USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 634 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 43 TYR OH : rot -27:sc= -4.06! USER MOD Set 1.2: A 45 LYS NZ :NH3+ -132:sc= -0.545 (180deg=-5.89!) USER MOD Set 2.1: A 39 GLN : amide:sc= 0 X(o=0.17,f=0.17) USER MOD Set 2.2: A 41 SER OG : rot 180:sc= 0.169 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.861 USER MOD Set 3.2: A 26 THR OG1 : rot -170:sc= -1.29! USER MOD Single : A 7 ASN : amide:sc= -20! C(o=-20!,f=-23!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 39:sc= 0.821 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -109:sc= -0.156 (180deg=-0.646) USER MOD Single : A 17 SER OG : rot 63:sc= -1.68! USER MOD Single : A 21 THR OG1 : rot 72:sc= 0.684 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0369) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -14.8! C(o=-15!,f=-14!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -15.7! C(o=-16!,f=-16!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -11.6! C(o=-12!,f=-9!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.03 K(o=-2,f=-5.4!) USER MOD Single : A 59 THR OG1 : rot 76:sc= 1.08 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 64 THR OG1 : rot -73:sc= -2.68! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= -1.76! (180deg=-3.16!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.134) USER MOD Single : A 78 ASN : amide:sc= -7.71! C(o=-7.7!,f=-8.4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.256 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.584 17.513 -5.830 1.00 0.00 N ATOM 38 CA ASP A 3 -6.695 16.570 -5.833 1.00 0.00 C ATOM 39 C ASP A 3 -6.318 15.284 -6.565 1.00 0.00 C ATOM 40 O ASP A 3 -6.725 15.064 -7.705 1.00 0.00 O ATOM 41 CB ASP A 3 -7.923 17.201 -6.482 1.00 0.00 C ATOM 42 CG ASP A 3 -9.092 17.311 -5.522 1.00 0.00 C ATOM 43 OD1 ASP A 3 -8.862 17.230 -4.294 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.235 17.480 -5.994 1.00 0.00 O ATOM 0 HA ASP A 3 -6.929 16.320 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.666 18.193 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.220 16.606 -7.346 1.00 0.00 H new ATOM 49 N PRO A 4 -5.526 14.415 -5.917 1.00 0.00 N ATOM 50 CA PRO A 4 -5.089 13.153 -6.500 1.00 0.00 C ATOM 51 C PRO A 4 -6.075 12.022 -6.237 1.00 0.00 C ATOM 52 O PRO A 4 -6.959 12.144 -5.389 1.00 0.00 O ATOM 53 CB PRO A 4 -3.780 12.890 -5.771 1.00 0.00 C ATOM 54 CG PRO A 4 -3.971 13.490 -4.413 1.00 0.00 C ATOM 55 CD PRO A 4 -4.984 14.604 -4.560 1.00 0.00 C ATOM 0 HA PRO A 4 -5.000 13.204 -7.585 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.571 11.822 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.939 13.348 -6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.323 12.739 -3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.028 13.875 -4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.766 14.535 -3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.519 15.584 -4.449 1.00 0.00 H new ATOM 63 N THR A 5 -5.917 10.919 -6.960 1.00 0.00 N ATOM 64 CA THR A 5 -6.798 9.771 -6.779 1.00 0.00 C ATOM 65 C THR A 5 -6.002 8.525 -6.408 1.00 0.00 C ATOM 66 O THR A 5 -4.774 8.558 -6.351 1.00 0.00 O ATOM 67 CB THR A 5 -7.626 9.514 -8.038 1.00 0.00 C ATOM 68 OG1 THR A 5 -7.855 10.719 -8.747 1.00 0.00 O ATOM 69 CG2 THR A 5 -8.974 8.889 -7.751 1.00 0.00 C ATOM 0 H THR A 5 -5.195 10.795 -7.670 1.00 0.00 H new ATOM 0 HA THR A 5 -7.478 10.002 -5.959 1.00 0.00 H new ATOM 0 HB THR A 5 -7.036 8.814 -8.630 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.385 10.531 -9.550 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.510 8.734 -8.687 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.832 7.931 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.553 9.552 -7.108 1.00 0.00 H new ATOM 77 N ILE A 6 -6.708 7.431 -6.143 1.00 0.00 N ATOM 78 CA ILE A 6 -6.063 6.181 -5.765 1.00 0.00 C ATOM 79 C ILE A 6 -7.049 5.025 -5.753 1.00 0.00 C ATOM 80 O ILE A 6 -8.223 5.202 -5.428 1.00 0.00 O ATOM 81 CB ILE A 6 -5.428 6.293 -4.371 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.679 5.009 -4.018 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.500 6.588 -3.330 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.384 4.838 -4.778 1.00 0.00 C ATOM 0 H ILE A 6 -7.726 7.386 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.292 5.987 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.712 7.115 -4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.467 5.004 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.325 4.154 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.039 6.665 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.995 7.528 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.234 5.782 -3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.906 3.906 -4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.591 4.811 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.720 5.674 -4.558 1.00 0.00 H new ATOM 96 N ASN A 7 -6.569 3.839 -6.110 1.00 0.00 N ATOM 97 CA ASN A 7 -7.424 2.659 -6.134 1.00 0.00 C ATOM 98 C ASN A 7 -8.116 2.427 -4.812 1.00 0.00 C ATOM 99 O ASN A 7 -9.150 3.052 -4.572 1.00 0.00 O ATOM 100 CB ASN A 7 -6.686 1.426 -6.678 1.00 0.00 C ATOM 101 CG ASN A 7 -5.175 1.470 -6.473 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.420 0.904 -7.265 1.00 0.00 O ATOM 103 ND2 ASN A 7 -4.722 2.136 -5.416 1.00 0.00 N ATOM 0 H ASN A 7 -5.601 3.670 -6.384 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.228 2.852 -6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.083 0.534 -6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.896 1.330 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.719 2.191 -5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.377 2.593 -4.782 1.00 0.00 H new ATOM 110 N PRO A 8 -7.653 1.549 -3.926 1.00 0.00 N ATOM 111 CA PRO A 8 -8.361 1.338 -2.707 1.00 0.00 C ATOM 112 C PRO A 8 -7.772 2.112 -1.536 1.00 0.00 C ATOM 113 O PRO A 8 -6.942 3.004 -1.722 1.00 0.00 O ATOM 114 CB PRO A 8 -8.202 -0.147 -2.513 1.00 0.00 C ATOM 115 CG PRO A 8 -6.897 -0.506 -3.161 1.00 0.00 C ATOM 116 CD PRO A 8 -6.479 0.672 -3.997 1.00 0.00 C ATOM 0 HA PRO A 8 -9.394 1.682 -2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.197 -0.405 -1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.028 -0.692 -2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.142 -0.731 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.006 -1.397 -3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.587 1.156 -3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.252 0.381 -5.023 1.00 0.00 H new ATOM 124 N THR A 9 -8.210 1.773 -0.328 1.00 0.00 N ATOM 125 CA THR A 9 -7.730 2.446 0.861 1.00 0.00 C ATOM 126 C THR A 9 -7.231 1.457 1.908 1.00 0.00 C ATOM 127 O THR A 9 -6.481 1.825 2.812 1.00 0.00 O ATOM 128 CB THR A 9 -8.834 3.332 1.444 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.296 4.547 1.936 1.00 0.00 O ATOM 130 CG2 THR A 9 -9.609 2.686 2.573 1.00 0.00 C ATOM 0 H THR A 9 -8.895 1.038 -0.153 1.00 0.00 H new ATOM 0 HA THR A 9 -6.884 3.070 0.573 1.00 0.00 H new ATOM 0 HB THR A 9 -9.520 3.504 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.018 5.099 2.303 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.372 3.376 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.085 1.774 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.928 2.442 3.389 1.00 0.00 H new ATOM 138 N SER A 10 -7.653 0.210 1.788 1.00 0.00 N ATOM 139 CA SER A 10 -7.243 -0.808 2.740 1.00 0.00 C ATOM 140 C SER A 10 -7.653 -2.209 2.297 1.00 0.00 C ATOM 141 O SER A 10 -8.685 -2.400 1.653 1.00 0.00 O ATOM 142 CB SER A 10 -7.835 -0.510 4.119 1.00 0.00 C ATOM 143 OG SER A 10 -7.522 -1.538 5.043 1.00 0.00 O ATOM 0 H SER A 10 -8.273 -0.120 1.049 1.00 0.00 H new ATOM 0 HA SER A 10 -6.155 -0.781 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.450 0.442 4.485 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.917 -0.406 4.039 1.00 0.00 H new ATOM 0 HG SER A 10 -6.604 -1.846 4.891 1.00 0.00 H new ATOM 149 N ILE A 11 -6.834 -3.184 2.676 1.00 0.00 N ATOM 150 CA ILE A 11 -7.086 -4.585 2.361 1.00 0.00 C ATOM 151 C ILE A 11 -6.530 -5.476 3.468 1.00 0.00 C ATOM 152 O ILE A 11 -5.858 -4.992 4.379 1.00 0.00 O ATOM 153 CB ILE A 11 -6.459 -4.993 1.015 1.00 0.00 C ATOM 154 CG1 ILE A 11 -5.083 -4.351 0.847 1.00 0.00 C ATOM 155 CG2 ILE A 11 -7.374 -4.606 -0.132 1.00 0.00 C ATOM 156 CD1 ILE A 11 -4.472 -4.579 -0.515 1.00 0.00 C ATOM 0 H ILE A 11 -5.979 -3.026 3.209 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.166 -4.713 2.284 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.333 -6.076 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.168 -3.279 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.411 -4.747 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.918 -4.901 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.333 -5.112 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.530 -3.527 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.496 -4.095 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.355 -5.649 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.123 -4.158 -1.281 1.00 0.00 H new ATOM 168 N SER A 12 -6.820 -6.769 3.397 1.00 0.00 N ATOM 169 CA SER A 12 -6.345 -7.702 4.416 1.00 0.00 C ATOM 170 C SER A 12 -5.817 -8.993 3.797 1.00 0.00 C ATOM 171 O SER A 12 -6.400 -9.530 2.854 1.00 0.00 O ATOM 172 CB SER A 12 -7.470 -8.026 5.401 1.00 0.00 C ATOM 173 OG SER A 12 -8.658 -7.332 5.064 1.00 0.00 O ATOM 0 H SER A 12 -7.375 -7.194 2.654 1.00 0.00 H new ATOM 0 HA SER A 12 -5.523 -7.220 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.660 -9.099 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.162 -7.757 6.411 1.00 0.00 H new ATOM 0 HG SER A 12 -9.362 -7.557 5.707 1.00 0.00 H new ATOM 179 N ALA A 13 -4.708 -9.487 4.341 1.00 0.00 N ATOM 180 CA ALA A 13 -4.093 -10.714 3.860 1.00 0.00 C ATOM 181 C ALA A 13 -2.989 -11.176 4.807 1.00 0.00 C ATOM 182 O ALA A 13 -2.331 -10.364 5.456 1.00 0.00 O ATOM 183 CB ALA A 13 -3.539 -10.507 2.458 1.00 0.00 C ATOM 0 H ALA A 13 -4.216 -9.050 5.121 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.856 -11.491 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.081 -11.432 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.349 -10.225 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.790 -9.715 2.476 1.00 0.00 H new ATOM 189 N LYS A 14 -2.784 -12.486 4.877 1.00 0.00 N ATOM 190 CA LYS A 14 -1.747 -13.047 5.738 1.00 0.00 C ATOM 191 C LYS A 14 -0.372 -12.711 5.172 1.00 0.00 C ATOM 192 O LYS A 14 -0.212 -12.567 3.959 1.00 0.00 O ATOM 193 CB LYS A 14 -1.918 -14.563 5.871 1.00 0.00 C ATOM 194 CG LYS A 14 -0.707 -15.269 6.459 1.00 0.00 C ATOM 195 CD LYS A 14 -0.848 -16.781 6.380 1.00 0.00 C ATOM 196 CE LYS A 14 -1.159 -17.239 4.965 1.00 0.00 C ATOM 197 NZ LYS A 14 -2.614 -17.484 4.767 1.00 0.00 N ATOM 0 H LYS A 14 -3.319 -13.178 4.351 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.838 -12.609 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.786 -14.767 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.129 -14.983 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.191 -14.958 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.579 -14.969 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.074 -17.252 6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.641 -17.109 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.818 -16.484 4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.605 -18.152 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.785 -18.506 4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.143 -17.114 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.932 -17.003 3.901 1.00 0.00 H new ATOM 211 N ALA A 15 0.619 -12.579 6.040 1.00 0.00 N ATOM 212 CA ALA A 15 1.955 -12.248 5.580 1.00 0.00 C ATOM 213 C ALA A 15 2.487 -13.321 4.658 1.00 0.00 C ATOM 214 O ALA A 15 2.882 -14.409 5.083 1.00 0.00 O ATOM 215 CB ALA A 15 2.905 -12.004 6.744 1.00 0.00 C ATOM 0 H ALA A 15 0.525 -12.694 7.049 1.00 0.00 H new ATOM 0 HA ALA A 15 1.889 -11.318 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.895 -11.759 6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.535 -11.176 7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.966 -12.902 7.358 1.00 0.00 H new ATOM 221 N GLY A 16 2.468 -12.993 3.383 1.00 0.00 N ATOM 222 CA GLY A 16 2.918 -13.900 2.362 1.00 0.00 C ATOM 223 C GLY A 16 1.858 -14.062 1.302 1.00 0.00 C ATOM 224 O GLY A 16 2.153 -14.117 0.115 1.00 0.00 O ATOM 0 H GLY A 16 2.141 -12.093 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.837 -13.525 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.151 -14.869 2.804 1.00 0.00 H new ATOM 228 N SER A 17 0.605 -14.083 1.737 1.00 0.00 N ATOM 229 CA SER A 17 -0.503 -14.202 0.824 1.00 0.00 C ATOM 230 C SER A 17 -0.657 -12.919 0.021 1.00 0.00 C ATOM 231 O SER A 17 -1.664 -12.701 -0.653 1.00 0.00 O ATOM 232 CB SER A 17 -1.769 -14.477 1.621 1.00 0.00 C ATOM 233 OG SER A 17 -1.548 -14.301 3.006 1.00 0.00 O ATOM 0 H SER A 17 0.340 -14.019 2.720 1.00 0.00 H new ATOM 0 HA SER A 17 -0.322 -15.023 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.564 -13.809 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.108 -15.495 1.430 1.00 0.00 H new ATOM 0 HG SER A 17 -1.315 -13.366 3.184 1.00 0.00 H new ATOM 239 N PHE A 18 0.346 -12.067 0.111 1.00 0.00 N ATOM 240 CA PHE A 18 0.342 -10.804 -0.567 1.00 0.00 C ATOM 241 C PHE A 18 1.070 -10.901 -1.892 1.00 0.00 C ATOM 242 O PHE A 18 2.232 -10.521 -2.005 1.00 0.00 O ATOM 243 CB PHE A 18 1.009 -9.775 0.314 1.00 0.00 C ATOM 244 CG PHE A 18 0.163 -9.334 1.473 1.00 0.00 C ATOM 245 CD1 PHE A 18 -0.951 -8.542 1.271 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.485 -9.714 2.766 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.732 -8.136 2.339 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.285 -9.312 3.836 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.398 -8.523 3.622 1.00 0.00 C ATOM 0 H PHE A 18 1.187 -12.241 0.662 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.688 -10.510 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.944 -10.186 0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.265 -8.904 -0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.215 -8.237 0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.352 -10.334 2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.601 -7.518 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.019 -9.613 4.838 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.007 -8.209 4.457 1.00 0.00 H new ATOM 259 N ALA A 19 0.379 -11.413 -2.891 1.00 0.00 N ATOM 260 CA ALA A 19 0.961 -11.553 -4.217 1.00 0.00 C ATOM 261 C ALA A 19 1.162 -10.183 -4.854 1.00 0.00 C ATOM 262 O ALA A 19 0.272 -9.334 -4.799 1.00 0.00 O ATOM 263 CB ALA A 19 0.076 -12.425 -5.097 1.00 0.00 C ATOM 0 H ALA A 19 -0.584 -11.739 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 19 1.933 -12.036 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.526 -12.519 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.023 -13.413 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.909 -11.968 -5.189 1.00 0.00 H new ATOM 269 N ASP A 20 2.337 -9.967 -5.450 1.00 0.00 N ATOM 270 CA ASP A 20 2.655 -8.691 -6.089 1.00 0.00 C ATOM 271 C ASP A 20 1.411 -8.086 -6.731 1.00 0.00 C ATOM 272 O ASP A 20 0.618 -8.795 -7.351 1.00 0.00 O ATOM 273 CB ASP A 20 3.745 -8.882 -7.142 1.00 0.00 C ATOM 274 CG ASP A 20 4.045 -7.605 -7.902 1.00 0.00 C ATOM 275 OD1 ASP A 20 3.122 -7.073 -8.555 1.00 0.00 O ATOM 276 OD2 ASP A 20 5.202 -7.137 -7.846 1.00 0.00 O ATOM 0 H ASP A 20 3.083 -10.660 -5.503 1.00 0.00 H new ATOM 0 HA ASP A 20 3.019 -8.007 -5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.655 -9.236 -6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.436 -9.656 -7.845 1.00 0.00 H new ATOM 281 N THR A 21 1.236 -6.777 -6.575 1.00 0.00 N ATOM 282 CA THR A 21 0.078 -6.110 -7.138 1.00 0.00 C ATOM 283 C THR A 21 0.412 -4.682 -7.541 1.00 0.00 C ATOM 284 O THR A 21 1.266 -4.031 -6.943 1.00 0.00 O ATOM 285 CB THR A 21 -1.078 -6.121 -6.140 1.00 0.00 C ATOM 286 OG1 THR A 21 -1.583 -7.433 -5.975 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.234 -5.232 -6.548 1.00 0.00 C ATOM 0 H THR A 21 1.877 -6.167 -6.068 1.00 0.00 H new ATOM 0 HA THR A 21 -0.223 -6.654 -8.033 1.00 0.00 H new ATOM 0 HB THR A 21 -0.659 -5.737 -5.210 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.935 -7.973 -5.476 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.020 -5.288 -5.794 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.888 -4.202 -6.636 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.628 -5.565 -7.508 1.00 0.00 H new ATOM 295 N LYS A 22 -0.267 -4.213 -8.569 1.00 0.00 N ATOM 296 CA LYS A 22 -0.069 -2.881 -9.082 1.00 0.00 C ATOM 297 C LYS A 22 -1.105 -1.919 -8.520 1.00 0.00 C ATOM 298 O LYS A 22 -2.072 -2.328 -7.876 1.00 0.00 O ATOM 299 CB LYS A 22 -0.130 -2.880 -10.611 1.00 0.00 C ATOM 300 CG LYS A 22 -0.744 -4.133 -11.215 1.00 0.00 C ATOM 301 CD LYS A 22 -2.239 -4.210 -10.944 1.00 0.00 C ATOM 302 CE LYS A 22 -2.729 -5.648 -10.936 1.00 0.00 C ATOM 303 NZ LYS A 22 -2.505 -6.319 -12.246 1.00 0.00 N ATOM 0 H LYS A 22 -0.973 -4.751 -9.071 1.00 0.00 H new ATOM 0 HA LYS A 22 0.919 -2.546 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.705 -2.014 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.880 -2.760 -11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.568 -4.143 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.253 -5.015 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.461 -3.743 -9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.778 -3.645 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.214 -6.202 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.792 -5.668 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.929 -7.269 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.946 -5.759 -13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.484 -6.399 -12.425 1.00 0.00 H new ATOM 317 N ILE A 23 -0.882 -0.643 -8.766 1.00 0.00 N ATOM 318 CA ILE A 23 -1.771 0.402 -8.294 1.00 0.00 C ATOM 319 C ILE A 23 -1.771 1.586 -9.253 1.00 0.00 C ATOM 320 O ILE A 23 -0.814 1.790 -10.001 1.00 0.00 O ATOM 321 CB ILE A 23 -1.364 0.865 -6.885 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.914 -0.102 -5.844 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.837 2.288 -6.612 1.00 0.00 C ATOM 324 CD1 ILE A 23 -1.756 0.374 -4.418 1.00 0.00 C ATOM 0 H ILE A 23 -0.081 -0.301 -9.298 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.779 -0.009 -8.250 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.276 0.867 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.972 -0.272 -6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.410 -1.062 -5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.534 2.586 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.393 2.965 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.923 2.332 -6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.172 -0.369 -3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.698 0.516 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.284 1.319 -4.289 1.00 0.00 H new ATOM 336 N THR A 24 -2.848 2.366 -9.236 