 -1.574 1.00 0.00 N ATOM 19 CA SER A 3 19.904 21.858 -1.210 1.00 0.00 C ATOM 20 C SER A 3 18.540 21.917 -1.901 1.00 0.00 C ATOM 21 O SER A 3 18.330 21.267 -2.924 1.00 0.00 O ATOM 22 CB SER A 3 20.738 23.087 -1.576 1.00 0.00 C ATOM 23 OG SER A 3 20.788 23.299 -2.983 1.00 0.00 O ATOM 0 H SER A 3 20.110 20.060 -2.268 1.00 0.00 H new ATOM 0 HA SER A 3 19.757 21.860 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.317 23.968 -1.092 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.751 22.965 -1.192 1.00 0.00 H new ATOM 0 HG SER A 3 21.328 24.094 -3.175 1.00 0.00 H new ATOM 28 N GLY A 4 17.649 22.702 -1.314 1.00 0.00 N ATOM 29 CA GLY A 4 16.312 22.856 -1.860 1.00 0.00 C ATOM 30 C GLY A 4 15.459 23.768 -0.976 1.00 0.00 C ATOM 31 O GLY A 4 15.944 24.780 -0.472 1.00 0.00 O ATOM 0 H GLY A 4 17.827 23.239 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.372 23.272 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.836 21.879 -1.947 1.00 0.00 H new ATOM 35 N SER A 5 14.203 23.378 -0.816 1.00 0.00 N ATOM 36 CA SER A 5 13.279 24.148 -0.001 1.00 0.00 C ATOM 37 C SER A 5 12.384 23.207 0.807 1.00 0.00 C ATOM 38 O SER A 5 12.057 22.112 0.352 1.00 0.00 O ATOM 39 CB SER A 5 12.426 25.079 -0.866 1.00 0.00 C ATOM 40 OG SER A 5 12.825 26.441 -0.738 1.00 0.00 O ATOM 0 H SER A 5 13.804 22.539 -1.237 1.00 0.00 H new ATOM 0 HA SER A 5 13.860 24.764 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.503 24.775 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.379 24.980 -0.581 1.00 0.00 H new ATOM 0 HG SER A 5 12.258 27.003 -1.307 1.00 0.00 H new ATOM 45 N SER A 6 12.013 23.667 1.993 1.00 0.00 N ATOM 46 CA SER A 6 11.163 22.879 2.869 1.00 0.00 C ATOM 47 C SER A 6 9.796 22.664 2.216 1.00 0.00 C ATOM 48 O SER A 6 9.137 23.623 1.817 1.00 0.00 O ATOM 49 CB SER A 6 10.999 23.555 4.232 1.00 0.00 C ATOM 50 OG SER A 6 10.755 22.611 5.270 1.00 0.00 O ATOM 0 H SER A 6 12.286 24.576 2.368 1.00 0.00 H new ATOM 0 HA SER A 6 11.639 21.912 3.028 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.899 24.125 4.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.174 24.266 4.187 1.00 0.00 H new ATOM 0 HG SER A 6 10.658 23.082 6.124 1.00 0.00 H new ATOM 55 N GLY A 7 9.409 21.400 2.128 1.00 0.00 N ATOM 56 CA GLY A 7 8.133 21.046 1.531 1.00 0.00 C ATOM 57 C GLY A 7 8.316 20.014 0.416 1.00 0.00 C ATOM 58 O GLY A 7 8.831 20.336 -0.654 1.00 0.00 O ATOM 0 H GLY A 7 9.958 20.607 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.468 20.646 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.655 21.940 1.129 1.00 0.00 H new ATOM 62 N SER A 8 7.885 18.796 0.705 1.00 0.00 N ATOM 63 CA SER A 8 7.995 17.715 -0.260 1.00 0.00 C ATOM 64 C SER A 8 6.977 16.619 0.064 1.00 0.00 C ATOM 65 O SER A 8 7.047 15.994 1.121 1.00 0.00 O ATOM 66 CB SER A 8 9.411 17.135 -0.278 1.00 0.00 C ATOM 67 OG SER A 8 10.382 18.109 -0.647 1.00 0.00 O ATOM 0 H SER A 8 7.459 18.533 1.594 1.00 0.00 H new ATOM 0 HA SER A 8 7.783 18.118 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.653 16.738 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.452 16.300 -0.977 1.00 0.00 H new ATOM 0 HG SER A 8 9.936 18.961 -0.834 1.00 0.00 H new ATOM 72 N PRO A 9 6.029 16.414 -0.890 1.00 0.00 N ATOM 73 CA PRO A 9 4.998 15.406 -0.717 1.00 0.00 C ATOM 74 C PRO A 9 5.565 14.001 -0.931 1.00 0.00 C ATOM 75 O PRO A 9 6.673 13.845 -1.442 1.00 0.00 O ATOM 76 CB PRO A 9 3.919 15.770 -1.724 1.00 0.00 C ATOM 77 CG PRO A 9 4.586 16.686 -2.737 1.00 0.00 C ATOM 78 CD PRO A 9 5.915 17.137 -2.154 1.00 0.00 C ATOM 0 HA PRO A 9 4.591 15.389 0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.519 14.879 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.082 16.270 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.741 16.163 -3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.951 17.546 -2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.742 16.899 -2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.933 18.215 -1.997 1.00 0.00 H new ATOM 83 N ASP A 10 4.779 13.013 -0.528 1.00 0.00 N ATOM 84 CA ASP A 10 5.189 11.626 -0.668 1.00 0.00 C ATOM 85 C ASP A 10 4.034 10.815 -1.259 1.00 0.00 C ATOM 86 O ASP A 10 3.043 10.552 -0.579 1.00 0.00 O ATOM 87 CB ASP A 10 5.548 11.018 0.689 1.00 0.00 C ATOM 88 CG ASP A 10 6.949 11.358 1.199 1.00 0.00 C ATOM 89 OD1 ASP A 10 7.111 12.491 1.701 1.00 0.00 O ATOM 90 OD2 ASP A 10 7.828 10.476 1.076 1.00 0.00 O ATOM 0 H ASP A 10 3.861 13.146 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 10 6.063 11.597 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.818 11.354 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.456 9.934 0.621 1.00 0.00 H new ATOM 94 N VAL A 11 4.199 10.441 -2.519 1.00 0.00 N ATOM 95 CA VAL A 11 3.182 9.666 -3.209 1.00 0.00 C ATOM 96 C VAL A 11 3.805 8.370 -3.736 1.00 0.00 C ATOM 97 O VAL A 11 4.191 7.502 -2.954 1.00 0.00 O ATOM 98 CB VAL A 11 2.538 10.510 -4.311 1.00 0.00 C ATOM 99 CG1 VAL A 11 1.457 9.716 -5.048 1.00 0.00 C ATOM 100 CG2 VAL A 11 1.971 11.812 -3.743 1.00 0.00 C ATOM 0 H VAL A 11 5.022 10.660 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 11 2.383 9.388 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 11 3.313 10.769 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.015 10.339 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.902 8.830 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.683 9.413 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.519 12.393 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.215 11.583 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.774 12.389 -3.285 1.00 0.00 H new ATOM 110 N GLN A 12 3.883 8.282 -5.055 1.00 0.00 N ATOM 111 CA GLN A 12 4.451 7.107 -5.694 1.00 0.00 C ATOM 112 C GLN A 12 3.680 5.852 -5.280 1.00 0.00 C ATOM 113 O GLN A 12 2.923 5.876 -4.312 1.00 0.00 O ATOM 114 CB GLN A 12 5.939 6.970 -5.364 1.00 0.00 C ATOM 115 CG GLN A 12 6.746 6.603 -6.611 1.00 0.00 C ATOM 116 CD GLN A 12 8.219 6.982 -6.442 1.00 0.00 C ATOM 117 OE1 GLN A 12 8.659 8.054 -6.827 1.00 0.00 O ATOM 118 NE2 GLN A 12 8.954 6.047 -5.848 1.00 0.00 N ATOM 0 H GLN A 12 3.562 9.005 -5.699 1.00 0.00 H new ATOM 0 HA GLN A 12 4.361 7.225 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.311 7.907 -4.949 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.077 6.205 -4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.662 5.533 -6.801 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.332 7.115 -7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.523 5.172 -5.550 