USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 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 26 THR OG1 : rot -118:sc= 1.01 USER MOD Set 1.2: A 29 SER OG : rot 130:sc= 0.602! USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.158 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0244 (180deg=-0.343) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0.0798 (180deg=-0.275!) USER MOD Single : A 10 SER OG : rot 136:sc= -0.644 USER MOD Single : A 14 LYS NZ :NH3+ -142:sc= -1.46 (180deg=-4.69!) USER MOD Single : A 16 LYS NZ :NH3+ -139:sc=-0.00144 (180deg=-0.118) USER MOD Single : A 41 THR OG1 : rot 30:sc= 0.259 USER MOD Single : A 46 MET CE :methyl 169:sc= 0 (180deg=-0.0518) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.44! C(o=-2!,f=0.44!) USER MOD Single : A 55 ASN : amide:sc= -0.892 K(o=-0.89,f=-1.5) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= -9.09! (180deg=-10.7!) USER MOD Single : A 62 GLN : amide:sc= -2.24! X(o=-2.2!,f=-2.2) USER MOD Single : A 65 SER OG : rot 160:sc= -2.74 USER MOD Single : A 66 THR OG1 : rot -113:sc= 0.545! USER MOD Single : A 68 GLN :FLIP amide:sc= -2.07! C(o=-5.4!,f=-2.1!) USER MOD Single : A 69 GLN : amide:sc= -0.838 K(o=-0.84,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.522 -4.045 6.785 1.00 1.00 N ATOM 2 CA ALA A 1 -9.711 -4.157 5.311 1.00 1.00 C ATOM 3 C ALA A 1 -9.934 -5.621 4.940 1.00 1.00 C ATOM 4 O ALA A 1 -9.857 -6.505 5.791 1.00 1.00 O ATOM 5 CB ALA A 1 -8.469 -3.617 4.598 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.308 -3.502 7.196 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.501 -4.996 7.206 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.624 -3.559 6.984 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.580 -3.575 5.004 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.605 -3.698 3.519 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.320 -2.571 4.868 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.596 -4.197 4.898 1.00 1.00 H new ATOM 13 N LYS A 2 -10.208 -5.867 3.664 1.00 1.00 N ATOM 14 CA LYS A 2 -10.442 -7.224 3.186 1.00 1.00 C ATOM 15 C LYS A 2 -9.119 -7.918 2.880 1.00 1.00 C ATOM 16 O LYS A 2 -8.143 -7.275 2.505 1.00 1.00 O ATOM 17 CB LYS A 2 -11.309 -7.194 1.928 1.00 1.00 C ATOM 18 CG LYS A 2 -12.700 -6.663 2.280 1.00 1.00 C ATOM 19 CD LYS A 2 -13.550 -6.578 1.011 1.00 1.00 C ATOM 20 CE LYS A 2 -14.914 -5.973 1.348 1.00 1.00 C ATOM 21 NZ LYS A 2 -15.664 -6.902 2.238 1.00 1.00 N ATOM 0 H LYS A 2 -10.273 -5.147 2.944 1.00 1.00 H new ATOM 0 HA LYS A 2 -10.959 -7.780 3.968 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -10.847 -6.561 1.170 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.387 -8.195 1.503 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.178 -7.319 3.007 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -12.619 -5.679 2.743 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.045 -5.967 0.263 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.678 -7.571 0.579 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -14.784 -5.008 1.838 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.479 -5.793 0.434 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -16.672 -6.646 2.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.554 -7.877 1.894 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -15.291 -6.832 3.206 1.00 1.00 H new ATOM 35 N LYS A 3 -9.096 -9.234 3.043 1.00 1.00 N ATOM 36 CA LYS A 3 -7.885 -10.003 2.788 1.00 1.00 C ATOM 37 C LYS A 3 -7.442 -9.848 1.340 1.00 1.00 C ATOM 38 O LYS A 3 -6.250 -9.727 1.057 1.00 1.00 O ATOM 39 CB LYS A 3 -8.143 -11.482 3.084 1.00 1.00 C ATOM 40 CG LYS A 3 -8.350 -11.677 4.589 1.00 1.00 C ATOM 41 CD LYS A 3 -8.958 -13.059 4.848 1.00 1.00 C ATOM 42 CE LYS A 3 -8.132 -14.127 4.126 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.444 -15.465 4.694 1.00 1.00 N ATOM 0 H LYS A 3 -9.896 -9.788 3.348 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.095 -9.627 3.438 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.022 -11.824 2.539 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.301 -12.084 2.742 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -7.399 -11.583 5.113 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.007 -10.900 4.980 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.979 -13.263 5.918 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -9.990 -13.085 4.498 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -8.353 -14.113 3.059 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -7.069 -13.914 4.234 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -7.883 -16.190 4.