1.00 0.00 N ATOM 337 CA THR A 24 -2.957 3.524 -10.111 1.00 0.00 C ATOM 338 C THR A 24 -3.187 4.801 -9.309 1.00 0.00 C ATOM 339 O THR A 24 -4.291 5.056 -8.830 1.00 0.00 O ATOM 340 CB THR A 24 -4.097 3.325 -11.114 1.00 0.00 C ATOM 341 OG1 THR A 24 -4.200 1.964 -11.491 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.930 4.142 -12.376 1.00 0.00 C ATOM 0 H THR A 24 -3.653 2.217 -8.628 1.00 0.00 H new ATOM 0 HA THR A 24 -2.016 3.625 -10.652 1.00 0.00 H new ATOM 0 HB THR A 24 -4.998 3.660 -10.601 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.935 1.856 -12.131 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.771 3.955 -13.044 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.897 5.201 -12.122 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.002 3.859 -12.873 1.00 0.00 H new ATOM 350 N LEU A 25 -2.135 5.600 -9.172 1.00 0.00 N ATOM 351 CA LEU A 25 -2.215 6.850 -8.439 1.00 0.00 C ATOM 352 C LEU A 25 -2.460 8.011 -9.395 1.00 0.00 C ATOM 353 O LEU A 25 -1.563 8.410 -10.140 1.00 0.00 O ATOM 354 CB LEU A 25 -0.920 7.064 -7.662 1.00 0.00 C ATOM 355 CG LEU A 25 -1.041 6.893 -6.147 1.00 0.00 C ATOM 356 CD1 LEU A 25 0.330 6.744 -5.515 1.00 0.00 C ATOM 357 CD2 LEU A 25 -1.789 8.066 -5.534 1.00 0.00 C ATOM 0 H LEU A 25 -1.214 5.400 -9.562 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.050 6.804 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.171 6.364 -8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.550 8.068 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.609 5.984 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.223 6.624 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.829 5.868 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.925 7.633 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.865 7.926 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.250 8.990 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.789 8.124 -5.963 1.00 0.00 H new ATOM 369 N THR A 26 -3.677 8.552 -9.381 1.00 0.00 N ATOM 370 CA THR A 26 -4.019 9.663 -10.262 1.00 0.00 C ATOM 371 C THR A 26 -3.285 10.928 -9.836 1.00 0.00 C ATOM 372 O THR A 26 -3.537 11.470 -8.754 1.00 0.00 O ATOM 373 CB THR A 26 -5.525 9.910 -10.262 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.227 8.727 -10.610 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.956 10.997 -11.223 1.00 0.00 C ATOM 0 H THR A 26 -4.436 8.241 -8.774 1.00 0.00 H new ATOM 0 HA THR A 26 -3.709 9.399 -11.273 1.00 0.00 H new ATOM 0 HB THR A 26 -5.764 10.230 -9.248 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.172 8.939 -10.759 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.038 11.120 -11.172 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.471 11.935 -10.953 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.670 10.720 -12.238 1.00 0.00 H new ATOM 383 N PRO A 27 -2.352 11.396 -10.690 1.00 0.00 N ATOM 384 CA PRO A 27 -1.531 12.586 -10.444 1.00 0.00 C ATOM 385 C PRO A 27 -2.139 13.856 -11.012 1.00 0.00 C ATOM 386 O PRO A 27 -1.518 14.908 -10.964 1.00 0.00 O ATOM 387 CB PRO A 27 -0.282 12.239 -11.223 1.00 0.00 C ATOM 388 CG PRO A 27 -0.826 11.600 -12.450 1.00 0.00 C ATOM 389 CD PRO A 27 -2.004 10.781 -11.986 1.00 0.00 C ATOM 0 HA PRO A 27 -1.396 12.791 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.308 13.125 -11.456 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.366 11.561 -10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.132 12.349 -13.181 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.076 10.972 -12.932 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.833 10.832 -12.692 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.744 9.728 -11.875 1.00 0.00 H new ATOM 397 N ASN A 28 -3.328 13.709 -11.582 1.00 0.00 N ATOM 398 CA ASN A 28 -4.076 14.774 -12.222 1.00 0.00 C ATOM 399 C ASN A 28 -3.915 16.082 -11.480 1.00 0.00 C ATOM 400 O ASN A 28 -4.846 16.615 -10.878 1.00 0.00 O ATOM 401 CB ASN A 28 -5.558 14.402 -12.302 1.00 0.00 C ATOM 402 CG ASN A 28 -6.237 14.997 -13.521 1.00 0.00 C ATOM 403 OD1 ASN A 28 -6.330 14.358 -14.569 1.00 0.00 O ATOM 404 ND2 ASN A 28 -6.718 16.229 -13.387 1.00 0.00 N ATOM 0 H ASN A 28 -3.812 12.812 -11.610 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.679 14.903 -13.229 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.657 13.317 -12.328 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.066 14.747 -11.401 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.187 16.682 -14.172 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.618 16.722 -12.499 1.00 0.00 H new ATOM 411 N GLY A 29 -2.705 16.567 -11.551 1.00 0.00 N ATOM 412 CA GLY A 29 -2.332 17.813 -10.903 1.00 0.00 C ATOM 413 C GLY A 29 -1.440 17.593 -9.698 1.00 0.00 C ATOM 414 O GLY A 29 -0.698 18.486 -9.287 1.00 0.00 O ATOM 0 H GLY A 29 -1.944 16.116 -12.058 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.818 18.453 -11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.233 18.342 -10.593 1.00 0.00 H new ATOM 418 N ASN A 30 -1.521 16.396 -9.135 1.00 0.00 N ATOM 419 CA ASN A 30 -0.732 16.025 -7.971 1.00 0.00 C ATOM 420 C ASN A 30 0.464 15.175 -8.366 1.00 0.00 C ATOM 421 O ASN A 30 0.580 14.737 -9.510 1.00 0.00 O ATOM 422 CB ASN A 30 -1.602 15.253 -6.982 1.00 0.00 C ATOM 423 CG ASN A 30 -3.078 15.578 -7.123 1.00 0.00 C ATOM 424 OD1 ASN A 30 -3.635 16.325 -6.327 1.00 0.00 O ATOM 425 ND2 ASN A 30 -3.717 15.005 -8.139 1.00 0.00 N ATOM 0 H ASN A 30 -2.136 15.655 -9.473 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.365 16.939 -7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.454 14.184 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.279 15.480 -5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.712 15.181 -8.280 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.212 14.390 -8.777 1.00 0.00 H new ATOM 432 N THR A 31 1.353 14.948 -7.407 1.00 0.00 N ATOM 433 CA THR A 31 2.551 14.149 -7.640 1.00 0.00 C ATOM 434 C THR A 31 2.690 13.054 -6.587 1.00 0.00 C ATOM 435 O THR A 31 1.986 13.054 -5.579 1.00 0.00 O ATOM 436 CB THR A 31 3.793 15.043 -7.627 1.00 0.00 C ATOM 437 OG1 THR A 31 4.971 14.262 -7.534 1.00 0.00 O ATOM 438 CG2 THR A 31 3.806 16.034 -6.485 1.00 0.00 C ATOM 0 H THR A 31 1.267 15.307 -6.456 1.00 0.00 H new ATOM 0 HA THR A 31 2.458 13.677 -8.618 1.00 0.00 H new ATOM 0 HB THR A 31 3.760 15.597 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.754 14.851 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.714 16.636 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.935 16.685 -6.558 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.779 15.497 -5.537 1.00 0.00 H new ATOM 446 N PHE A 32 3.600 12.124 -6.838 1.00 0.00 N ATOM 447 CA PHE A 32 3.843 11.009 -5.923 1.00 0.00 C ATOM 448 C PHE A 32 5.314 10.958 -5.516 1.00 0.00 C ATOM 449 O PHE A 32 6.202 10.962 -6.366 1.00 0.00 O ATOM 450 CB PHE A 32 3.443 9.692 -6.587 1.00 0.00 C ATOM 451 CG PHE A 32 3.728 8.470 -5.755 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.709 8.527 -4.371 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.013 7.262 -6.371 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.974 7.397 -3.619 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.279 6.133 -5.623 1.00 0.00 C ATOM 456 CZ PHE A 32 4.257 6.201 -4.248 1.00 0.00 C ATOM 0 H PHE A 32 4.187 12.117 -7.672 1.00 0.00 H new ATOM 0 HA PHE A 32 3.239 11.159 -5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.378 9.722 -6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.970 9.602 -7.537 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.486 9.460 -3.876 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.027 7.203 -7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.960 7.450 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.504 5.198 -6.115 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.461 5.318 -3.661 1.00 0.00 H new ATOM 466 N ASN A 33 5.561 10.911 -4.212 1.00 0.00 N ATOM 467 CA ASN A 33 6.929 10.858 -3.699 1.00 0.00 C ATOM 468 C ASN A 33 7.305 9.443 -3.268 1.00 0.00 C ATOM 469 O ASN A 33 8.467 9.041 -3.366 1.00 0.00 O ATOM 470 CB ASN A 33 7.087 11.819 -2.517 1.00 0.00 C ATOM 471 CG ASN A 33 8.139 12.879 -2.774 1.00 0.00 C ATOM 472 OD1 ASN A 33 9.322 12.574 -2.925 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.713 14.136 -2.823 1.00 0.00 N ATOM 0 H ASN A 33 4.838 10.908 -3.493 1.00 0.00 H new ATOM 0 HA ASN A 33 7.600 11.159 -4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.131 12.301 -2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.355 11.253 -1.625 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.376 14.893 -2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.723 14.344 -2.692 1.00 0.00 H new ATOM 480 N GLY A 34 6.320 8.694 -2.788 1.00 0.00 N ATOM 481 CA GLY A 34 6.564 7.331 -2.339 1.00 0.00 C ATOM 482 C GLY A 34 5.821 7.026 -1.054 1.00 0.00 C ATOM 483 O GLY A 34 5.042 7.844 -0.581 1.00 0.00 O ATOM 0 H GLY A 34 5.352 9.005 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.254 6.631 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.633 7.184 -2.186 1.00 0.00 H new ATOM 487 N ILE A 35 6.063 5.858 -0.475 1.00 0.00 N ATOM 488 CA ILE A 35 5.404 5.492 0.767 1.00 0.00 C ATOM 489 C ILE A 35 6.428 5.164 1.839 1.00 0.00 C ATOM 490 O ILE A 35 7.025 4.084 1.847 1.00 0.00 O ATOM 491 CB ILE A 35 4.466 4.292 0.615 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.476 4.516 -0.520 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.729 4.045 1.920 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.492 3.380 -0.683 1.00 0.00 C ATOM 0 H ILE A 35 6.704 5.155 -0.842 1.00 0.00 H new ATOM 0 HA ILE A 35 4.808 6.358 1.054 