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.949 6.205 -5.690 1.00 0.00 H new ATOM 125 N LEU A 13 3.901 4.786 -6.035 1.00 0.00 N ATOM 126 CA LEU A 13 3.236 3.524 -5.760 1.00 0.00 C ATOM 127 C LEU A 13 4.095 2.699 -4.800 1.00 0.00 C ATOM 128 O LEU A 13 3.574 2.064 -3.883 1.00 0.00 O ATOM 129 CB LEU A 13 2.902 2.798 -7.065 1.00 0.00 C ATOM 130 CG LEU A 13 1.445 2.884 -7.526 1.00 0.00 C ATOM 131 CD1 LEU A 13 1.279 2.294 -8.927 1.00 0.00 C ATOM 132 CD2 LEU A 13 0.508 2.226 -6.511 1.00 0.00 C ATOM 0 H LEU A 13 4.531 4.770 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 13 2.280 3.697 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.537 3.201 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.165 1.746 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 13 1.166 3.936 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.235 2.367 -9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.902 2.847 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.582 1.247 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.521 2.301 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.776 1.176 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.600 2.731 -5.550 1.00 0.00 H new ATOM 143 N ALA A 14 5.397 2.733 -5.043 1.00 0.00 N ATOM 144 CA ALA A 14 6.334 1.996 -4.211 1.00 0.00 C ATOM 145 C ALA A 14 6.151 2.415 -2.752 1.00 0.00 C ATOM 146 O ALA A 14 5.787 1.595 -1.909 1.00 0.00 O ATOM 147 CB ALA A 14 7.759 2.236 -4.713 1.00 0.00 C ATOM 0 H ALA A 14 5.826 3.259 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 14 6.143 0.925 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.462 1.684 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.844 1.895 -5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.988 3.300 -4.663 1.00 0.00 H new ATOM 153 N THR A 15 6.412 3.688 -2.497 1.00 0.00 N ATOM 154 CA THR A 15 6.280 4.225 -1.153 1.00 0.00 C ATOM 155 C THR A 15 5.044 3.643 -0.465 1.00 0.00 C ATOM 156 O THR A 15 5.061 3.388 0.739 1.00 0.00 O ATOM 157 CB THR A 15 6.257 5.752 -1.254 1.00 0.00 C ATOM 158 OG1 THR A 15 7.628 6.110 -1.404 1.00 0.00 O ATOM 159 CG2 THR A 15 5.840 6.418 0.058 1.00 0.00 C ATOM 0 H THR A 15 6.714 4.364 -3.198 1.00 0.00 H new ATOM 0 HA THR A 15 7.126 3.939 -0.528 1.00 0.00 H new ATOM 0 HB THR A 15 5.574 6.054 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.705 7.084 -1.479 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.840 7.501 -0.068 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.839 6.085 0.333 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.543 6.144 0.845 1.00 0.00 H new ATOM 167 N LEU A 16 4.000 3.450 -1.257 1.00 0.00 N ATOM 168 CA LEU A 16 2.758 2.903 -0.740 1.00 0.00 C ATOM 169 C LEU A 16 2.939 1.408 -0.466 1.00 0.00 C ATOM 170 O LEU A 16 2.806 0.962 0.672 1.00 0.00 O ATOM 171 CB LEU A 16 1.597 3.218 -1.687 1.00 0.00 C ATOM 172 CG LEU A 16 1.136 4.677 -1.718 1.00 0.00 C ATOM 173 CD1 LEU A 16 0.031 4.880 -2.756 1.00 0.00 C ATOM 174 CD2 LEU A 16 0.709 5.148 -0.327 1.00 0.00 C ATOM 0 H LEU A 16 3.989 3.663 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 16 2.501 3.373 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.888 2.928 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.747 2.595 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 16 1.981 5.295 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.279 5.925 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.406 4.611 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.822 4.249 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.386 6.188 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.115 4.530 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.551 5.063 0.360 1.00 0.00 H new ATOM 185 N ALA A 17 3.240 0.677 -1.529 1.00 0.00 N ATOM 186 CA ALA A 17 3.440 -0.758 -1.417 1.00 0.00 C ATOM 187 C ALA A 17 4.214 -1.062 -0.134 1.00 0.00 C ATOM 188 O ALA A 17 4.030 -2.117 0.472 1.00 0.00 O ATOM 189 CB ALA A 17 4.158 -1.272 -2.667 1.00 0.00 C ATOM 0 H ALA A 17 3.350 1.051 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 17 2.483 -1.275 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.308 -2.348 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.553 -1.057 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.125 -0.777 -2.761 1.00 0.00 H new ATOM 195 N GLN A 18 5.064 -0.119 0.245 1.00 0.00 N ATOM 196 CA GLN A 18 5.867 -0.272 1.446 1.00 0.00 C ATOM 197 C GLN A 18 4.970 -0.307 2.684 1.00 0.00 C ATOM 198 O GLN A 18 5.042 -1.242 3.481 1.00 0.00 O ATOM 199 CB GLN A 18 6.909 0.843 1.556 1.00 0.00 C ATOM 200 CG GLN A 18 8.172 0.493 0.768 1.00 0.00 C ATOM 201 CD GLN A 18 9.304 0.067 1.706 1.00 0.00 C ATOM 202 OE1 GLN A 18 10.096 0.871 2.168 1.00 0.00 O ATOM 203 NE2 GLN A 18 9.334 -1.238 1.960 1.00 0.00 N ATOM 0 H GLN A 18 5.214 0.755 -0.259 1.00 0.00 H new ATOM 0 HA GLN A 18 6.402 -1.219 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.489 1.776 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.163 1.006 2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.955 -0.312 0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.488 1.354 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.640 -1.856 1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.051 -1.621 2.575 1.00 0.00 H new ATOM 210 N ARG A 19 4.144 0.722 2.806 1.00 0.00 N ATOM 211 CA ARG A 19 3.233 0.819 3.933 1.00 0.00 C ATOM 212 C ARG A 19 2.233 -0.338 3.911 1.00 0.00 C ATOM 213 O ARG A 19 2.265 -1.208 4.781 1.00 0.00 O ATOM 214 CB ARG A 19 2.468 2.144 3.910 1.00 0.00 C ATOM 215 CG ARG A 19 3.428 3.330 3.801 1.00 0.00 C ATOM 216 CD ARG A 19 2.761 4.622 4.274 1.00 0.00 C ATOM 217 NE ARG A 19 3.723 5.435 5.052 1.00 0.00 N ATOM 218 CZ ARG A 19 4.081 5.168 6.315 1.00 0.00 C ATOM 219 NH1 ARG A 19 3.560 4.111 6.951 1.00 0.00 N ATOM 220 NH2 ARG A 19 4.962 5.960 6.942 1.00 0.00 N ATOM 0 H ARG A 19 4.087 1.495 2.143 1.00 0.00 H new ATOM 0 HA ARG A 19 3.829 0.771 4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.776 2.154 3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.870 2.238 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.319 3.137 4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.756 3.443 2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.402 5.191 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.891 4.388 4.887 1.00 0.00 H new ATOM 0 HE ARG A 19 4.139 6.249 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.890 3.508 6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.833 