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.212 -15.475 5.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -9.456 -15.668 4.569 1.00 1.00 H new ATOM 57 N GLU A 4 -8.406 -9.854 0.425 1.00 1.00 N ATOM 58 CA GLU A 4 -8.096 -9.720 -0.994 1.00 1.00 C ATOM 59 C GLU A 4 -7.350 -8.420 -1.265 1.00 1.00 C ATOM 60 O GLU A 4 -6.349 -8.407 -1.978 1.00 1.00 O ATOM 61 CB GLU A 4 -9.393 -9.754 -1.810 1.00 1.00 C ATOM 62 CG GLU A 4 -10.198 -8.481 -1.541 1.00 1.00 C ATOM 63 CD GLU A 4 -11.630 -8.655 -2.027 1.00 1.00 C ATOM 64 OE1 GLU A 4 -11.821 -9.346 -3.015 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.517 -8.100 -1.401 1.00 1.00 O ATOM 0 H GLU A 4 -9.399 -9.949 0.637 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.456 -10.552 -1.289 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.165 -9.835 -2.873 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -9.981 -10.632 -1.542 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.193 -8.257 -0.474 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -9.734 -7.634 -2.047 1.00 1.00 H new ATOM 72 N THR A 5 -7.848 -7.330 -0.695 1.00 1.00 N ATOM 73 CA THR A 5 -7.226 -6.027 -0.878 1.00 1.00 C ATOM 74 C THR A 5 -5.862 -5.986 -0.190 1.00 1.00 C ATOM 75 O THR A 5 -4.902 -5.433 -0.718 1.00 1.00 O ATOM 76 CB THR A 5 -8.121 -4.929 -0.305 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.468 -5.185 -0.676 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.690 -3.573 -0.879 1.00 1.00 C ATOM 0 H THR A 5 -8.679 -7.323 -0.104 1.00 1.00 H new ATOM 0 HA THR A 5 -7.091 -5.859 -1.946 1.00 1.00 H new ATOM 0 HB THR A 5 -8.033 -4.913 0.781 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.047 -4.484 -0.310 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.326 -2.787 -0.472 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.653 -3.376 -0.608 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.784 -3.591 -1.965 1.00 1.00 H new ATOM 86 N ILE A 6 -5.790 -6.576 1.001 1.00 1.00 N ATOM 87 CA ILE A 6 -4.545 -6.598 1.757 1.00 1.00 C ATOM 88 C ILE A 6 -3.465 -7.348 0.981 1.00 1.00 C ATOM 89 O ILE A 6 -2.325 -6.890 0.897 1.00 1.00 O ATOM 90 CB ILE A 6 -4.768 -7.275 3.113 1.00 1.00 C ATOM 91 CG1 ILE A 6 -5.620 -6.368 4.004 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.421 -7.541 3.787 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.071 -7.145 5.243 1.00 1.00 C ATOM 0 H ILE A 6 -6.574 -7.041 1.459 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.217 -5.571 1.916 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.285 -8.223 2.961 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.046 -5.490 4.301 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.488 -6.009 3.451 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -3.585 -8.023 4.751 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -2.820 -8.193 3.153 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -2.897 -6.597 3.938 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -6.678 -6.498 5.877 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -6.661 -8.009 4.936 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.196 -7.482 5.800 1.00 1.00 H new ATOM 105 N ASP A 7 -3.828 -8.495 0.428 1.00 1.00 N ATOM 106 CA ASP A 7 -2.880 -9.296 -0.336 1.00 1.00 C ATOM 107 C ASP A 7 -2.416 -8.526 -1.572 1.00 1.00 C ATOM 108 O ASP A 7 -1.263 -8.643 -1.989 1.00 1.00 O ATOM 109 CB ASP A 7 -3.538 -10.611 -0.767 1.00 1.00 C ATOM 110 CG ASP A 7 -3.461 -11.627 0.368 1.00 1.00 C ATOM 111 OD1 ASP A 7 -2.837 -11.322 1.372 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.031 -12.692 0.220 1.00 1.00 O ATOM 0 H ASP A 7 -4.766 -8.891 0.492 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.017 -9.513 0.293 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.579 -10.435 -1.039 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.039 -11.004 -1.653 1.00 1.00 H new ATOM 117 N LYS A 8 -3.320 -7.746 -2.153 1.00 1.00 N ATOM 118 CA LYS A 8 -2.984 -6.963 -3.334 1.00 1.00 C ATOM 119 C LYS A 8 -1.992 -5.858 -2.988 1.00 1.00 C ATOM 120 O LYS A 8 -0.991 -5.677 -3.676 1.00 1.00 O ATOM 121 CB LYS A 8 -4.256 -6.339 -3.920 1.00 1.00 C ATOM 122 CG LYS A 8 -5.052 -7.410 -4.675 1.00 1.00 C ATOM 123 CD LYS A 8 -4.519 -7.531 -6.110 1.00 1.00 C ATOM 124 CE LYS A 8 -5.218 -6.502 -7.002 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.766 -6.677 -8.407 1.00 1.00 N ATOM 0 H LYS A 8 -4.281 -7.640 -1.829 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.526 -7.627 -4.067 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.865 -5.913 -3.123 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -3.996 -5.522 -4.593 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -4.968 -8.369 -4.163 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.110 -7.148 -4.690 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.441 -7.368 -6.124 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.694 -8.537 -6.491 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.299 -6.624 -6.939 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.991 -5.493 -6.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.147 -5.907 -8.993 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.727 -6.658 -8.442 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.108 -7.590 -8.771 1.00 1.00 H new ATOM 139 N VAL A 9 -2.284 -5.124 -1.919 1.00 1.00 N ATOM 140 CA VAL A 9 -1.412 -4.032 -1.500 1.00 1.00 C ATOM 141 C VAL A 9 -0.017 -4.550 -1.181 1.00 1.00 C ATOM 142 O VAL A 9 0.980 -3.993 -1.641 1.00 1.00 O ATOM 143 CB VAL A 9 -2.003 -3.343 -0.267 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.015 -2.298 0.259 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.319 -2.658 -0.640 1.00 1.00 C ATOM 0 H VAL A 9 -3.107 -5.263 -1.333 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.337 -3.315 -2.317 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.190 -4.088 0.506 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.437 -1.808 1.137 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.079 -2.786 0.530 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.825 -1.555 -0.515 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.737 -2.169 0.240 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.135 -1.915 -1.416 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.024 -3.402 -1.010 1.00 1.00 H new ATOM 155 N SER A 10 0.047 -5.612 -0.392 1.00 1.00 N ATOM 156 CA SER A 10 1.330 -6.196 -0.022 1.00 1.00 C ATOM 157 C SER A 10 2.069 -6.695 -1.262 1.00 1.00 C ATOM 158 O SER A 10 3.269 -6.481 -1.403 1.00 1.00 O ATOM 159 CB SER A 10 1.109 -7.364 0.945 1.00 1.00 C ATOM 160 OG SER A 10 2.320 -7.632 1.643 1.00 1.00 O ATOM 0 H SER A 10 -0.766 -6.085 0.002 1.00 1.00 H new ATOM 0 HA SER A 10 1.933 -5.428 0.463 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.315 -7.121 1.651 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.788 -8.250 0.396 1.00 1.00 H new ATOM 0 HG SER A 10 2.126 -7.772 2.593 1.00 1.00 H new ATOM 166 N ASP A 11 1.338 -7.352 -2.156 1.00 1.00 N ATOM 167 CA ASP A 11 1.937 -7.889 -3.375 1.00 1.00 C ATOM 168 C ASP A 11 2.801 -6.835 -4.053 1.00 1.00 C ATOM 169 O ASP A 11 3.919 -7.121 -4.482 1.00 1.00 O ATOM 170 CB ASP A 11 0.842 -8.350 -4.335 1.00 1.00 C ATOM 171 CG ASP A 11 1.463 -9.052 -5.536 1.00 1.00 C ATOM 172 OD1 ASP A 11 2.680 -9.114 -5.595 1.00 1.00 O ATOM 173 OD2 ASP A 11 0.716 -9.511 -6.383 1.00 1.00 O ATOM 0 H ASP A 11 0.337 -7.525 -2.062 1.00 1.00 H new ATOM 0 HA ASP A 11 2.564 -8.739 -3.107 1.00 1.00 H new ATOM 0 HB2 ASP A 11 0.158 -9.026 -3.822 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.254 -7.494 -4.667 1.00 1.00 H new ATOM 178 N ILE A 12 2.284 -5.619 -4.140 1.00 1.00 N ATOM 179 CA ILE A 12 3.028 -4.539 -4.767 1.00 1.00 C ATOM 180 C ILE A 12 4.394 -4.376 -4.106 1.00 1.00 C ATOM 181 O ILE A 12 5.403 -4.261 -4.795 1.00 1.00 O ATOM 182 CB ILE A 12 2.233 -3.221 -4.655 1.00 1.00 C ATOM 183 CG1 ILE A 12 1.311 -3.063 -5.867 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.191 -2.029 -4.580 1.00 1.00 C ATOM 185 CD1 ILE A 12 0.194 -4.099 -5.808 1.00 1.00 C ATOM 0 H ILE A 12 1.363 -5.357 -3.789 1.00 1.00 H new ATOM 0 HA ILE A 12 3.176 -4.784 -5.819 1.00 1.00 H new ATOM 0 HB ILE A 12 1.632 -3.252 -3.746 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.887 -2.059 -5.884 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.882 -3.183 -6.788 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.617 -1.106 -4.501 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.833 -2.133 -3.705 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.805 -1.999 -5.480 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.458 -3.981 -6.673 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.625 -5.100 -5.813 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.385 -3.958 -4.895 1.00 1.00 H new ATOM 197 N VAL A 13 4.404 -4.331 -2.786 1.00 1.00 N ATOM 198 CA VAL A 13 5.643 -4.151 -2.050 1.00 1.00 C ATOM 199 C VAL A 13 6.579 -5.330 -2.291 1.00 1.00 C ATOM 200 O VAL A 13 7.775 -5.163 -2.467 1.00 1.00 O ATOM 201 CB VAL A 13 5.352 -4.025 -0.551 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.658 -3.787 0.206 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.399 -2.854 -0.314 1.00 1.00 C ATOM 0 H VAL A 13 3.571 -4.416 -2.203 1.00 1.00 H new ATOM 0 HA VAL A 13 6.124 -3.238 -2.401 1.00 1.00 H new ATOM 0 HB VAL A 13 4.891 -4.945 -0.192 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.449 -3.698 1.272 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.334 -4.625 0.038 1.00 1.00 H new ATOM 0 HG13 VAL A 13 7.123 -2.868 -0.151 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.192 -2.764 0.752 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.858 -1.933 -0.674 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.467 -3.029 -0.851 1.00 1.00 H new ATOM 213 N LYS A 14 6.023 -6.531 -2.284 1.00 1.00 N ATOM 214 CA LYS A 14 6.819 -7.728 -2.490 1.00 1.00 C ATOM 215 C LYS A 14 7.420 -7.750 -3.889 1.00 1.00 C ATOM 216 O LYS A 14 8.515 -8.266 -4.096 1.00 1.00 O ATOM 217 CB LYS A 14 5.944 -8.977 -2.301 1.00 1.00 C ATOM 218 CG LYS A 14 5.228 -8.897 -0.946 1.00 1.00 C ATOM 219 CD LYS A 14 4.945 -10.313 -0.428 1.00 1.00 C ATOM 220 CE LYS A 14 6.225 -10.893 0.194 1.00 1.00 C ATOM 221 NZ LYS A 14 6.002 -11.120 1.648 1.00 1.00 N ATOM 0 H LYS A 14 5.028 -6.702 -2.138 1.00 1.00 H new ATOM 0 HA LYS A 14 7.627 -7.725 -1.759 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.214 -9.048 -3.107 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.559 -9.876 -2.347 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.844 -8.353 -0.230 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.295 -8.343 -1.049 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.146 -10.288 0.313 1.00 1.00 H new ATOM 0 HD3 LYS A 14 4.603 -10.949 -1.244 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.490 -11.830 -0.296 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.059 -10.208 0.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.867 -10.882 2.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.220 -10.518 1.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.762 -12.119 1.811 1.00 1.00 H new ATOM 235 N GLU A 15 6.694 -7.186 -4.846 1.00 1.00 N ATOM 236 CA GLU A 15 7.155 -7.154 -6.227 1.00 1.00 C ATOM 237 C GLU A 15 8.270 -6.139 -6.412 1.00 1.00 C ATOM 238 O GLU A 15 9.046 -6.222 -7.364 1.00 1.00 O ATOM 239 CB GLU A 15 5.988 -6.817 -7.159 1.00 1.00 C ATOM 240 CG GLU A 15 5.029 -8.009 -7.243 1.00 1.00 C ATOM 241 CD GLU A 15 5.681 -9.148 -8.020 1.00 1.00 C ATOM 242 OE1 GLU A 15 6.597 -8.872 -8.779 1.00 1.00 O ATOM 243 OE2 GLU A 15 5.252 -10.277 -7.851 1.00 1.00 O ATOM 0 H GLU A 15 5.787 -6.746 -4.692 1.00 1.00 H new ATOM 0 HA GLU A 15 7.548 -8.140 -6.475 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.459 -5.938 -6.791 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.363 -6.570 -8.152 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.765 -8.346 -6.240 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.103 -7.708 -7.732 1.00 1.00 H new ATOM 250 N LYS A 16 8.349 -5.187 -5.492 1.00 1.00 N ATOM 251 CA LYS A 16 9.380 -4.153 -5.559 1.00 1.00 C ATOM 252 C LYS A 16 10.758 -4.772 -5.484 1.00 1.00 C ATOM 253 O LYS A 16 11.701 -4.289 -6.111 1.00 1.00 O ATOM 254 CB LYS A 16 9.180 -3.139 -4.425 1.00 1.00 C ATOM 255 CG LYS A 16 8.509 -1.876 -4.968 1.00 1.00 C ATOM 256 CD LYS A 16 7.104 -2.216 -5.477 1.00 1.00 C ATOM 257 CE LYS A 16 6.657 -1.157 -6.488 1.00 1.00 C ATOM 258 NZ LYS A 16 7.324 -1.410 -7.797 1.00 1.00 N ATOM 0 H LYS A 16 7.718 -5.107 -4.695 1.00 1.00 H new ATOM 0 HA LYS A 16 9.294 -3.632 -6.513 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.567 -3.577 -3.638 1.00 1.00 H new ATOM 0 HB3 LYS A 16 10.141 -2.887 -3.977 1.00 1.00 H new ATOM 0 HG2 LYS A 16 8.450 -1.119 -4.186 1.00 1.00 H new ATOM 0 HG3 LYS A 16 9.107 -1.454 -5.776 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.103 -3.202 -5.942 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.403 -2.256 -4.643 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.574 -1.186 -6.607 1.00 1.00 H new ATOM 0 HE3 LYS A 16 6.911 -0.161 -6.124 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 7.624 -0.506 -8.