1.00 0.00 H new ATOM 0 HB ILE A 35 5.063 3.413 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.928 5.440 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.025 4.649 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.063 3.190 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.450 3.840 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.145 4.928 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.815 3.601 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.033 2.458 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.918 3.261 0.236 1.00 0.00 H new ATOM 506 N SER A 36 6.624 6.103 2.737 1.00 0.00 N ATOM 507 CA SER A 36 7.590 5.937 3.827 1.00 0.00 C ATOM 508 C SER A 36 7.247 4.742 4.693 1.00 0.00 C ATOM 509 O SER A 36 8.121 3.945 5.034 1.00 0.00 O ATOM 510 CB SER A 36 7.669 7.206 4.679 1.00 0.00 C ATOM 511 OG SER A 36 8.682 7.096 5.664 1.00 0.00 O ATOM 0 H SER A 36 6.131 6.996 2.743 1.00 0.00 H new ATOM 0 HA SER A 36 8.566 5.757 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.871 8.065 4.039 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.707 7.385 5.160 1.00 0.00 H new ATOM 0 HG SER A 36 8.714 7.920 6.194 1.00 0.00 H new ATOM 517 N GLU A 37 5.977 4.594 5.026 1.00 0.00 N ATOM 518 CA GLU A 37 5.533 3.493 5.810 1.00 0.00 C ATOM 519 C GLU A 37 6.117 2.202 5.246 1.00 0.00 C ATOM 520 O GLU A 37 6.332 1.230 5.968 1.00 0.00 O ATOM 521 CB GLU A 37 4.015 3.467 5.781 1.00 0.00 C ATOM 522 CG GLU A 37 3.354 4.788 5.416 1.00 0.00 C ATOM 523 CD GLU A 37 1.878 4.804 5.756 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.532 5.185 6.892 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.070 4.435 4.879 1.00 0.00 O ATOM 0 H GLU A 37 5.238 5.242 4.753 1.00 0.00 H new ATOM 0 HA GLU A 37 5.868 3.592 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.694 2.708 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.654 3.156 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.855 5.600 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.481 4.973 4.349 1.00 0.00 H new ATOM 532 N LEU A 38 6.393 2.228 3.944 1.00 0.00 N ATOM 533 CA LEU A 38 6.979 1.098 3.255 1.00 0.00 C ATOM 534 C LEU A 38 8.038 1.588 2.273 1.00 0.00 C ATOM 535 O LEU A 38 7.762 1.788 1.091 1.00 0.00 O ATOM 536 CB LEU A 38 5.902 0.289 2.531 1.00 0.00 C ATOM 537 CG LEU A 38 4.487 0.854 2.628 1.00 0.00 C ATOM 538 CD1 LEU A 38 3.679 0.485 1.395 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.801 0.345 3.887 1.00 0.00 C ATOM 0 H LEU A 38 6.215 3.034 3.345 1.00 0.00 H new ATOM 0 HA LEU A 38 7.452 0.444 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.174 0.213 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.900 -0.724 2.933 1.00 0.00 H new ATOM 0 HG LEU A 38 4.551 1.941 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.673 0.896 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.162 0.894 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.621 -0.600 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.793 0.756 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.748 -0.743 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.370 0.657 4.763 1.00 0.00 H new ATOM 551 N GLN A 39 9.241 1.809 2.798 1.00 0.00 N ATOM 552 CA GLN A 39 10.370 2.310 2.041 1.00 0.00 C ATOM 553 C GLN A 39 10.318 1.857 0.608 1.00 0.00 C ATOM 554 O GLN A 39 10.850 0.818 0.230 1.00 0.00 O ATOM 555 CB GLN A 39 11.685 1.867 2.687 1.00 0.00 C ATOM 556 CG GLN A 39 11.674 0.420 3.153 1.00 0.00 C ATOM 557 CD GLN A 39 13.010 -0.017 3.717 1.00 0.00 C ATOM 558 OE1 GLN A 39 14.015 -0.050 3.007 1.00 0.00 O ATOM 559 NE2 GLN A 39 13.028 -0.355 4.999 1.00 0.00 N ATOM 0 H GLN A 39 9.455 1.640 3.781 1.00 0.00 H new ATOM 0 HA GLN A 39 10.317 3.399 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.496 2.004 1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.898 2.513 3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.903 0.292 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.407 -0.226 2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.171 -0.312 5.550 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.899 -0.657 5.434 1.00 0.00 H new ATOM 568 N SER A 40 9.648 2.702 -0.142 1.00 0.00 N ATOM 569 CA SER A 40 9.416 2.561 -1.586 1.00 0.00 C ATOM 570 C SER A 40 10.122 1.360 -2.194 1.00 0.00 C ATOM 571 O SER A 40 9.559 0.660 -3.031 1.00 0.00 O ATOM 572 CB SER A 40 9.858 3.835 -2.309 1.00 0.00 C ATOM 573 OG SER A 40 11.189 4.180 -1.967 1.00 0.00 O ATOM 0 H SER A 40 9.226 3.548 0.242 1.00 0.00 H new ATOM 0 HA SER A 40 8.346 2.398 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.782 3.690 -3.387 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.188 4.655 -2.050 1.00 0.00 H new ATOM 0 HG SER A 40 11.448 4.996 -2.443 1.00 0.00 H new ATOM 579 N SER A 41 11.350 1.127 -1.777 1.00 0.00 N ATOM 580 CA SER A 41 12.119 0.002 -2.286 1.00 0.00 C ATOM 581 C SER A 41 11.323 -1.293 -2.161 1.00 0.00 C ATOM 582 O SER A 41 11.587 -2.266 -2.866 1.00 0.00 O ATOM 583 CB SER A 41 13.447 -0.119 -1.537 1.00 0.00 C ATOM 584 OG SER A 41 13.602 0.923 -0.594 1.00 0.00 O ATOM 0 H SER A 41 11.839 1.699 -1.088 1.00 0.00 H new ATOM 0 HA SER A 41 12.328 0.179 -3.341 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.494 -1.082 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.272 -0.094 -2.249 1.00 0.00 H new ATOM 0 HG SER A 41 14.459 0.819 -0.129 1.00 0.00 H new ATOM 590 N GLN A 42 10.338 -1.296 -1.262 1.00 0.00 N ATOM 591 CA GLN A 42 9.501 -2.455 -1.040 1.00 0.00 C ATOM 592 C GLN A 42 8.577 -2.693 -2.230 1.00 0.00 C ATOM 593 O GLN A 42 8.167 -3.823 -2.516 1.00 0.00 O ATOM 594 CB GLN A 42 8.722 -2.275 0.255 1.00 0.00 C ATOM 595 CG GLN A 42 8.180 -0.880 0.510 1.00 0.00 C ATOM 596 CD GLN A 42 7.244 -0.427 -0.575 1.00 0.00 C ATOM 597 OE1 GLN A 42 7.372 0.669 -1.104 1.00 0.00 O ATOM 598 NE2 GLN A 42 6.290 -1.283 -0.911 1.00 0.00 N ATOM 0 H GLN A 42 10.106 -0.495 -0.675 1.00 0.00 H new ATOM 0 HA GLN A 42 10.127 -3.342 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.886 -2.975 0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.369 -2.551 1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.659 -0.864 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.010 -0.178 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.225 -2.185 -0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.620 -1.040 -1.641 1.00 0.00 H new ATOM 607 N TYR A 43 8.289 -1.619 -2.940 1.00 0.00 N ATOM 608 CA TYR A 43 7.452 -1.681 -4.140 1.00 0.00 C ATOM 609 C TYR A 43 8.206 -1.158 -5.352 1.00 0.00 C ATOM 610 O TYR A 43 9.417 -0.938 -5.304 1.00 0.00 O ATOM 611 CB TYR A 43 6.127 -0.926 -3.960 1.00 0.00 C ATOM 612 CG TYR A 43 6.251 0.533 -3.589 1.00 0.00 C ATOM 613 CD1 TYR A 43 7.241 1.346 -4.135 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.356 1.108 -2.695 1.00 0.00 C ATOM 615 CE1 TYR A 43 7.333 2.682 -3.796 1.00 0.00 C ATOM 616 CE2 TYR A 43 5.442 2.440 -2.355 1.00 0.00 C ATOM 617 CZ TYR A 43 6.431 3.225 -2.907 1.00 0.00 C ATOM 618 OH TYR A 43 6.518 4.554 -2.567 1.00 0.00 O ATOM 0 H TYR A 43 8.622 -0.683 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 43 7.207 -2.730 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.559 -0.999 -4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.544 -1.430 -3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.948 0.925 -4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.578 0.499 -2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.109 3.298 -4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.737 2.868 -1.658 1.00 0.00 H new ATOM 0 HH TYR A 43 7.445 4.856 -2.662 1.00 0.00 H new ATOM 628 N THR A 44 7.475 -0.967 -6.430 1.00 0.00 N ATOM 629 CA THR A 44 8.034 -0.474 -7.675 1.00 0.00 C ATOM 630 C THR A 44 7.085 0.534 -8.292 1.00 0.00 C ATOM 631 O THR A 44 6.153 0.181 -9.013 1.00 0.00 O ATOM 632 CB THR A 44 8.283 -1.625 -8.649 1.00 0.00 C ATOM 633 OG1 THR A 44 9.096 -2.621 -8.052 1.00 0.00 O ATOM 634 CG2 THR A 44 8.961 -1.191 -9.930 1.00 0.00 C ATOM 0 H THR A 44 6.472 -1.149 -6.469 1.00 0.00 H new ATOM 0 HA THR A 44 8.989 0.008 -7.465 1.00 0.00 H new ATOM 0 HB THR A 44 7.294 -2.013 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.243 -3.350 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.108 -2.057 -10.576 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.337 -0.458 -10.442 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.928 -0.745 -9.697 1.00 0.00 H new ATOM 642 N LYS A 45 7.320 1.791 -7.970 1.00 0.00 N ATOM 643 CA LYS A 45 6.485 2.883 -8.457 1.00 0.00 C ATOM 644 C LYS A 45 6.649 3.082 -9.956 1.00 0.00 C ATOM 645 O LYS A 45 7.544 2.519 -10.585 1.00 0.00 O ATOM 646 CB LYS A 45 6.817 4.198 -7.740 1.00 0.00 C ATOM 647 CG LYS A 45 8.073 4.161 -6.884 1.00 0.00 C ATOM 648 CD LYS A 45 8.490 5.557 -6.452 1.00 0.00 C ATOM 649 CE LYS A 45 7.858 5.940 -5.122 1.00 0.00 C ATOM 650 NZ LYS A 45 8.844 6.562 -4.196 1.00 0.00 N ATOM 0 H LYS A 45 8.088 2.088 -7.368 1.00 0.00 H new ATOM 0 HA LYS A 45 5.452 2.607 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.927 4.984 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.972 4.474 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.897 3.543 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.883 3.694 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.576 5.604 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.198 6.278 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.037 6.635 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.431 5.053 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.769 6.117 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.805 6.424 -4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.648 