3.909 7.913 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.359 6.765 6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.235 5.758 7.904 1.00 0.00 H new ATOM 231 N VAL A 20 1.369 -0.313 2.907 1.00 0.00 N ATOM 232 CA VAL A 20 0.362 -1.350 2.760 1.00 0.00 C ATOM 233 C VAL A 20 0.978 -2.707 3.107 1.00 0.00 C ATOM 234 O VAL A 20 0.340 -3.535 3.755 1.00 0.00 O ATOM 235 CB VAL A 20 -0.232 -1.306 1.350 1.00 0.00 C ATOM 236 CG1 VAL A 20 -1.450 -0.381 1.297 1.00 0.00 C ATOM 237 CG2 VAL A 20 0.822 -0.886 0.324 1.00 0.00 C ATOM 0 H VAL A 20 1.346 0.409 2.187 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.463 -1.182 3.452 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.565 -2.312 1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.853 -0.368 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.213 -0.744 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.153 0.628 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.374 -0.863 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.199 0.105 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.645 -1.601 0.334 1.00 0.00 H new ATOM 247 N LYS A 21 2.212 -2.892 2.660 1.00 0.00 N ATOM 248 CA LYS A 21 2.922 -4.134 2.916 1.00 0.00 C ATOM 249 C LYS A 21 3.237 -4.238 4.410 1.00 0.00 C ATOM 250 O LYS A 21 2.945 -5.255 5.038 1.00 0.00 O ATOM 251 CB LYS A 21 4.157 -4.239 2.018 1.00 0.00 C ATOM 252 CG LYS A 21 4.963 -5.500 2.341 1.00 0.00 C ATOM 253 CD LYS A 21 4.422 -6.707 1.573 1.00 0.00 C ATOM 254 CE LYS A 21 5.456 -7.835 1.526 1.00 0.00 C ATOM 255 NZ LYS A 21 5.160 -8.762 0.411 1.00 0.00 N ATOM 0 H LYS A 21 2.738 -2.203 2.122 1.00 0.00 H new ATOM 0 HA LYS A 21 2.297 -4.990 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.850 -4.257 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.784 -3.358 2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.011 -5.342 2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.922 -5.698 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.509 -7.065 2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.158 -6.409 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.455 -7.416 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.452 -8.379 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.344 -9.740 0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.162 -8.667 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.766 -8.532 -0.402 1.00 0.00 H new ATOM 265 N GLU A 22 3.826 -3.174 4.934 1.00 0.00 N ATOM 266 CA GLU A 22 4.182 -3.134 6.341 1.00 0.00 C ATOM 267 C GLU A 22 3.044 -3.699 7.195 1.00 0.00 C ATOM 268 O GLU A 22 3.286 -4.435 8.149 1.00 0.00 O ATOM 269 CB GLU A 22 4.539 -1.711 6.776 1.00 0.00 C ATOM 270 CG GLU A 22 5.985 -1.372 6.412 1.00 0.00 C ATOM 271 CD GLU A 22 6.872 -1.341 7.659 1.00 0.00 C ATOM 272 OE1 GLU A 22 6.433 -0.725 8.653 1.00 0.00 O ATOM 273 OE2 GLU A 22 7.969 -1.935 7.590 1.00 0.00 O ATOM 0 H GLU A 22 4.066 -2.333 4.409 1.00 0.00 H new ATOM 0 HA GLU A 22 5.064 -3.757 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.864 -1.001 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.398 -1.610 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.369 -2.109 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.021 -0.404 5.912 1.00 0.00 H new ATOM 278 N VAL A 23 1.828 -3.333 6.818 1.00 0.00 N ATOM 279 CA VAL A 23 0.652 -3.795 7.536 1.00 0.00 C ATOM 280 C VAL A 23 0.348 -5.238 7.132 1.00 0.00 C ATOM 281 O VAL A 23 0.037 -6.072 7.981 1.00 0.00 O ATOM 282 CB VAL A 23 -0.520 -2.843 7.286 1.00 0.00 C ATOM 283 CG1 VAL A 23 -1.796 -3.358 7.956 1.00 0.00 C ATOM 284 CG2 VAL A 23 -0.186 -1.426 7.756 1.00 0.00 C ATOM 0 H VAL A 23 1.631 -2.722 6.025 1.00 0.00 H new ATOM 0 HA VAL A 23 0.833 -3.791 8.611 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.698 -2.805 6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.614 -2.664 7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.049 -4.338 7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.635 -3.440 9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.036 -0.770 7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.032 -1.439 8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.684 -1.058 7.213 1.00 0.00 H new ATOM 294 N LEU A 24 0.446 -5.490 5.834 1.00 0.00 N ATOM 295 CA LEU A 24 0.184 -6.819 5.308 1.00 0.00 C ATOM 296 C LEU A 24 1.411 -7.306 4.535 1.00 0.00 C ATOM 297 O LEU A 24 1.527 -7.071 3.334 1.00 0.00 O ATOM 298 CB LEU A 24 -1.104 -6.823 4.483 1.00 0.00 C ATOM 299 CG LEU A 24 -2.318 -6.153 5.130 1.00 0.00 C ATOM 300 CD1 LEU A 24 -3.196 -5.476 4.077 1.00 0.00 C ATOM 301 CD2 LEU A 24 -3.106 -7.151 5.980 1.00 0.00 C ATOM 0 H LEU A 24 0.703 -4.796 5.132 1.00 0.00 H new ATOM 0 HA LEU A 24 0.017 -7.526 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.905 -6.328 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.363 -7.857 4.256 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.961 -5.372 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.052 -5.008 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.616 -4.716 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.547 -6.221 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.964 -6.649 6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.453 -7.970 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.464 -7.545 6.767 1.00 0.00 H new ATOM 312 N PRO A 25 2.320 -7.996 5.276 1.00 0.00 N ATOM 313 CA PRO A 25 3.535 -8.519 4.673 1.00 0.00 C ATOM 314 C PRO A 25 3.236 -9.756 3.825 1.00 0.00 C ATOM 315 O PRO A 25 3.743 -9.888 2.713 1.00 0.00 O ATOM 316 CB PRO A 25 4.461 -8.810 5.843 1.00 0.00 C ATOM 317 CG PRO A 25 3.570 -8.877 7.073 1.00 0.00 C ATOM 318 CD PRO A 25 2.216 -8.293 6.702 1.00 0.00 C ATOM 0 HA PRO A 25 3.999 -7.816 3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.994 -9.749 5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.214 -8.029 5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.461 -9.908 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.014 -8.318 7.897 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.411 -9.000 6.902 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.001 -7.394 7.279 1.00 0.00 H new ATOM 323 N HIS A 26 2.414 -10.633 4.383 1.00 0.00 N ATOM 324 CA HIS A 26 2.042 -11.855 3.692 1.00 0.00 C ATOM 325 C HIS A 26 1.746 -11.545 2.224 1.00 0.00 C ATOM 326 O HIS A 26 2.445 -12.023 1.331 1.00 0.00 O ATOM 327 CB HIS A 26 0.873 -12.545 4.400 1.00 0.00 C ATOM 328 CG HIS A 26 -0.123 -11.592 5.013 1.00 0.00 C ATOM 329 