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.156 -2.017 -7.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.658 -1.883 -8.440 1.00 1.00 H new ATOM 272 N LEU A 17 10.882 -5.825 -4.696 1.00 1.00 N ATOM 273 CA LEU A 17 12.164 -6.505 -4.525 1.00 1.00 C ATOM 274 C LEU A 17 12.101 -7.896 -5.151 1.00 1.00 C ATOM 275 O LEU A 17 13.089 -8.634 -5.127 1.00 1.00 O ATOM 276 CB LEU A 17 12.521 -6.629 -3.041 1.00 1.00 C ATOM 277 CG LEU A 17 11.278 -6.336 -2.190 1.00 1.00 C ATOM 278 CD1 LEU A 17 11.482 -6.889 -0.782 1.00 1.00 C ATOM 279 CD2 LEU A 17 11.047 -4.820 -2.126 1.00 1.00 C ATOM 0 H LEU A 17 10.114 -6.232 -4.162 1.00 1.00 H new ATOM 0 HA LEU A 17 12.934 -5.914 -5.021 1.00 1.00 H new ATOM 0 HB2 LEU A 17 12.893 -7.631 -2.828 1.00 1.00 H new ATOM 0 HB3 LEU A 17 13.320 -5.932 -2.789 1.00 1.00 H new ATOM 0 HG LEU A 17 10.407 -6.813 -2.640 1.00 1.00 H new ATOM 0 HD11 LEU A 17 10.599 -6.681 -0.178 1.00 1.00 H new ATOM 0 HD12 LEU A 17 11.641 -7.966 -0.834 1.00 1.00 H new ATOM 0 HD13 LEU A 17 12.352 -6.416 -0.328 1.00 1.00 H new ATOM 0 HD21 LEU A 17 10.164 -4.612 -1.522 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.916 -4.338 -1.677 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.897 -4.432 -3.133 1.00 1.00 H new ATOM 291 N ALA A 18 10.945 -8.250 -5.696 1.00 1.00 N ATOM 292 CA ALA A 18 10.773 -9.553 -6.320 1.00 1.00 C ATOM 293 C ALA A 18 10.502 -10.627 -5.281 1.00 1.00 C ATOM 294 O ALA A 18 11.189 -11.653 -5.239 1.00 1.00 O ATOM 295 CB ALA A 18 12.027 -9.919 -7.127 1.00 1.00 C ATOM 0 H ALA A 18 10.116 -7.656 -5.718 1.00 1.00 H new ATOM 0 HA ALA A 18 9.913 -9.496 -6.988 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.889 -10.896 -7.590 1.00 1.00 H new ATOM 0 HB2 ALA A 18 12.193 -9.170 -7.901 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.891 -9.951 -6.463 1.00 1.00 H new ATOM 301 N LEU A 19 9.509 -10.395 -4.436 1.00 1.00 N ATOM 302 CA LEU A 19 9.153 -11.355 -3.395 1.00 1.00 C ATOM 303 C LEU A 19 7.775 -11.947 -3.673 1.00 1.00 C ATOM 304 O LEU A 19 7.217 -11.780 -4.752 1.00 1.00 O ATOM 305 CB LEU A 19 9.159 -10.676 -2.026 1.00 1.00 C ATOM 306 CG LEU A 19 10.541 -10.825 -1.383 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.599 -10.204 -2.299 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.553 -10.120 -0.027 1.00 1.00 C ATOM 0 H LEU A 19 8.934 -9.552 -4.448 1.00 1.00 H new ATOM 0 HA LEU A 19 9.890 -12.158 -3.396 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.908 -9.621 -2.132 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.399 -11.122 -1.385 1.00 1.00 H new ATOM 0 HG LEU A 19 10.764 -11.882 -1.239 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.583 -10.310 -1.842 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.590 -10.713 -3.263 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.378 -9.147 -2.445 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.537 -10.227 0.430 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.330 -9.062 -0.165 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.801 -10.568 0.623 1.00 1.00 H new ATOM 320 N GLY A 20 7.222 -12.637 -2.674 1.00 1.00 N ATOM 321 CA GLY A 20 5.906 -13.243 -2.809 1.00 1.00 C ATOM 322 C GLY A 20 6.023 -14.712 -3.186 1.00 1.00 C ATOM 323 O GLY A 20 5.018 -15.391 -3.398 1.00 1.00 O ATOM 0 H GLY A 20 7.666 -12.787 -1.768 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.358 -13.146 -1.872 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.333 -12.712 -3.569 1.00 1.00 H new ATOM 327 N ALA A 21 7.257 -15.201 -3.270 1.00 1.00 N ATOM 328 CA ALA A 21 7.492 -16.597 -3.624 1.00 1.00 C ATOM 329 C ALA A 21 7.413 -17.481 -2.388 1.00 1.00 C ATOM 330 O ALA A 21 6.398 -18.132 -2.138 1.00 1.00 O ATOM 331 CB ALA A 21 8.869 -16.746 -4.271 1.00 1.00 C ATOM 0 H ALA A 21 8.103 -14.657 -3.099 1.00 1.00 H new ATOM 0 HA ALA A 21 6.723 -16.908 -4.331 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.037 -17.791 -4.532 1.00 1.00 H new ATOM 0 HB2 ALA A 21 8.916 -16.134 -5.172 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.637 -16.419 -3.570 