7.580 -4.112 1.00 0.00 H new ATOM 664 N GLY A 46 5.763 3.897 -10.509 1.00 0.00 N ATOM 665 CA GLY A 46 5.786 4.190 -11.923 1.00 0.00 C ATOM 666 C GLY A 46 4.950 5.409 -12.253 1.00 0.00 C ATOM 667 O GLY A 46 3.811 5.282 -12.704 1.00 0.00 O ATOM 0 H GLY A 46 5.019 4.366 -9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.814 4.355 -12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.413 3.330 -12.480 1.00 0.00 H new ATOM 671 N THR A 47 5.522 6.590 -12.012 1.00 0.00 N ATOM 672 CA THR A 47 4.852 7.869 -12.268 1.00 0.00 C ATOM 673 C THR A 47 3.358 7.698 -12.533 1.00 0.00 C ATOM 674 O THR A 47 2.956 7.234 -13.602 1.00 0.00 O ATOM 675 CB THR A 47 5.509 8.575 -13.456 1.00 0.00 C ATOM 676 OG1 THR A 47 6.870 8.852 -13.186 1.00 0.00 O ATOM 677 CG2 THR A 47 4.837 9.883 -13.821 1.00 0.00 C ATOM 0 H THR A 47 6.464 6.688 -11.633 1.00 0.00 H new ATOM 0 HA THR A 47 4.959 8.475 -11.369 1.00 0.00 H new ATOM 0 HB THR A 47 5.406 7.885 -14.294 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.272 9.302 -13.958 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.352 10.332 -14.671 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.796 9.696 -14.085 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.879 10.563 -12.971 1.00 0.00 H new ATOM 685 N ASN A 48 2.543 8.085 -11.555 1.00 0.00 N ATOM 686 CA ASN A 48 1.086 7.987 -11.666 1.00 0.00 C ATOM 687 C ASN A 48 0.589 6.600 -11.263 1.00 0.00 C ATOM 688 O ASN A 48 -0.606 6.392 -11.085 1.00 0.00 O ATOM 689 CB ASN A 48 0.618 8.318 -13.089 1.00 0.00 C ATOM 690 CG ASN A 48 1.454 9.394 -13.754 1.00 0.00 C ATOM 691 OD1 ASN A 48 1.582 9.425 -14.977 1.00 0.00 O ATOM 692 ND2 ASN A 48 2.029 10.281 -12.953 1.00 0.00 N ATOM 0 H ASN A 48 2.868 8.473 -10.669 1.00 0.00 H new ATOM 0 HA ASN A 48 0.660 8.718 -10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.651 7.413 -13.696 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.422 8.642 -13.057 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.604 11.026 -13.346 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.896 10.218 -11.944 1.00 0.00 H new ATOM 699 N GLU A 49 1.512 5.659 -11.123 1.00 0.00 N ATOM 700 CA GLU A 49 1.164 4.296 -10.741 1.00 0.00 C ATOM 701 C GLU A 49 2.252 3.678 -9.879 1.00 0.00 C ATOM 702 O GLU A 49 3.360 4.199 -9.799 1.00 0.00 O ATOM 703 CB GLU A 49 0.953 3.435 -11.985 1.00 0.00 C ATOM 704 CG GLU A 49 -0.479 3.402 -12.473 1.00 0.00 C ATOM 705 CD GLU A 49 -0.581 3.320 -13.983 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.389 2.866 -14.620 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.635 3.708 -14.531 1.00 0.00 O ATOM 0 H GLU A 49 2.510 5.814 -11.268 1.00 0.00 H new ATOM 0 HA GLU A 49 0.240 4.336 -10.165 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.591 3.809 -12.786 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.276 2.417 -11.769 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.989 2.546 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.997 4.296 -12.126 1.00 0.00 H new ATOM 714 N VAL A 50 1.929 2.559 -9.241 1.00 0.00 N ATOM 715 CA VAL A 50 2.885 1.859 -8.393 1.00 0.00 C ATOM 716 C VAL A 50 2.448 0.428 -8.129 1.00 0.00 C ATOM 717 O VAL A 50 1.264 0.146 -7.972 1.00 0.00 O ATOM 718 CB VAL A 50 3.077 2.579 -7.051 1.00 0.00 C ATOM 719 CG1 VAL A 50 1.734 2.961 -6.447 1.00 0.00 C ATOM 720 CG2 VAL A 50 3.885 1.725 -6.083 1.00 0.00 C ATOM 0 H VAL A 50 1.011 2.117 -9.295 1.00 0.00 H new ATOM 0 HA VAL A 50 3.832 1.850 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 50 3.638 3.495 -7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.894 3.470 -5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.204 3.625 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.140 2.062 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.006 2.259 -5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.362 0.785 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.866 1.518 -6.511 1.00 0.00 H new ATOM 730 N THR A 51 3.416 -0.466 -8.083 1.00 0.00 N ATOM 731 CA THR A 51 3.140 -1.875 -7.842 1.00 0.00 C ATOM 732 C THR A 51 3.966 -2.404 -6.677 1.00 0.00 C ATOM 733 O THR A 51 5.188 -2.273 -6.663 1.00 0.00 O ATOM 734 CB THR A 51 3.424 -2.677 -9.113 1.00 0.00 C ATOM 735 OG1 THR A 51 2.565 -3.800 -9.203 1.00 0.00 O ATOM 736 CG2 THR A 51 4.849 -3.183 -9.213 1.00 0.00 C ATOM 0 H THR A 51 4.404 -0.245 -8.209 1.00 0.00 H new ATOM 0 HA THR A 51 2.089 -1.985 -7.577 1.00 0.00 H new ATOM 0 HB THR A 51 3.251 -1.976 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.763 -4.298 -10.023 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.972 -3.742 -10.141 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.537 -2.337 -9.205 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.064 -3.834 -8.366 1.00 0.00 H new ATOM 744 N LEU A 52 3.295 -3.018 -5.711 1.00 0.00 N ATOM 745 CA LEU A 52 3.990 -3.576 -4.558 1.00 0.00 C ATOM 746 C LEU A 52 4.463 -4.985 -4.859 1.00 0.00 C ATOM 747 O LEU A 52 3.815 -5.719 -5.610 1.00 0.00 O ATOM 748 CB LEU A 52 3.123 -3.598 -3.293 1.00 0.00 C ATOM 749 CG LEU A 52 1.634 -3.297 -3.457 1.00 0.00 C ATOM 750 CD1 LEU A 52 1.408 -1.895 -4.005 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.957 -4.347 -4.325 1.00 0.00 C ATOM 0 H LEU A 52 2.283 -3.142 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 52 4.841 -2.923 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.219 -4.583 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.537 -2.877 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 52 1.177 -3.338 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.338 -1.713 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.835 -1.163 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.888 -1.803 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.102 -4.109 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.421 -4.358 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.066 -5.327 -3.861 1.00 0.00 H new ATOM 763 N LEU A 53 5.593 -5.365 -4.274 1.00 0.00 N ATOM 764 CA LEU A 53 6.130 -6.690 -4.506 1.00 0.00 C ATOM 765 C LEU A 53 5.953 -7.600 -3.295 1.00 0.00 C ATOM 766 O LEU A 53 6.404 -7.293 -2.191 1.00 0.00 O ATOM 767 CB LEU A 53 7.606 -6.613 -4.900 1.00 0.00 C ATOM 768 CG LEU A 53 7.956 -5.488 -5.876 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.324 -4.909 -5.552 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.919 -5.999 -7.310 1.00 0.00 C ATOM 0 H LEU A 53 6.144 -4.781 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 53 5.565 -7.126 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.202 -6.488 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.898 -7.564 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 53 7.214 -4.696 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.557 -4.110 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.319 -4.509 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.078 -5.692 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.170 -5.187 -7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.641 -6.807 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.920 -6.369 -7.539 1.00 0.00 H new ATOM 782 N ALA A 54 5.308 -8.733 -3.527 1.00 0.00 N ATOM 783 CA ALA A 54 5.058 -9.725 -2.487 1.00 0.00 C ATOM 784 C ALA A 54 6.301 -10.016 -1.651 1.00 0.00 C ATOM 785 O ALA A 54 6.217 -10.700 -0.639 1.00 0.00 O ATOM 786 CB ALA A 54 4.547 -11.011 -3.115 1.00 0.00 C ATOM 0 H ALA A 54 4.942 -8.993 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 54 4.305 -9.311 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.362 -11.749 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.620 -10.810 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.292 -11.398 -3.810 1.00 0.00 H new ATOM 792 N SER A 55 7.451 -9.508 -2.075 1.00 0.00 N ATOM 793 CA SER A 55 8.691 -9.743 -1.344 1.00 0.00 C ATOM 794 C SER A 55 8.703 -8.991 -0.024 1.00 0.00 C ATOM 795 O SER A 55 9.094 -9.538 1.002 1.00 0.00 O ATOM 796 CB SER A 55 9.899 -9.341 -2.192 1.00 0.00 C ATOM 797 OG SER A 55 10.639 -10.480 -2.601 1.00 0.00 O ATOM 0 H SER A 55 7.552 -8.936 -2.913 1.00 0.00 H new ATOM 0 HA SER A 55 8.752 -10.809 -1.127 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.563 -8.788 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.542 -8.672 -1.620 1.00 0.00 H new ATOM 0 HG SER A 55 11.404 -10.196 -3.143 1.00 0.00 H new ATOM 803 N TYR A 56 8.262 -7.741 -0.053 1.00 0.00 N ATOM 804 CA TYR A 56 8.219 -6.935 1.156 1.00 0.00 C ATOM 805 C TYR A 56 6.949 -7.240 1.927 1.00 0.00 C ATOM 806 O TYR A 56 6.976 -7.518 3.132 1.00 0.00 O ATOM 807 CB TYR A 56 8.280 -5.446 0.817 1.00 0.00 C ATOM 808 CG TYR A 56 8.570 -4.571 2.015 1.00 0.00 C ATOM 809 CD1 TYR A 56 9.833 -4.546 2.591 1.00 0.00 C ATOM 810 CD2 TYR A 56 7.580 -3.769 2.569 1.00 0.00 C ATOM 811 CE1 TYR A 56 10.102 -3.748 3.687 1.00 0.00 C ATOM 812 CE2 TYR A 56 7.842 -2.965 3.662 1.00 0.00 C ATOM 813 CZ TYR A 56 9.104 -2.960 4.219 1.00 0.00 C ATOM 814 OH TYR A 56 9.368 -2.162 5.309 1.00 0.00 O ATOM 0 H TYR A 56 7.932 -7.267 -0.894 1.00 0.00 H new ATOM 0 HA TYR A 56 9.085 -7.182 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.050 -5.284 0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.331 -5.142 0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.618 -5.160 2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.590 -3.774 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 56 11.089 -3.742 4.124 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.063 -2.344 4.078 1.00 0.00 H new ATOM 0 HH TYR A 56 8.558 -1.670 5.558 1.00 0.00 H new ATOM 824 N LEU A 57 5.833 -7.211 1.214 1.00 0.00 N ATOM 825 CA LEU A 57 4.548 -7.504 