ND1 HIS A 26 -1.271 -11.183 4.359 1.00 0.00 N ATOM 330 CD2 HIS A 26 -0.130 -10.970 6.228 1.00 0.00 C ATOM 331 CE1 HIS A 26 -1.933 -10.354 5.152 1.00 0.00 C ATOM 332 NE2 HIS A 26 -1.224 -10.223 6.309 1.00 0.00 N ATOM 0 H HIS A 26 1.995 -10.521 5.306 1.00 0.00 H new ATOM 0 HA HIS A 26 2.874 -12.559 3.718 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.355 -13.185 3.685 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.267 -13.194 5.182 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.626 -11.069 6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.870 -9.868 4.922 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.491 -9.645 7.106 1.00 0.00 H new ATOM 339 N VAL A 27 0.708 -10.747 2.018 1.00 0.00 N ATOM 340 CA VAL A 27 0.311 -10.368 0.674 1.00 0.00 C ATOM 341 C VAL A 27 1.558 -10.029 -0.146 1.00 0.00 C ATOM 342 O VAL A 27 2.509 -9.451 0.376 1.00 0.00 O ATOM 343 CB VAL A 27 -0.697 -9.218 0.730 1.00 0.00 C ATOM 344 CG1 VAL A 27 -0.204 -8.102 1.654 1.00 0.00 C ATOM 345 CG2 VAL A 27 -0.995 -8.679 -0.671 1.00 0.00 C ATOM 0 H VAL A 27 0.130 -10.353 2.760 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.190 -11.198 0.176 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.627 -9.608 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.938 -7.297 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.068 -8.497 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.746 -7.716 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.714 -7.863 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.073 -8.313 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.410 -9.477 -1.287 1.00 0.00 H new ATOM 355 N PRO A 28 1.511 -10.413 -1.449 1.00 0.00 N ATOM 356 CA PRO A 28 2.626 -10.156 -2.346 1.00 0.00 C ATOM 357 C PRO A 28 2.678 -8.680 -2.747 1.00 0.00 C ATOM 358 O PRO A 28 1.711 -7.945 -2.551 1.00 0.00 O ATOM 359 CB PRO A 28 2.402 -11.085 -3.528 1.00 0.00 C ATOM 360 CG PRO A 28 0.938 -11.488 -3.470 1.00 0.00 C ATOM 361 CD PRO A 28 0.401 -11.100 -2.102 1.00 0.00 C ATOM 0 HA PRO A 28 3.593 -10.350 -1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.632 -10.583 -4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.050 -11.959 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.373 -10.989 -4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.831 -12.561 -3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.471 -10.451 -2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.090 -11.978 -1.535 1.00 0.00 H new ATOM 366 N LEU A 29 3.816 -8.290 -3.301 1.00 0.00 N ATOM 367 CA LEU A 29 4.007 -6.915 -3.731 1.00 0.00 C ATOM 368 C LEU A 29 3.445 -6.745 -5.144 1.00 0.00 C ATOM 369 O LEU A 29 2.918 -5.686 -5.482 1.00 0.00 O ATOM 370 CB LEU A 29 5.478 -6.513 -3.601 1.00 0.00 C ATOM 371 CG LEU A 29 5.939 -6.096 -2.202 1.00 0.00 C ATOM 372 CD1 LEU A 29 7.462 -5.977 -2.140 1.00 0.00 C ATOM 373 CD2 LEU A 29 5.244 -4.808 -1.758 1.00 0.00 C ATOM 0 H LEU A 29 4.616 -8.902 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 29 3.456 -6.233 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.093 -7.350 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.670 -5.688 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 29 5.649 -6.877 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.763 -5.680 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.912 -6.939 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.798 -5.227 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.589 -4.533 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.482 -4.007 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.165 -4.965 -1.738 1.00 0.00 H new ATOM 384 N GLY A 30 3.578 -7.803 -5.930 1.00 0.00 N ATOM 385 CA GLY A 30 3.090 -7.783 -7.298 1.00 0.00 C ATOM 386 C GLY A 30 1.589 -7.490 -7.342 1.00 0.00 C ATOM 387 O GLY A 30 1.100 -6.874 -8.287 1.00 0.00 O ATOM 0 H GLY A 30 4.016 -8.679 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.628 -7.026 -7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.291 -8.743 -7.773 1.00 0.00 H new ATOM 391 N VAL A 31 0.900 -7.943 -6.305 1.00 0.00 N ATOM 392 CA VAL A 31 -0.535 -7.737 -6.212 1.00 0.00 C ATOM 393 C VAL A 31 -0.810 -6.374 -5.571 1.00 0.00 C ATOM 394 O VAL A 31 -1.643 -5.611 -6.058 1.00 0.00 O ATOM 395 CB VAL A 31 -1.183 -8.896 -5.452 1.00 0.00 C ATOM 396 CG1 VAL A 31 -1.154 -8.647 -3.943 1.00 0.00 C ATOM 397 CG2 VAL A 31 -2.612 -9.141 -5.940 1.00 0.00 C ATOM 0 H VAL A 31 1.309 -8.452 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.984 -7.726 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.601 -9.795 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.621 -9.486 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.121 -8.546 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.700 -7.731 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.049 -9.970 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.209 -8.243 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.597 -9.385 -7.002 1.00 0.00 H new ATOM 407 N ILE A 32 -0.093 -6.111 -4.488 1.00 0.00 N ATOM 408 CA ILE A 32 -0.249 -4.854 -3.776 1.00 0.00 C ATOM 409 C ILE A 32 -0.148 -3.694 -4.769 1.00 0.00 C ATOM 410 O ILE A 32 -1.019 -2.826 -4.805 1.00 0.00 O ATOM 411 CB ILE A 32 0.751 -4.765 -2.622 1.00 0.00 C ATOM 412 CG1 ILE A 32 0.275 -5.582 -1.418 1.00 0.00 C ATOM 413 CG2 ILE A 32 1.031 -3.307 -2.250 1.00 0.00 C ATOM 414 CD1 ILE A 32 1.458 -6.040 -0.564 1.00 0.00 C ATOM 0 H ILE A 32 0.597 -6.746 -4.087 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.236 -4.796 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 32 1.694 -5.200 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.404 -4.982 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.287 -6.450 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.745 -3.272 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.445 -2.785 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.102 -2.824 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.092 -6.618 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.123 -6.660 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.004 -5.169 -0.201 1.00 0.00 H new ATOM 425 N GLN A 33 0.922 -3.717 -5.549 1.00 0.00 N ATOM 426 CA GLN A 33 1.149 -2.677 -6.539 1.00 0.00 C ATOM 427 C GLN A 33 -0.135 -2.408 -7.327 1.00 0.00 C ATOM 428 O GLN A 33 -0.522 -1.255 -7.512 1.00 0.00 O ATOM 429 CB GLN A 33 2.298 -3.054 -7.476 1.00 0.00 C ATOM 430 CG GLN A 33 3.651 -2.700 -6.854 1.00 0.00 C ATOM 431 CD GLN A 33 4.786 -2.904 -7.859 1.00 0.00 C ATOM 432 OE1 GLN A 33 4.991 -2.119 -8.769 1.00 0.00 O ATOM 433 NE2 GLN A 33 5.511 -3.998 -7.642 1.00 0.00 N ATOM 0 H GLN A 33 1.642 -4.439 -5.516 1.00 0.00 H new ATOM 0 HA GLN A 33 1.433 -1.762 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.261 -4.122 -7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.183 -2.533 -8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.640 -1.663 -6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.824 -3.319 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.285 -4.613 -6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.293 -4.222 -8.257 1.00 0.00 H new ATOM 440 N ARG A 34 -0.758 -3.489 -7.770 1.00 0.00 N ATOM 441 CA ARG A 34 -1.990 -3.383 -8.534 1.00 0.00 C ATOM 442 C ARG A 34 -3.154 -3.007 -7.615 1.00 0.00 C ATOM 443 O ARG A 34 -3.933 -2.109 -7.930 1.00 0.00 O ATOM 444 CB ARG A 34 -2.313 -4.699 -9.243 1.00 0.00 C ATOM 445 CG ARG A 34 -2.376 -4.504 -10.759 1.00 0.00 C ATOM 446 CD ARG A 34 -1.070 -4.943 -11.423 1.00 0.00 C ATOM 447 NE ARG A 34 -0.545 -3.855 -12.278 1.00 0.00 N ATOM 448 CZ ARG A 34 0.442 -4.010 -13.171 1.00 0.00 C ATOM 449 NH1 ARG A 34 1.018 -5.208 -13.331 1.00 0.00 N ATOM 450 NH2 ARG A 34 0.853 -2.965 -13.903 1.00 0.00 N ATOM 0 H ARG A 34 -0.433 -4.443 -7.615 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.849 -2.605 -9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.554 -5.443 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.266 -5.086 -8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.207 -5.078 -11.169 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.569 -3.456 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.335 -5.204 -10.661 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.240 -5.837 -12.022 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.961 -2.929 -12.181 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.706 -6.003 -12.773 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.769 -5.326 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.415 -2.052 -13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.604 -3.083 -14.583 1.00 0.00 H new ATOM 461 N ASP A 35 -3.235 -3.713 -6.497 1.00 0.00 N ATOM 462 CA ASP A 35 -4.290 -3.466 -5.530 1.00 0.00 C ATOM 463 C ASP A 35 -4.326 -1.974 -5.190 1.00 0.00 C ATOM 464 O ASP A 35 -5.390 -1.417 -4.928 1.00 0.00 O ATOM 465 CB ASP A 35 -4.044 -4.240 -4.234 1.00 0.00 C ATOM 466 CG ASP A 35 -4.322 -5.741 -4.315 1.00 0.00 C ATOM 467 OD1 ASP A 35 -5.253 -6.107 -5.065 1.00 0.00 O ATOM 468 OD2 ASP A 35 -3.599 -6.491 -3.624 1.00 0.00 O ATOM 0 H ASP A 35 -2.586 -4.457 -6.239 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.232 -3.792 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.007 -4.094 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.668 -3.812 -3.449 1.00 0.00 H new ATOM 472 N LEU A 36 -3.147 -1.369 -5.206 1.00 0.00 N ATOM 473 CA LEU A 36 -3.029 0.048 -4.903 1.00 0.00 C ATOM 474 C LEU A 36 -3.821 0.853 -5.934 1.00 0.00 C ATOM 475 O LEU A 36 -4.721 1.612 -5.576 1.00 0.00 O ATOM 476 CB LEU A 36 -1.557 0.454 -4.804 1.00 0.00 C ATOM 477 CG LEU A 36 -0.872 0.174 -3.465 1.00 0.00 C ATOM 478 CD1 LEU A 36 0.627 0.466 -3.545 1.00 0.00 C ATOM 479 CD2 LEU A 36 -1.547 0.949 -2.332 1.00 0.00 C ATOM 0 H LEU A 36 -2.265 -1.834 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.462 0.266 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.004 -0.064 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.480 1.521 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.982 -0.887 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.090 0.259 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.081 -0.166 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.780 1.514 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.041 0.732 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.489 2.018 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.593 0.650 -2.259 1.00 0.00 H new ATOM 490 N ALA A 37 -3.458 0.661 -7.194 1.00 0.00 N ATOM 491 CA ALA A 37 -4.125 1.360 -8.280 1.00 0.00 C ATOM 492 C ALA A 37 -5.626 1.068 -8.224 1.00 0.00 C ATOM 493 O ALA A 37 -6.432 1.847 -8.730 1.00 0.00 O ATOM 494 CB ALA A 37 -3.500 0.946 -9.613 1.00 0.00 C ATOM 0 H ALA A 37 -2.711 0.032 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.995 2.438 -8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.000 1.470 -10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.440 1.202 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.613 -0.129 -9.750 1.00 0.00 H new ATOM 500 N LYS A 38 -5.954 -0.056 -7.604 1.00 0.00 N ATOM 501 CA LYS A 38 -7.344 -0.461 -7.475 1.00 0.00 C ATOM 502 C LYS A 38 -8.087 0.554 -6.603 1.00 0.00 C ATOM 503 O LYS A 38 -9.314 0.636 -6.649 1.00 0.00 O ATOM 504 CB LYS A 38 -7.439 -1.898 -6.961 1.00 0.00 C ATOM 505 CG LYS A 38 -8.050 -2.820 -8.020 1.00 0.00 C ATOM 506 CD LYS A 38 -7.001 -3.249 -9.047 1.00 0.00 C ATOM 507 CE LYS A 38 -7.208 -2.525 -10.378 1.00 0.00 C ATOM 508 NZ LYS A 38 -5.959 -2.531 -11.171 1.00 0.00 N ATOM 0 H LYS A 38 -5.282 -0.699 -7.186 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.832 -0.463 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.446 -2.257 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.046 -1.925 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.474 -3.701 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.869 -2.307 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.003 -3.035 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.058 -4.326 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.006 -3.009 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.524 -1.498 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.117 -2.035 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.207 -2.049 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.674 -3.513 -11.362 1.00 0.00 H new ATOM 518 N THR A 39 -7.313 1.300 -5.829 1.00 0.00 N ATOM 519 CA THR A 39 -7.883 2.305 -4.948 1.00 0.00 C ATOM 520 C THR A 39 -7.035 3.578 -4.973 1.00 0.00 C ATOM 521 O THR A 39 -7.425 4.577 -5.579 1.00 0.00 O ATOM 522 CB THR A 39 -8.016 1.691 -3.554 1.00 0.00 C ATOM 523 OG1 THR A 39 -6.818 0.937 -3.390 1.00 0.00 O ATOM 524 CG2 THR A 39 -9.128 0.644 -3.478 1.00 0.00 C ATOM 0 H THR A 39 -6.296 1.229 -5.794 1.00 0.00 H new ATOM 0 HA THR A 39 -8.876 2.607 -5.282 1.00 0.00 H new ATOM 0 HB THR A 39 -8.211 2.480 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.554 0.943 -2.446 