1.00 1.00 H new ATOM 337 N ASP A 22 8.492 -17.504 -1.608 1.00 1.00 N ATOM 338 CA ASP A 22 8.532 -18.310 -0.393 1.00 1.00 C ATOM 339 C ASP A 22 8.326 -17.438 0.836 1.00 1.00 C ATOM 340 O ASP A 22 8.348 -17.924 1.969 1.00 1.00 O ATOM 341 CB ASP A 22 9.876 -19.033 -0.289 1.00 1.00 C ATOM 342 CG ASP A 22 9.967 -20.118 -1.357 1.00 1.00 C ATOM 343 OD1 ASP A 22 8.946 -20.423 -1.952 1.00 1.00 O ATOM 344 OD2 ASP A 22 11.054 -20.632 -1.561 1.00 1.00 O ATOM 0 H ASP A 22 9.345 -16.977 -1.795 1.00 1.00 H new ATOM 0 HA ASP A 22 7.728 -19.044 -0.441 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.692 -18.321 -0.411 1.00 1.00 H new ATOM 0 HB3 ASP A 22 9.985 -19.475 0.701 1.00 1.00 H new ATOM 349 N VAL A 23 8.131 -16.141 0.613 1.00 1.00 N ATOM 350 CA VAL A 23 7.932 -15.204 1.714 1.00 1.00 C ATOM 351 C VAL A 23 6.447 -15.061 2.029 1.00 1.00 C ATOM 352 O VAL A 23 5.623 -14.902 1.130 1.00 1.00 O ATOM 353 CB VAL A 23 8.514 -13.838 1.349 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.382 -12.891 2.544 1.00 1.00 C ATOM 355 CG2 VAL A 23 9.989 -13.993 0.979 1.00 1.00 C ATOM 0 H VAL A 23 8.107 -15.717 -0.314 1.00 1.00 H new ATOM 0 HA VAL A 23 8.444 -15.591 2.595 1.00 1.00 H new ATOM 0 HB VAL A 23 7.969 -13.427 0.499 1.00 1.00 H new ATOM 0 HG11 VAL A 23 8.797 -11.917 2.284 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.330 -12.779 2.805 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.925 -13.301 3.395 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.403 -13.019 0.719 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.536 -14.405 1.827 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.082 -14.666 0.127 1.00 1.00 H new ATOM 365 N VAL A 24 6.111 -15.120 3.314 1.00 1.00 N ATOM 366 CA VAL A 24 4.723 -14.998 3.736 1.00 1.00 C ATOM 367 C VAL A 24 4.258 -13.554 3.639 1.00 1.00 C ATOM 368 O VAL A 24 5.067 -12.623 3.683 1.00 1.00 O ATOM 369 CB VAL A 24 4.574 -15.483 5.181 1.00 1.00 C ATOM 370 CG1 VAL A 24 5.228 -16.858 5.326 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.253 -14.493 6.131 1.00 1.00 C ATOM 0 H VAL A 24 6.777 -15.251 4.075 1.00 1.00 H new ATOM 0 HA VAL A 24 4.109 -15.612 3.077 1.00 1.00 H new ATOM 0 HB VAL A 24 3.515 -15.553 5.430 1.00 1.00 H new ATOM 0 HG11 VAL A 24 5.123 -17.204 6.354 1.00 1.00 H new ATOM 0 HG12 VAL A 24 4.742 -17.565 4.653 1.00 1.00 H new ATOM 0 HG13 VAL A 24 6.286 -16.786 5.074 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.145 -14.842 7.158 1.00 1.00 H new ATOM 0 HG22 VAL A 24 6.312 -14.418 5.883 1.00 1.00 H new ATOM 0 HG23 VAL A 24 4.787 -13.513 6.029 1.00 1.00 H new ATOM 381 N VAL A 25 2.948 -13.362 3.509 1.00 1.00 N ATOM 382 CA VAL A 25 2.386 -12.017 3.408 1.00 1.00 C ATOM 383 C VAL A 25 1.576 -11.690 4.654 1.00 1.00 C ATOM 384 O VAL A 25 0.711 -12.462 5.074 1.00 1.00 O ATOM 385 CB VAL A 25 1.486 -11.919 2.176 1.00 1.00 C ATOM 386 CG1 VAL A 25 0.388 -12.981 2.256 1.00 1.00 C ATOM 387 CG2 VAL A 25 0.848 -10.529 2.123 1.00 1.00 C ATOM 0 H VAL A 25 2.260 -14.114 3.471 1.00 1.00 H new ATOM 0 HA VAL A 25 3.205 -11.304 3.317 1.00 1.00 H new ATOM 0 HB VAL A 25 2.082 -12.083 1.278 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -0.252 -12.909 1.377 1.00 1.00 H new ATOM 0 HG12 VAL A 25 0.842 -13.971 2.295 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -0.209 -12.820 3.154 1.00 1.00 H new ATOM 0 HG21 VAL A 25 0.206 -10.457 1.245 1.00 1.00 H new ATOM 0 HG22 VAL A 25 0.253 -10.367 3.022 1.00 1.00 H new ATOM 0 HG23 VAL A 25 1.630 -9.772 2.064 1.00 1.00 H new ATOM 397 N THR A 26 1.857 -10.533 5.252 1.00 1.00 N ATOM 398 CA THR A 26 1.147 -10.107 6.454 1.00 1.00 C ATOM 399 C THR A 26 0.647 -8.677 6.301 1.00 1.00 C ATOM 400 O THR A 26 1.219 -7.882 5.557 1.00 1.00 O ATOM 401 CB THR A 26 2.078 -10.202 7.667 1.00 1.00 C ATOM 402 OG1 THR A 26 3.384 -9.796 7.289 1.00 1.00 O ATOM 403 CG2 THR A 26 2.117 -11.643 8.177 1.00 1.00 C ATOM 0 H THR A 26 2.567 -9.878 4.925 1.00 1.00 H new ATOM 0 HA THR A 26 0.289 -10.763 6.602 1.00 1.00 H new ATOM 0 HB THR A 26 1.708 -9.552 8.460 1.00 1.00 H new ATOM 0 HG1 THR A 26 4.006 -10.544 7.408 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.780 -11.706 9.040 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.113 -11.953 8.468 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.485 -12.298 7.388 1.00 1.00 H new ATOM 411 N ALA A 27 -0.426 -8.352 7.016 1.00 1.00 N ATOM 412 CA ALA A 27 -0.993 -7.013 6.955 1.00 1.00 C ATOM 413 C ALA A 27 -0.340 -6.100 7.987 1.00 1.00 C ATOM 414 O ALA A 27 -0.174 -4.904 7.753 1.00 1.00 O ATOM 415 CB ALA A 27 -2.506 -7.077 7.211 1.00 1.00 C ATOM 0 H ALA A 27 -0.916 -8.994 7.639 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.805 -6.606 5.962 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.926 -6.072 7.164 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.977 -7.703 6.453 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.690 -7.502 8.198 1.00 1.00 H new ATOM 421 N ASP A 28 0.012 -6.672 9.134 1.00 1.00 N ATOM 422 CA ASP A 28 0.627 -5.897 10.203 1.00 1.00 C ATOM 423 C ASP A 28 2.082 -5.594 9.878 1.00 1.00 C ATOM 424 O ASP A 28 2.757 -4.874 10.614 1.00 1.00 O ATOM 425 CB ASP A 28 0.545 -6.668 11.522 1.00 1.00 C ATOM 426 CG ASP A 28 1.256 -8.010 11.383 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.930 -8.199 10.383 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.124 -8.824 12.281 1.00 1.00 O ATOM 0 H ASP A 28 -0.117 -7.661 9.345 1.00 1.00 H new ATOM 0 HA ASP A 28 0.086 -4.955 10.299 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.001 -6.086 12.323 1.00 1.00 H new ATOM 0 HB3 ASP A 28 -0.498 -6.826 11.797 1.00 1.00 H new ATOM 433 N SER A 29 2.563 -6.148 8.769 1.00 1.00 N ATOM 434 CA SER A 29 3.943 -5.927 8.355 1.00 1.00 C ATOM 435 C SER A 29 4.081 -4.572 7.667 1.00 1.00 C ATOM 436 O SER A 29 3.783 -4.435 6.479 1.00 1.00 O ATOM 437 CB SER A 29 4.383 -7.035 7.396 1.00 1.00 C ATOM 438 OG SER A 29 4.798 -8.166 8.148 1.00 1.00 O ATOM 0 H SER A 29 2.022 -6.748 8.146 1.00 1.00 H new ATOM 0 HA SER A 29 4.578 -5.941 9.241 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.561 -7.306 6.733 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.199 -6.683 6.765 1.00 1.00 H new ATOM 0 HG SER A 29 4.350 -8.968 7.807 1.00 1.00 H new ATOM 444 N GLU A 30 4.538 -3.577 8.417 1.00 1.00 N ATOM 445 CA GLU A 30 4.711 -2.235 7.870 1.00 1.00 C ATOM 446 C GLU A 30 5.297 -2.301 6.461 1.00 1.00 C ATOM 447 O GLU A 30 5.961 -3.273 6.101 1.00 1.00 O ATOM 448 CB GLU A 30 5.642 -1.424 8.771 1.00 1.00 C ATOM 449 CG GLU A 30 5.016 -1.286 10.160 1.00 1.00 C ATOM 450 CD GLU A 30 5.985 -0.580 11.103 1.00 1.00 C ATOM 451 OE1 GLU A 30 7.057 -0.211 10.651 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.642 -0.416 12.261 1.00 1.00 O ATOM 0 H GLU A 30 4.794 -3.671 9.400 1.00 1.00 H new ATOM 0 HA GLU A 30 3.735 -1.752 7.823 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.612 -1.915 8.845 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.816 -0.438 8.339 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.085 -0.723 10.094 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.765 -2.271 10.554 1.00 1.00 H new ATOM 600 N THR A 41 7.292 6.254 -2.028 1.00 1.00 N ATOM 601 CA THR A 41 5.876 6.580 -1.907 1.00 1.00 C ATOM 602 C THR A 41 5.272 6.854 -3.279 1.00 1.00 C ATOM 603 O THR A 41 4.170 6.402 -3.582 1.00 1.00 O ATOM 604 CB THR A 41 5.696 7.808 -1.014 1.00 1.00 C ATOM 605 OG1 THR A 41 6.441 7.634 0.184 1.00 1.00 O ATOM 606 CG2 THR A 41 4.216 7.982 -0.674 1.00 1.00 C ATOM 0 HA THR A 41 5.363 5.729 -1.459 1.00 1.00 H new ATOM 0 HB THR A 41 6.052 8.694 -1.539 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.226 7.077 0.003 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.089 8.858 -0.037 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.645 8.116 -1.593 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.857 7.097 -0.149 1.00 1.00 H new ATOM 614 N VAL A 42 5.999 7.600 -4.103 1.00 1.00 N ATOM 615 CA VAL A 42 5.522 7.930 -5.438 1.00 1.00 C ATOM 616 C VAL A 42 5.346 6.665 -6.274 1.00 1.00 C ATOM 617 O VAL A 42 4.363 6.516 -6.992 1.00 1.00 O ATOM 618 CB VAL A 42 6.517 8.866 -6.133 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.072 9.109 -7.577 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.567 10.200 -5.384 1.00 1.00 C ATOM 0 H VAL A 42 6.915 7.985 -3.871 1.00 1.00 H new ATOM 0 HA VAL A 42 4.557 8.428 -5.344 1.00 1.00 H new ATOM 0 HB VAL A 42 7.506 8.408 -6.132 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.781 9.775 -8.069 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.035 8.160 -8.111 1.00 1.00 H new ATOM 0 HG13 VAL A 42 5.082 9.566 -7.581 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.274 10.867 -5.876 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.577 