1.824 1.00 0.00 C ATOM 826 C LEU A 57 4.619 -8.855 2.514 1.00 0.00 C ATOM 827 O LEU A 57 4.083 -9.038 3.607 1.00 0.00 O ATOM 828 CB LEU A 57 3.413 -7.495 0.791 1.00 0.00 C ATOM 829 CG LEU A 57 3.838 -7.213 -0.643 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.695 -7.497 -1.606 1.00 0.00 C ATOM 831 CD2 LEU A 57 4.308 -5.772 -0.787 1.00 0.00 C ATOM 0 H LEU A 57 5.792 -6.989 0.219 1.00 0.00 H new ATOM 0 HA LEU A 57 4.329 -6.725 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.911 -8.462 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.679 -6.746 1.089 1.00 0.00 H new ATOM 0 HG LEU A 57 4.669 -7.874 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.018 -7.289 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.402 -8.544 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.845 -6.862 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.608 -5.588 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.496 -5.096 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.157 -5.598 -0.126 1.00 0.00 H new ATOM 843 N ASN A 58 5.303 -9.802 1.876 1.00 0.00 N ATOM 844 CA ASN A 58 5.460 -11.124 2.455 1.00 0.00 C ATOM 845 C ASN A 58 6.297 -11.038 3.726 1.00 0.00 C ATOM 846 O ASN A 58 6.118 -11.822 4.660 1.00 0.00 O ATOM 847 CB ASN A 58 6.112 -12.089 1.465 1.00 0.00 C ATOM 848 CG ASN A 58 6.416 -13.439 2.084 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.708 -13.897 2.981 1.00 0.00 O ATOM 850 ND2 ASN A 58 7.476 -14.084 1.610 1.00 0.00 N ATOM 0 H ASN A 58 5.751 -9.676 0.968 1.00 0.00 H new ATOM 0 HA ASN A 58 4.469 -11.507 2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.452 -12.226 0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.036 -11.649 1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.730 -14.996 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.035 -13.668 0.866 1.00 0.00 H new ATOM 857 N THR A 59 7.220 -10.078 3.743 1.00 0.00 N ATOM 858 CA THR A 59 8.102 -9.878 4.886 1.00 0.00 C ATOM 859 C THR A 59 7.354 -9.244 6.049 1.00 0.00 C ATOM 860 O THR A 59 7.728 -9.422 7.208 1.00 0.00 O ATOM 861 CB THR A 59 9.293 -9.002 4.492 1.00 0.00 C ATOM 862 OG1 THR A 59 9.881 -9.467 3.289 1.00 0.00 O ATOM 863 CG2 THR A 59 10.378 -8.962 5.546 1.00 0.00 C ATOM 0 H THR A 59 7.375 -9.426 2.974 1.00 0.00 H new ATOM 0 HA THR A 59 8.467 -10.855 5.204 1.00 0.00 H new ATOM 0 HB THR A 59 8.887 -7.998 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.321 -9.206 2.529 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.193 -8.324 5.205 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.969 -8.563 6.474 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.754 -9.970 5.719 1.00 0.00 H new ATOM 871 N LEU A 60 6.297 -8.501 5.730 1.00 0.00 N ATOM 872 CA LEU A 60 5.491 -7.834 6.750 1.00 0.00 C ATOM 873 C LEU A 60 5.403 -8.674 8.026 1.00 0.00 C ATOM 874 O LEU A 60 5.054 -9.855 7.981 1.00 0.00 O ATOM 875 CB LEU A 60 4.086 -7.564 6.216 1.00 0.00 C ATOM 876 CG LEU A 60 4.030 -6.714 4.950 1.00 0.00 C ATOM 877 CD1 LEU A 60 2.653 -6.800 4.308 1.00 0.00 C ATOM 878 CD2 LEU A 60 4.379 -5.270 5.270 1.00 0.00 C ATOM 0 H LEU A 60 5.978 -8.345 4.774 1.00 0.00 H new ATOM 0 HA LEU A 60 5.977 -6.889 6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.600 -8.519 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.507 -7.068 6.995 1.00 0.00 H new ATOM 0 HG LEU A 60 4.762 -7.100 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.633 -6.187 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.437 -7.836 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.901 -6.438 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.335 -4.674 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.667 -4.876 5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.385 -5.223 5.686 1.00 0.00 H new ATOM 890 N PRO A 61 5.732 -8.075 9.184 1.00 0.00 N ATOM 891 CA PRO A 61 5.705 -8.768 10.479 1.00 0.00 C ATOM 892 C PRO A 61 4.364 -9.438 10.767 1.00 0.00 C ATOM 893 O PRO A 61 3.476 -9.473 9.916 1.00 0.00 O ATOM 894 CB PRO A 61 5.968 -7.650 11.488 1.00 0.00 C ATOM 895 CG PRO A 61 6.709 -6.612 10.719 1.00 0.00 C ATOM 896 CD PRO A 61 6.170 -6.673 9.318 1.00 0.00 C ATOM 0 HA PRO A 61 6.434 -9.578 10.514 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.036 -7.254 11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.554 -8.010 12.334 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.559 -5.623 11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.781 -6.807 10.734 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.343 -5.978 9.175 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.932 -6.418 8.582 1.00 0.00 H new ATOM 904 N GLU A 62 4.236 -9.971 11.981 1.00 0.00 N ATOM 905 CA GLU A 62 3.023 -10.645 12.413 1.00 0.00 C ATOM 906 C GLU A 62 1.799 -9.774 12.229 1.00 0.00 C ATOM 907 O GLU A 62 1.841 -8.765 11.533 1.00 0.00 O ATOM 908 CB GLU A 62 3.168 -11.052 13.877 1.00 0.00 C ATOM 909 CG GLU A 62 3.688 -12.464 14.060 1.00 0.00 C ATOM 910 CD GLU A 62 5.079 -12.651 13.489 1.00 0.00 C ATOM 911 OE1 GLU A 62 5.771 -11.634 13.265 1.00 0.00 O ATOM 912 OE2 GLU A 62 5.480 -13.813 13.269 1.00 0.00 O ATOM 0 H GLU A 62 4.971 -9.945 12.688 1.00 0.00 H new ATOM 0 HA GLU A 62 2.884 -11.531 11.793 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.844 -10.356 14.375 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.199 -10.963 14.369 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.699 -12.708 15.122 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.005 -13.164 13.579 1.00 0.00 H new ATOM 919 N ASN A 63 0.705 -10.202 12.841 1.00 0.00 N ATOM 920 CA ASN A 63 -0.561 -9.516 12.754 1.00 0.00 C ATOM 921 C ASN A 63 -0.394 -7.997 12.778 1.00 0.00 C ATOM 922 O ASN A 63 -0.739 -7.339 13.760 1.00 0.00 O ATOM 923 CB ASN A 63 -1.474 -9.952 13.899 1.00 0.00 C ATOM 924 CG ASN A 63 -2.917 -10.103 13.462 1.00 0.00 C ATOM 925 OD1 ASN A 63 -3.504 -9.183 12.891 1.00 0.00 O ATOM 926 ND2 ASN A 63 -3.499 -11.265 13.731 1.00 0.00 N ATOM 0 H ASN A 63 0.678 -11.044 13.416 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.012 -9.786 11.799 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.118 -10.900 14.303 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.416 -9.220 14.705 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.470 -11.423 13.463 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.975 -12.000 14.206 1.00 0.00 H new ATOM 933 N THR A 64 0.124 -7.451 11.688 1.00 0.00 N ATOM 934 CA THR A 64 0.328 -6.008 11.574 1.00 0.00 C ATOM 935 C THR A 64 -0.590 -5.420 10.515 1.00 0.00 C ATOM 936 O THR A 64 -1.242 -6.150 9.773 1.00 0.00 O ATOM 937 CB THR A 64 1.787 -5.682 11.239 1.00 0.00 C ATOM 938 OG1 THR A 64 2.390 -6.740 10.514 1.00 0.00 O ATOM 939 CG2 THR A 64 2.636 -5.417 12.464 1.00 0.00 C ATOM 0 H THR A 64 0.412 -7.983 10.867 1.00 0.00 H new ATOM 0 HA THR A 64 0.087 -5.562 12.539 1.00 0.00 H new ATOM 0 HB THR A 64 1.748 -4.772 10.640 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.561 -7.494 11.117 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.658 -5.193 12.157 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.227 -4.569 13.013 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.635 -6.299 13.105 1.00 0.00 H new ATOM 947 N THR A 65 -0.648 -4.099 10.464 1.00 0.00 N ATOM 948 CA THR A 65 -1.504 -3.419 9.504 1.00 0.00 C ATOM 949 C THR A 65 -0.726 -2.413 8.666 1.00 0.00 C ATOM 950 O THR A 65 -0.859 -1.203 8.849 1.00 0.00 O ATOM 951 CB THR A 65 -2.627 -2.697 10.231 1.00 0.00 C ATOM 952 OG1 THR A 65 -2.946 -3.352 11.445 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.897 -2.582 9.417 1.00 0.00 C ATOM 0 H THR A 65 -0.115 -3.478 11.073 1.00 0.00 H new ATOM 0 HA THR A 65 -1.913 -4.177 8.837 1.00 0.00 H new ATOM 0 HB THR A 65 -2.247 -1.692 10.416 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.670 -2.869 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.655 -2.056 9.998 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.693 -2.028 8.501 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.259 -3.579 9.165 1.00 0.00 H new ATOM 961 N LYS A 66 0.066 -2.918 7.736 1.00 0.00 N ATOM 962 CA LYS A 66 0.846 -2.072 6.853 1.00 0.00 C ATOM 963 C LYS A 66 0.019 -0.895 6.366 1.00 0.00 C ATOM 964 O LYS A 66 -1.203 -0.911 6.451 1.00 0.00 O ATOM 965 CB LYS A 66 1.331 -2.891 5.659 1.00 0.00 C ATOM 966 CG LYS A 66 2.536 -2.299 4.962 1.00 0.00 C ATOM 967 CD LYS A 66 3.818 -2.358 5.798 1.00 0.00 C ATOM 968 CE LYS A 66 3.644 -2.981 7.182 1.00 0.00 C ATOM 969 NZ LYS A 66 3.700 -1.959 8.263 1.00 0.00 N ATOM 0 H LYS A 66 0.185 -3.918 7.573 1.00 0.00 H new ATOM 0 HA LYS A 66 1.702 -1.686 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.576 -3.898 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.517 -2.985 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.699 -2.829 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.325 -1.260 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.569 -2.927 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.207 -1.347 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.689 -3.505 7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.423 -3.725 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.046 -2.225 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.668 -1.905 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.426 -1.032 7.879 1.00 0.00 H new ATOM 983 N THR A 67 0.688 0.129 5.872 1.00 0.00 N ATOM 984 CA THR A 67 0.002 1.307 5.390 1.00 0.00 C ATOM 985 C THR A 67 0.669 1.860 4.137 1.00 0.00 C ATOM 986 O THR A 67 1.790 2.364 4.185 1.00 0.00 O ATOM 987 CB THR A 67 -0.008 2.361 6.483 1.00 0.00 C ATOM 988 OG1 THR A 67 -0.400 1.794 