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.179 0.240 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.081 1.107 -3.733 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.917 -0.162 -4.180 1.00 0.00 H new ATOM 532 N GLY A 40 -5.892 3.503 -4.308 1.00 0.00 N ATOM 533 CA GLY A 40 -4.986 4.638 -4.246 1.00 0.00 C ATOM 534 C GLY A 40 -4.873 5.172 -2.817 1.00 0.00 C ATOM 535 O GLY A 40 -4.458 6.311 -2.608 1.00 0.00 O ATOM 0 H GLY A 40 -5.572 2.674 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.001 4.342 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.342 5.429 -4.906 1.00 0.00 H new ATOM 539 N CYS A 41 -5.249 4.324 -1.871 1.00 0.00 N ATOM 540 CA CYS A 41 -5.195 4.697 -0.468 1.00 0.00 C ATOM 541 C CYS A 41 -4.888 3.442 0.351 1.00 0.00 C ATOM 542 O CYS A 41 -5.666 2.488 0.348 1.00 0.00 O ATOM 543 CB CYS A 41 -6.490 5.374 -0.012 1.00 0.00 C ATOM 544 SG CYS A 41 -6.453 7.151 -0.443 1.00 0.00 S ATOM 0 H CYS A 41 -5.592 3.380 -2.049 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.405 5.432 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.347 4.894 -0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.613 5.255 1.065 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.639 7.339 -1.439 1.00 0.00 H new ATOM 549 N VAL A 42 -3.753 3.482 1.033 1.00 0.00 N ATOM 550 CA VAL A 42 -3.334 2.360 1.855 1.00 0.00 C ATOM 551 C VAL A 42 -4.524 1.863 2.679 1.00 0.00 C ATOM 552 O VAL A 42 -4.882 0.688 2.612 1.00 0.00 O ATOM 553 CB VAL A 42 -2.136 2.762 2.719 1.00 0.00 C ATOM 554 CG1 VAL A 42 -0.902 3.027 1.854 1.00 0.00 C ATOM 555 CG2 VAL A 42 -2.470 3.978 3.586 1.00 0.00 C ATOM 0 H VAL A 42 -3.110 4.274 1.033 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.003 1.531 1.229 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.906 1.929 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.065 3.311 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.646 2.124 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.115 3.835 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.602 4.243 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.737 4.819 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.308 3.739 4.240 1.00 0.00 H new ATOM 565 N ASP A 43 -5.104 2.783 3.435 1.00 0.00 N ATOM 566 CA ASP A 43 -6.247 2.452 4.270 1.00 0.00 C ATOM 567 C ASP A 43 -7.258 1.650 3.449 1.00 0.00 C ATOM 568 O ASP A 43 -7.550 0.499 3.771 1.00 0.00 O ATOM 569 CB ASP A 43 -6.945 3.718 4.774 1.00 0.00 C ATOM 570 CG ASP A 43 -6.841 3.957 6.281 1.00 0.00 C ATOM 571 OD1 ASP A 43 -5.932 3.352 6.891 1.00 0.00 O ATOM 572 OD2 ASP A 43 -7.673 4.738 6.790 1.00 0.00 O ATOM 0 H ASP A 43 -4.805 3.757 3.487 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.887 1.875 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.523 4.579 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.999 3.667 4.501 1.00 0.00 H new ATOM 576 N LEU A 44 -7.764 2.289 2.405 1.00 0.00 N ATOM 577 CA LEU A 44 -8.737 1.649 1.535 1.00 0.00 C ATOM 578 C LEU A 44 -8.244 0.247 1.172 1.00 0.00 C ATOM 579 O LEU A 44 -8.951 -0.738 1.386 1.00 0.00 O ATOM 580 CB LEU A 44 -9.032 2.531 0.321 1.00 0.00 C ATOM 581 CG LEU A 44 -10.507 2.857 0.071 1.00 0.00 C ATOM 582 CD1 LEU A 44 -11.036 3.844 1.113 1.00 0.00 C ATOM 583 CD2 LEU A 44 -10.722 3.360 -1.357 1.00 0.00 C ATOM 0 H LEU A 44 -7.519 3.243 2.141 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.690 1.529 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.488 3.468 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.634 2.039 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.083 1.938 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.086 4.058 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.939 3.410 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.461 4.769 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.778 3.584 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.132 4.263 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.409 2.592 -2.064 1.00 0.00 H new ATOM 594 N THR A 45 -7.037 0.201 0.629 1.00 0.00 N ATOM 595 CA THR A 45 -6.442 -1.064 0.233 1.00 0.00 C ATOM 596 C THR A 45 -6.686 -2.127 1.306 1.00 0.00 C ATOM 597 O THR A 45 -7.290 -3.163 1.033 1.00 0.00 O ATOM 598 CB THR A 45 -4.959 -0.820 -0.055 1.00 0.00 C ATOM 599 OG1 THR A 45 -4.962 0.206 -1.044 1.00 0.00 O ATOM 600 CG2 THR A 45 -4.294 -2.008 -0.752 1.00 0.00 C ATOM 0 H THR A 45 -6.454 1.020 0.454 1.00 0.00 H new ATOM 0 HA THR A 45 -6.904 -1.451 -0.675 1.00 0.00 H new ATOM 0 HB THR A 45 -4.438 -0.610 0.879 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.048 1.080 -0.609 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.243 -1.782 -0.933 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.371 -2.892 -0.118 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.793 -2.198 -1.702 1.00 0.00 H new ATOM 608 N ILE A 46 -6.203 -1.833 2.505 1.00 0.00 N ATOM 609 CA ILE A 46 -6.362 -2.750 3.620 1.00 0.00 C ATOM 610 C ILE A 46 -7.786 -3.309 3.618 1.00 0.00 C ATOM 611 O ILE A 46 -7.983 -4.515 3.482 1.00 0.00 O ATOM 612 CB ILE A 46 -5.970 -2.070 4.934 1.00 0.00 C ATOM 613 CG1 ILE A 46 -4.452 -2.084 5.128 1.00 0.00 C ATOM 614 CG2 ILE A 46 -6.706 -2.699 6.118 1.00 0.00 C ATOM 615 CD1 ILE A 46 -3.915 -0.671 5.360 1.00 0.00 C ATOM 0 H ILE A 46 -5.702 -0.973 2.728 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.687 -3.599 3.513 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.277 -1.026 4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.196 -2.718 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.974 -2.519 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.409 -2.197 7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.781 -2.592 5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.453 -3.757 6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.834 -0.710 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.151 -0.046 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.377 -0.248 6.252 1.00 0.00 H new ATOM 626 N THR A 47 -8.742 -2.404 3.769 1.00 0.00 N ATOM 627 CA THR A 47 -10.142 -2.792 3.787 1.00 0.00 C ATOM 628 C THR A 47 -10.501 -3.552 2.508 1.00 0.00 C ATOM 629 O THR A 47 -10.870 -4.724 2.562 1.00 0.00 O ATOM 630 CB THR A 47 -10.979 -1.529 3.998 1.00 0.00 C ATOM 631 OG1 THR A 47 -10.865 -1.266 5.393 1.00 0.00 O ATOM 632 CG2 THR A 47 -12.475 -1.775 3.787 1.00 0.00 C ATOM 0 H THR A 47 -8.575 -1.404 3.880 1.00 0.00 H new ATOM 0 HA THR A 47 -10.352 -3.480 4.606 1.00 0.00 H new ATOM 0 HB THR A 47 -10.639 -0.751 