7.720 1.00 0.00 O ATOM 989 CG2 THR A 67 -0.932 3.524 6.196 1.00 0.00 C ATOM 0 H THR A 67 1.704 0.167 5.795 1.00 0.00 H new ATOM 0 HA THR A 67 -1.020 1.033 5.130 1.00 0.00 H new ATOM 0 HB THR A 67 1.014 2.739 6.525 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.399 2.487 8.413 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.887 4.236 7.020 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.623 4.016 5.274 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.953 3.159 6.088 1.00 0.00 H new ATOM 997 N LEU A 68 -0.031 1.768 3.018 1.00 0.00 N ATOM 998 CA LEU A 68 0.469 2.268 1.749 1.00 0.00 C ATOM 999 C LEU A 68 0.098 3.737 1.578 1.00 0.00 C ATOM 1000 O LEU A 68 -0.802 4.070 0.812 1.00 0.00 O ATOM 1001 CB LEU A 68 -0.104 1.450 0.591 1.00 0.00 C ATOM 1002 CG LEU A 68 0.888 0.549 -0.133 1.00 0.00 C ATOM 1003 CD1 LEU A 68 0.966 -0.811 0.528 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.499 0.406 -1.595 1.00 0.00 C ATOM 0 H LEU A 68 -0.958 1.346 2.964 1.00 0.00 H new ATOM 0 HA LEU A 68 1.555 2.173 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.916 0.832 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.540 2.137 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 68 1.874 1.011 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.681 -1.435 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.289 -0.695 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.016 -1.283 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.216 -0.240 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.497 -0.032 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.498 1.388 -2.069 1.00 0.00 H new ATOM 1016 N THR A 69 0.784 4.612 2.309 1.00 0.00 N ATOM 1017 CA THR A 69 0.504 6.042 2.244 1.00 0.00 C ATOM 1018 C THR A 69 1.417 6.741 1.243 1.00 0.00 C ATOM 1019 O THR A 69 2.524 7.159 1.582 1.00 0.00 O ATOM 1020 CB THR A 69 0.667 6.683 3.625 1.00 0.00 C ATOM 1021 OG1 THR A 69 -0.348 6.246 4.505 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.628 8.197 3.603 1.00 0.00 C ATOM 0 H THR A 69 1.535 4.356 2.951 1.00 0.00 H new ATOM 0 HA THR A 69 -0.527 6.161 1.911 1.00 0.00 H new ATOM 0 HB THR A 69 1.653 6.368 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.224 6.666 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.750 8.579 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.435 8.573 2.974 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.329 8.531 3.202 1.00 0.00 H new ATOM 1030 N PHE A 70 0.937 6.888 0.013 1.00 0.00 N ATOM 1031 CA PHE A 70 1.699 7.558 -1.021 1.00 0.00 C ATOM 1032 C PHE A 70 1.765 9.053 -0.732 1.00 0.00 C ATOM 1033 O PHE A 70 0.755 9.750 -0.826 1.00 0.00 O ATOM 1034 CB PHE A 70 1.032 7.338 -2.382 1.00 0.00 C ATOM 1035 CG PHE A 70 0.649 5.911 -2.672 1.00 0.00 C ATOM 1036 CD1 PHE A 70 1.618 4.963 -2.955 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -0.677 5.525 -2.684 1.00 0.00 C ATOM 1038 CE1 PHE A 70 1.267 3.659 -3.247 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -1.034 4.221 -2.969 1.00 0.00 C ATOM 1040 CZ PHE A 70 -0.056 3.289 -3.253 1.00 0.00 C ATOM 0 H PHE A 70 0.023 6.550 -0.287 1.00 0.00 H new ATOM 0 HA PHE A 70 2.708 7.146 -1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.137 7.958 -2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.709 7.684 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.660 5.246 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.445 6.252 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.033 2.931 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.075 3.932 -2.970 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.331 2.269 -3.480 1.00 0.00 H new ATOM 1050 N ASP A 71 2.945 9.553 -0.384 1.00 0.00 N ATOM 1051 CA ASP A 71 3.094 10.963 -0.090 1.00 0.00 C ATOM 1052 C ASP A 71 2.907 11.785 -1.354 1.00 0.00 C ATOM 1053 O ASP A 71 3.838 11.986 -2.137 1.00 0.00 O ATOM 1054 CB ASP A 71 4.465 11.256 0.525 1.00 0.00 C ATOM 1055 CG ASP A 71 5.356 10.035 0.647 1.00 0.00 C ATOM 1056 OD1 ASP A 71 5.085 9.188 1.525 1.00 0.00 O ATOM 1057 OD2 ASP A 71 6.324 9.925 -0.130 1.00 0.00 O ATOM 0 H ASP A 71 3.801 9.005 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 71 2.328 11.239 0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.973 12.005 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.323 11.691 1.514 1.00 0.00 H new ATOM 1062 N PHE A 72 1.676 12.247 -1.542 1.00 0.00 N ATOM 1063 CA PHE A 72 1.309 13.047 -2.701 1.00 0.00 C ATOM 1064 C PHE A 72 1.390 14.535 -2.378 1.00 0.00 C ATOM 1065 O PHE A 72 0.783 15.358 -3.058 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.110 12.693 -3.137 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.187 11.950 -4.437 1.00 0.00 C ATOM 1068 CD1 PHE A 72 0.403 10.710 -4.580 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.858 12.497 -5.514 1.00 0.00 C ATOM 1070 CE1 PHE A 72 0.328 10.028 -5.777 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -0.938 11.821 -6.714 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.340 10.586 -6.847 1.00 0.00 C ATOM 0 H PHE A 72 0.906 12.077 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 72 2.007 12.830 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.577 12.090 -2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.692 13.611 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.929 10.269 -3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.326 13.466 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.792 9.058 -5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.468 12.258 -7.547 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.394 10.057 -7.787 1.00 0.00 H new ATOM 1082 N GLY A 73 2.121 14.875 -1.321 1.00 0.00 N ATOM 1083 CA GLY A 73 2.242 16.262 -0.927 1.00 0.00 C ATOM 1084 C GLY A 73 0.968 16.786 -0.291 1.00 0.00 C ATOM 1085 O GLY A 73 0.920 17.928 0.167 1.00 0.00 O ATOM 0 H GLY A 73 2.630 14.215 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.068 16.368 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.487 16.867 -1.800 1.00 0.00 H new ATOM 1089 N VAL A 74 -0.060 15.948 -0.265 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.338 16.320 0.316 1.00 0.00 C ATOM 1091 C VAL A 74 -1.765 15.296 1.361 1.00 0.00 C ATOM 1092 O VAL A 74 -2.908 14.844 1.371 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.438 16.431 -0.751 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.179 17.624 -1.660 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.531 15.146 -1.558 1.00 0.00 C ATOM 0 H VAL A 74 -0.030 15.001 -0.643 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.206 17.296 0.782 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.393 16.586 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.967 17.688 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.168 18.538 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.216 17.501 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.315 15.244 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.578 14.957 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.767 14.315 -0.893 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.822 14.930 2.227 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.088 13.954 3.274 1.00 0.00 C ATOM 1107 C GLY A 75 -2.504 14.012 3.810 1.00 0.00 C ATOM 1108 O GLY A 75 -3.068 12.991 4.204 1.00 0.00 O ATOM 0 H GLY A 75 0.130 15.295 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.896 12.954 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.390 14.115 4.096 1.00 0.00 H new ATOM 1112 N THR A 76 -3.082 15.202 3.822 1.00 0.00 N ATOM 1113 CA THR A 76 -4.445 15.388 4.309 1.00 0.00 C ATOM 1114 C THR A 76 -5.372 14.335 3.711 1.00 0.00 C ATOM 1115 O THR A 76 -5.895 13.475 4.420 1.00 0.00 O ATOM 1116 CB THR A 76 -4.951 16.789 3.959 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.114 17.779 4.530 1.00 0.00 O ATOM 1118 CG2 THR A 76 -6.363 17.052 4.432 1.00 0.00 C ATOM 0 H THR A 76 -2.630 16.058 3.500 1.00 0.00 H new ATOM 0 HA THR A 76 -4.440 15.277 5.393 1.00 0.00 H new ATOM 0 HB THR A 76 -4.937 16.838 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.452 18.668 4.294 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.658 18.063 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.041 16.334 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.409 16.949 5.516 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.560 14.405 2.398 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.406 13.459 1.693 1.00 0.00 C ATOM 1128 C LYS A 77 -5.553 12.443 0.940 1.00 0.00 C ATOM 1129 O LYS A 77 -5.988 11.860 -0.049 1.00 0.00 O ATOM 1130 CB LYS A 77 -7.334 14.189 0.721 1.00 0.00 C ATOM 1131 CG LYS A 77 -6.595 14.984 -0.338 1.00 0.00 C ATOM 1132 CD LYS A 77 -7.194 16.369 -0.512 1.00 0.00 C ATOM 1133 CE LYS A 77 -7.014 17.215 0.733 1.00 0.00 C ATOM 1134 NZ LYS A 77 -8.321 17.557 1.361 1.00 0.00 N ATOM 0 H LYS A 77 -5.133 15.113 1.800 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.016 12.931 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.981 13.461 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.981 14.862 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.545 15.073 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.630 14.449 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.724 16.865 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.256 16.281 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.395 16.678 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.483 18.132 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.186 17.712 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.699 18.423 