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.377 -0.461 5.617 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.023 -0.847 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.646 -2.124 2.769 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.823 -2.529 4.493 1.00 0.00 H new ATOM 640 N ASN A 48 -10.379 -2.854 1.389 1.00 0.00 N ATOM 641 CA ASN A 48 -10.686 -3.448 0.100 1.00 0.00 C ATOM 642 C ASN A 48 -10.146 -4.880 0.061 1.00 0.00 C ATOM 643 O ASN A 48 -10.831 -5.793 -0.398 1.00 0.00 O ATOM 644 CB ASN A 48 -10.029 -2.665 -1.039 1.00 0.00 C ATOM 645 CG ASN A 48 -10.680 -1.290 -1.205 1.00 0.00 C ATOM 646 OD1 ASN A 48 -10.551 -0.409 -0.373 1.00 0.00 O ATOM 647 ND2 ASN A 48 -11.385 -1.159 -2.325 1.00 0.00 N ATOM 0 H ASN A 48 -10.072 -1.882 1.349 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.768 -3.432 -0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.965 -2.546 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.115 -3.227 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.859 -0.279 -2.529 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.452 -1.938 -2.980 1.00 0.00 H new ATOM 653 N LEU A 49 -8.924 -5.031 0.549 1.00 0.00 N ATOM 654 CA LEU A 49 -8.285 -6.335 0.576 1.00 0.00 C ATOM 655 C LEU A 49 -9.220 -7.343 1.245 1.00 0.00 C ATOM 656 O LEU A 49 -9.449 -8.429 0.716 1.00 0.00 O ATOM 657 CB LEU A 49 -6.907 -6.243 1.235 1.00 0.00 C ATOM 658 CG LEU A 49 -5.706 -6.477 0.316 1.00 0.00 C ATOM 659 CD1 LEU A 49 -4.392 -6.213 1.053 1.00 0.00 C ATOM 660 CD2 LEU A 49 -5.749 -7.879 -0.296 1.00 0.00 C ATOM 0 H LEU A 49 -8.359 -4.271 0.929 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.105 -6.692 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.807 -5.256 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.865 -6.970 2.046 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.762 -5.765 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.555 -6.387 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.370 -5.180 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.313 -6.884 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.884 -8.019 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.731 -8.624 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.663 -7.994 -0.879 1.00 0.00 H new ATOM 671 N LEU A 50 -9.737 -6.947 2.400 1.00 0.00 N ATOM 672 CA LEU A 50 -10.643 -7.802 3.147 1.00 0.00 C ATOM 673 C LEU A 50 -11.991 -7.862 2.427 1.00 0.00 C ATOM 674 O LEU A 50 -12.490 -8.945 2.123 1.00 0.00 O ATOM 675 CB LEU A 50 -10.743 -7.336 4.601 1.00 0.00 C ATOM 676 CG LEU A 50 -12.142 -7.366 5.221 1.00 0.00 C ATOM 677 CD1 LEU A 50 -12.723 -8.781 5.194 1.00 0.00 C ATOM 678 CD2 LEU A 50 -12.128 -6.777 6.633 1.00 0.00 C ATOM 0 H LEU A 50 -9.545 -6.045 2.836 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.258 -8.821 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.085 -7.959 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.362 -6.317 4.662 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.798 -6.738 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.717 -8.775 5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.790 -9.127 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.076 -9.451 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.134 -6.810 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.454 -7.358 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.786 -5.743 6.592 1.00 0.00 H new ATOM 689 N GLU A 51 -12.544 -6.685 2.173 1.00 0.00 N ATOM 690 CA GLU A 51 -13.825 -6.590 1.494 1.00 0.00 C ATOM 691 C GLU A 51 -13.848 -7.511 0.272 1.00 0.00 C ATOM 692 O GLU A 51 -14.498 -8.554 0.288 1.00 0.00 O ATOM 693 CB GLU A 51 -14.129 -5.144 1.097 1.00 0.00 C ATOM 694 CG GLU A 51 -14.702 -4.360 2.279 1.00 0.00 C ATOM 695 CD GLU A 51 -16.231 -4.351 2.242 1.00 0.00 C ATOM 696 OE1 GLU A 51 -16.816 -5.353 2.706 1.00 0.00 O ATOM 697 OE2 GLU A 51 -16.781 -3.342 1.750 1.00 0.00 O ATOM 0 H GLU A 51 -12.128 -5.789 2.425 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.605 -6.914 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.218 -4.661 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.839 -5.132 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.360 -4.804 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.328 -3.336 2.256 1.00 0.00 H new ATOM 702 N GLY A 52 -13.128 -7.090 -0.759 1.00 0.00 N ATOM 703 CA GLY A 52 -13.057 -7.864 -1.987 1.00 0.00 C ATOM 704 C GLY A 52 -13.637 -7.078 -3.164 1.00 0.00 C ATOM 705 O GLY A 52 -14.389 -7.624 -3.970 1.00 0.00 O ATOM 0 H GLY A 52 -12.589 -6.224 -0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.020 -8.127 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.604 -8.799 -1.864 1.00 0.00 H new ATOM 709 N ALA A 53 -13.265 -5.807 -3.227 1.00 0.00 N ATOM 710 CA ALA A 53 -13.739 -4.941 -4.293 1.00 0.00 C ATOM 711 C ALA A 53 -12.923 -5.205 -5.560 1.00 0.00 C ATOM 712 O ALA A 53 -13.172 -6.177 -6.272 1.00 0.00 O ATOM 713 CB ALA A 53 -13.655 -3.482 -3.840 1.00 0.00 C ATOM 0 H ALA A 53 -12.641 -5.357 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.783 -5.152 -4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.010 -2.832 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.274 -3.340 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.620 -3.234 -3.603 1.00 0.00 H new ATOM 719 N VAL A 54 -11.964 -4.323 -5.803 1.00 0.00 N ATOM 720 CA VAL A 54 -11.110 -4.448 -6.972 1.00 0.00 C ATOM 721 C VAL A 54 -11.962 -4.319 -8.236 1.00 0.00 C ATOM 722 O VAL A 54 -13.017 -4.940 -8.344 1.00 0.00 O ATOM 723 CB VAL A 54 -10.328 -5.762 -6.909 1.00 0.00 C ATOM 724 CG1 VAL A 54 -9.724 -6.105 -8.273 1.00 0.00 C ATOM 725 CG2 VAL A 54 -9.246 -5.705 -5.829 1.00 0.00 C ATOM 0 H VAL A 54 -11.760 -3.519 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.372 -3.646 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.026 -6.555 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.173 -7.043 -8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.522 -6.208 -9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.046 -5.309 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.705 -6.651 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.551 -4.895 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.710 -5.528 -4.859 1.00 0.00 H new ATOM 735 N ALA A 55 -11.470 -3.508 -9.161 1.00 0.00 N ATOM 736 CA ALA A 55 -12.173 -3.289 -10.414 1.00 0.00 C ATOM 737 C ALA A 55 -11.656 -4.276 -11.462 1.00 0.00 C ATOM 738 O ALA A 55 -10.693 -5.002 -11.216 1.00 0.00 O ATOM 739 CB ALA A 55 -11.998 -1.833 -10.850 1.00 0.00 C ATOM 0 H ALA A 55 -10.593 -2.995 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.241 -3.467 -10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.525 -1.669 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.406 -1.173 -10.085 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.938 -1.619 -10.986 1.00 0.00 H new ATOM 745 N PHE A 56 -12.319 -4.273 -12.610 1.00 0.00 N ATOM 746 CA PHE A 56 -11.940 -5.160 -13.696 1.00 0.00 C ATOM 747 C PHE A 56 -10.715 -4.622 -14.440 1.00 0.00 C ATOM 748 O PHE A 56 -10.494 -3.412 -14.486 1.00 0.00 O ATOM 749 CB PHE A 56 -13.125 -5.216 -14.663 1.00 0.00 C ATOM 750 CG PHE A 56 -13.559 -3.848 -15.195 1.00 0.00 C ATOM 751 CD1 PHE A 56 -12.847 -3.247 -16.186 1.00 0.00 C ATOM 752 CD2 PHE A 56 -14.657 -3.235 -14.678 1.00 0.00 C ATOM 753 CE1 PHE A 56 -13.250 -1.979 -16.679 1.00 0.00 C ATOM 754 CE2 PHE A 56 -15.060 -1.966 -15.172 1.00 0.00 C ATOM 755 CZ PHE A 56 -14.348 -1.365 -16.163 1.00 0.00 C ATOM 0 H PHE A 56 -13.117 -3.670 -12.811 1.00 0.00 H new ATOM 0 HA PHE A 56 -11.690 -6.145 -13.302 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -12.863 -5.856 -15.506 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -13.971 -5.683 -14.159 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.976 -3.735 -16.597 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -15.223 -3.713 -13.892 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -12.684 -1.501 -17.465 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -15.932 -1.478 -14.761 1.00 0.00 H new ATOM 0 HZ PHE A 56 -14.655 -0.400 -16.540 1.00 0.00 H new ATOM 764 N MET A 57 -9.952 -5.547 -15.005 1.00 0.00 N ATOM 765 CA MET A 57 -8.757 -5.181 -15.744 1.00 0.00 C ATOM 766 C MET A 57 -9.109 -4.350 -16.980 1.00 0.00 C ATOM 767 O MET A 57 -9.710 -4.860 -17.924 1.00 0.00 O ATOM 768 CB MET A 57 -8.015 -6.448 -16.175 1.00 0.00 C ATOM 769 CG MET A 57 -6.573 -6.440 -15.665 1.00 0.00 C ATOM 770 SD MET A 57 -6.106 -8.077 -15.128 1.00 0.00 S ATOM 771 CE MET A 57 -4.978 -7.660 -13.808 1.00 0.00 C ATOM 0 H MET A 57 -10.139 -6.549 -14.965 1.00 0.00 H new ATOM 0 HA MET A 57 -8.121 -4.580 -15.094 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.535 -7.326 -15.792 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.019 -6.524 -17.262 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.901 -6.102 -16.454 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.475 -5.736 -14.839 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.590 -8.574 -13.359 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.152 -7.072 -14.208 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.503 -7.079 -13.050 1.00 0.00 H new ATOM 779 N PRO A 58 -8.710 -3.052 -16.933 1.00 0.00 N ATOM 780 CA PRO A 58 -8.976 -2.145 -18.036 1.00 0.00 C ATOM 781 C PRO A 58 -8.041 -2.426 -19.214 1.00 0.00 C ATOM 782 O PRO A 58 -6.917 -2.887 -19.023 1.00 0.00 O ATOM 783 CB PRO A 58 -8.797 -0.753 -17.455 1.00 0.00 C ATOM 784 CG PRO A 58 -7.987 -0.934 -16.181 1.00 0.00 C ATOM 785 CD PRO A 58 -7.994 -2.413 -15.830 1.00 0.00 C ATOM 0 HA PRO A 58 -9.979 -2.264 -18.445 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.279 -0.100 -18.158 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.761 -0.291 -17.242 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.966 -0.581 -16.324 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.416 -0.347 -15.369 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.980 -2.803 -15.737 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.493 -2.592 -14.877 1.00 0.00 H new ATOM 790 N GLU A 59 -8.541 -2.136 -20.408 1.00 0.00 N ATOM 791 CA GLU A 59 -7.764 -2.351 -21.616 1.00 0.00 C ATOM 792 C GLU A 59 -6.352 -1.786 -21.448 1.00 0.00 C ATOM 793 O GLU A 59 -6.080 -1.061 -20.493 1.00 0.00 O ATOM 794 CB GLU A 59 -8.460 -1.736 -22.832 1.00 0.00 C ATOM 795 CG GLU A 59 -8.483 -0.210 -22.737 1.00 0.00 C ATOM 796 CD GLU A 59 -8.210 0.429 -24.100 1.00 0.00 C ATOM 797 OE1 GLU A 59 -7.376 -0.140 -24.836 1.00 0.00 O ATOM 798 OE2 GLU A 59 -8.843 1.471 -24.376 1.00 0.00 O ATOM 0 H GLU A 59 -9.474 -1.754 -20.563 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.686 -3.425 -21.788 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.944 -2.039 -23.743 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.480 -2.115 -22.902 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.453 0.120 -22.364 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.735 0.124 -22.018 1.00 0.00 H new ATOM 803 N ASP A 60 -5.493 -2.137 -22.392 1.00 0.00 N ATOM 804 CA ASP A 60 -4.116 -1.674 -22.362 1.00 0.00 C ATOM 805 C ASP A 60 -3.413 -2.089 -23.656 1.00 0.00 C ATOM 806 O ASP A 60 -3.257 -3.278 -23.927 1.00 0.00 O ATOM 807 CB ASP A 60 -3.352 -2.294 -21.189 1.00 0.00 C ATOM 808 CG ASP A 60 -2.606 -1.294 -20.303 1.00 0.00 C ATOM 809 OD1 ASP A 60 -1.903 -0.437 -20.881 1.00 0.00 O ATOM 810 OD2 ASP A 60 -2.754 -1.410 -19.067 1.00 0.00 O ATOM 0 H ASP A 60 -5.724 -2.737 -23.184 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.128 -0.590 -22.253 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.056 -2.851 -20.570 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.634 -3.014 -21.582 1.00 0.00 H new ATOM 814 N ILE A 61 -3.007 -1.085 -24.419 1.00 0.00 N ATOM 815 CA ILE A 61 -2.324 -1.330 -25.678 1.00 0.00 C ATOM 816 C ILE A 61 -1.110 -2.227 -25.428 1.00 0.00 C ATOM 817 O ILE A 61 -0.042 -1.742 -25.058 1.00 0.00 O ATOM 818 CB ILE A 61 -1.981 -0.008 -26.368 1.00 0.00 C ATOM 819 CG1 ILE A 61 -1.000 0.811 -25.527 1.00 0.00 C ATOM 820 CG2 ILE A 61 -3.249 0.782 -26.702 1.00 0.00 C ATOM 821 CD1 ILE A 61 0.342 0.967 -26.246 1.00 0.00 C ATOM 0 H ILE A 61 -3.138 -0.100 -24.190 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.978 -1.863 -26.369 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.485 -0.234 -27.312 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.424 1.794 -25.323 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.846 0.324 -24.564 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.977 1.717 -27.192 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.879 0.193 -27.369 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.795 0.999 -25.784 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.021 1.553 -25.626 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.774 -0.017 -26.427 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.188 1.476 -27.197 1.00 0.00 H new TER 832 ILE A 61