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.991 16.775 1.216 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.330 12.246 1.424 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.394 11.314 0.806 1.00 0.00 C ATOM 1150 C ASN A 78 -4.017 9.930 0.632 1.00 0.00 C ATOM 1151 O ASN A 78 -4.736 9.443 1.505 1.00 0.00 O ATOM 1152 CB ASN A 78 -2.118 11.223 1.657 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.632 9.799 1.842 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -2.286 8.988 2.500 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -0.480 9.487 1.266 1.00 0.00 N ATOM 0 H ASN A 78 -3.963 12.723 2.248 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.142 11.689 -0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.331 11.812 1.186 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.307 11.667 2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.102 8.544 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.029 10.190 0.730 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.733 9.274 -0.499 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.252 7.938 -0.791 1.00 0.00 C ATOM 1164 C PRO A 79 -3.480 6.846 -0.061 1.00 0.00 C ATOM 1165 O PRO A 79 -2.465 6.350 -0.551 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.051 7.813 -2.299 1.00 0.00 C ATOM 1167 CG PRO A 79 -2.857 8.658 -2.592 1.00 0.00 C ATOM 1168 CD PRO A 79 -2.875 9.784 -1.586 1.00 0.00 C ATOM 0 HA PRO A 79 -5.286 7.818 -0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.884 6.776 -2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.927 8.162 -2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.939 8.076 -2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.896 9.046 -3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.872 10.016 -1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.279 10.700 -2.018 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.958 6.485 1.122 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.313 5.457 1.921 1.00 0.00 C ATOM 1178 C LYS A 80 -3.959 4.096 1.689 1.00 0.00 C ATOM 1179 O LYS A 80 -5.161 4.001 1.441 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.374 5.823 3.405 1.00 0.00 C ATOM 1181 CG LYS A 80 -4.661 5.404 4.100 1.00 0.00 C ATOM 1182 CD LYS A 80 -5.882 6.051 3.471 1.00 0.00 C ATOM 1183 CE LYS A 80 -5.827 7.568 3.580 1.00 0.00 C ATOM 1184 NZ LYS A 80 -6.905 8.099 4.457 1.00 0.00 N ATOM 0 H LYS A 80 -4.791 6.890 1.548 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.269 5.395 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.531 5.359 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.254 6.902 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.761 4.320 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.609 5.676 5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.948 5.763 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.783 5.682 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.856 7.869 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.917 8.007 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.834 9.135 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.832 7.834 4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.804 7.700 5.412 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.152 3.046 1.775 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.641 1.689 1.581 1.00 0.00 C ATOM 1200 C LEU A 81 -3.189 0.774 2.713 1.00 0.00 C ATOM 1201 O LEU A 81 -2.132 0.147 2.638 1.00 0.00 O ATOM 1202 CB LEU A 81 -3.168 1.139 0.237 1.00 0.00 C ATOM 1203 CG LEU A 81 -4.274 0.961 -0.799 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.700 0.436 -2.103 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -5.351 0.026 -0.269 1.00 0.00 C ATOM 0 H LEU A 81 -2.154 3.109 1.978 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.731 1.721 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.411 1.810 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.685 0.176 0.403 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.729 1.932 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.502 0.315 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.965 1.143 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.220 -0.527 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.133 -0.091 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.912 -0.947 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.781 0.445 0.641 1.00 0.00 H new ATOM 1217 N THR A 82 -3.991 0.711 3.768 1.00 0.00 N ATOM 1218 CA THR A 82 -3.672 -0.109 4.931 1.00 0.00 C ATOM 1219 C THR A 82 -3.776 -1.601 4.619 1.00 0.00 C ATOM 1220 O THR A 82 -4.841 -2.097 4.247 1.00 0.00 O ATOM 1221 CB THR A 82 -4.601 0.236 6.095 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.632 1.637 6.305 1.00 0.00 O ATOM 1223 CG2 THR A 82 -4.198 -0.410 7.399 1.00 0.00 C ATOM 0 H THR A 82 -4.872 1.220 3.843 1.00 0.00 H new ATOM 0 HA THR A 82 -2.640 0.108 5.208 1.00 0.00 H new ATOM 0 HB THR A 82 -5.580 -0.149 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.232 1.843 7.052 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.901 -0.122 8.180 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.206 -1.494 7.286 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.196 -0.081 7.673 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.666 -2.312 4.796 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.623 -3.750 4.556 1.00 0.00 C ATOM 1233 C ILE A 83 -2.558 -4.509 5.880 1.00 0.00 C ATOM 1234 O ILE A 83 -1.586 -4.389 6.631 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.417 -4.143 3.662 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.909 -4.668 2.314 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -0.537 -5.193 4.334 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -2.216 -3.574 1.318 1.00 0.00 C ATOM 0 H ILE A 83 -1.780 -1.913 5.106 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.537 -4.023 4.029 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.816 -3.247 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.153 -5.330 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.806 -5.267 2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.297 -5.443 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.153 -4.798 5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.125 -6.089 4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.560 -4.018 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.994 -2.925 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.316 -2.989 1.131 1.00 0.00 H new ATOM 1250 N THR A 84 -3.594 -5.289 6.163 1.00 0.00 N ATOM 1251 CA THR A 84 -3.646 -6.067 7.392 1.00 0.00 C ATOM 1252 C THR A 84 -2.895 -7.382 7.219 1.00 0.00 C ATOM 1253 O THR A 84 -3.443 -8.359 6.716 1.00 0.00 O ATOM 1254 CB THR A 84 -5.096 -6.341 7.789 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.761 -5.135 8.121 1.00 0.00 O ATOM 1256 CG2 THR A 84 -5.227 -7.277 8.971 1.00 0.00 C ATOM 0 H THR A 84 -4.408 -5.399 5.558 1.00 0.00 H new ATOM 0 HA THR A 84 -3.169 -5.491 8.185 1.00 0.00 H new ATOM 0 HB THR A 84 -5.549 -6.816 6.919 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.688 -5.331 8.371 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.282 -7.429 9.200 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.767 -8.235 8.729 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.727 -6.842 9.836 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.631 -7.396 7.634 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.814 -8.595 7.515 1.00 0.00 C ATOM 1266 C VAL A 85 -1.088 -9.551 8.663 1.00 0.00 C ATOM 1267 O VAL A 85 -0.805 -9.250 9.823 1.00 0.00 O ATOM 1268 CB VAL A 85 0.690 -8.269 7.462 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.012 -7.035 8.291 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.521 -9.459 7.920 1.00 0.00 C ATOM 0 H VAL A 85 -1.155 -6.596 8.052 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.090 -9.071 6.574 1.00 0.00 H new ATOM 0 HB VAL A 85 0.948 -8.054 6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.081 -6.828 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.456 -6.181 7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.730 -7.210 9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.580 -9.203 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.255 -9.716 8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.325 -10.312 7.270 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.637 -10.706 8.320 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.957 -11.729 9.311 1.00 0.00 C ATOM 1282 C LEU A 86 -0.742 -12.604 9.602 1.00 0.00 C ATOM 1283 O LEU A 86 0.146 -12.743 8.766 1.00 0.00 O ATOM 1284 CB LEU A 86 -3.121 -12.595 8.823 1.00 0.00 C ATOM 1285 CG LEU A 86 -4.167 -11.863 7.980 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -5.214 -12.837 7.464 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.821 -10.756 8.793 1.00 0.00 C ATOM 0 H LEU A 86 -1.872 -10.961 7.361 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.249 -11.227 10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.718 -13.421 8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.617 -13.032 9.690 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.667 -11.413 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.949 -12.298 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.732 -13.596 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.712 -13.316 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.563 -10.244 8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.308 -11.186 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.061 -10.043 9.114 1.00 0.00 H new