10.655 -5.385 1.00 1.00 H new ATOM 0 HG23 VAL A 42 6.886 10.028 -4.356 1.00 1.00 H new ATOM 630 N GLU A 43 6.312 5.762 -6.181 1.00 1.00 N ATOM 631 CA GLU A 43 6.252 4.520 -6.930 1.00 1.00 C ATOM 632 C GLU A 43 5.240 3.559 -6.310 1.00 1.00 C ATOM 633 O GLU A 43 4.452 2.928 -7.013 1.00 1.00 O ATOM 634 CB GLU A 43 7.631 3.851 -6.953 1.00 1.00 C ATOM 635 CG GLU A 43 8.598 4.709 -7.776 1.00 1.00 C ATOM 636 CD GLU A 43 9.989 4.087 -7.765 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.142 3.039 -7.159 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.880 4.663 -8.364 1.00 1.00 O ATOM 0 H GLU A 43 7.142 5.867 -5.597 1.00 1.00 H new ATOM 0 HA GLU A 43 5.940 4.756 -7.947 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.007 3.732 -5.937 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.556 2.853 -7.384 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.238 4.795 -8.801 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.639 5.718 -7.367 1.00 1.00 H new ATOM 645 N ILE A 44 5.274 3.451 -4.986 1.00 1.00 N ATOM 646 CA ILE A 44 4.370 2.550 -4.292 1.00 1.00 C ATOM 647 C ILE A 44 2.923 2.983 -4.446 1.00 1.00 C ATOM 648 O ILE A 44 2.054 2.170 -4.755 1.00 1.00 O ATOM 649 CB ILE A 44 4.731 2.513 -2.795 1.00 1.00 C ATOM 650 CG1 ILE A 44 6.101 1.839 -2.609 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.663 1.717 -2.027 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.936 0.315 -2.576 1.00 1.00 C ATOM 0 H ILE A 44 5.910 3.970 -4.381 1.00 1.00 H new ATOM 0 HA ILE A 44 4.478 1.559 -4.733 1.00 1.00 H new ATOM 0 HB ILE A 44 4.773 3.532 -2.411 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.769 2.123 -3.422 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.562 2.183 -1.683 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.920 1.692 -0.968 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.692 2.195 -2.154 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.619 0.699 -2.414 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.911 -0.154 -2.444 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.285 0.037 -1.747 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.495 -0.024 -3.513 1.00 1.00 H new ATOM 664 N VAL A 45 2.676 4.267 -4.234 1.00 1.00 N ATOM 665 CA VAL A 45 1.323 4.795 -4.344 1.00 1.00 C ATOM 666 C VAL A 45 0.784 4.635 -5.757 1.00 1.00 C ATOM 667 O VAL A 45 -0.363 4.251 -5.956 1.00 1.00 O ATOM 668 CB VAL A 45 1.310 6.279 -3.947 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.917 7.113 -5.079 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.131 6.730 -3.698 1.00 1.00 C ATOM 0 H VAL A 45 3.386 4.957 -3.987 1.00 1.00 H new ATOM 0 HA VAL A 45 0.681 4.230 -3.669 1.00 1.00 H new ATOM 0 HB VAL A 45 1.895 6.417 -3.038 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.909 8.167 -4.799 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.944 6.793 -5.257 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.331 6.974 -5.988 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.139 7.783 -3.416 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.717 6.593 -4.607 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.564 6.136 -2.893 1.00 1.00 H new ATOM 680 N MET A 46 1.627 4.946 -6.736 1.00 1.00 N ATOM 681 CA MET A 46 1.227 4.850 -8.133 1.00 1.00 C ATOM 682 C MET A 46 0.875 3.411 -8.488 1.00 1.00 C ATOM 683 O MET A 46 -0.068 3.159 -9.240 1.00 1.00 O ATOM 684 CB MET A 46 2.358 5.343 -9.038 1.00 1.00 C ATOM 685 CG MET A 46 1.815 5.593 -10.446 1.00 1.00 C ATOM 686 SD MET A 46 0.860 7.134 -10.457 1.00 1.00 S ATOM 687 CE MET A 46 -0.745 6.410 -10.878 1.00 1.00 C ATOM 0 H MET A 46 2.585 5.264 -6.589 1.00 1.00 H new ATOM 0 HA MET A 46 0.347 5.475 -8.284 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.787 6.260 -8.634 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.159 4.604 -9.072 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.637 5.656 -11.159 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.186 4.760 -10.758 1.00 1.00 H new ATOM 0 HE1 MET A 46 -1.527 7.158 -10.748 1.00 1.00 H new ATOM 0 HE2 MET A 46 -0.732 6.075 -11.915 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.943 5.560 -10.225 1.00 1.00 H new ATOM 697 N ASN A 47 1.645 2.468 -7.949 1.00 1.00 N ATOM 698 CA ASN A 47 1.401 1.056 -8.224 1.00 1.00 C ATOM 699 C ASN A 47 0.024 0.643 -7.716 1.00 1.00 C ATOM 700 O ASN A 47 -0.738 -0.008 -8.432 1.00 1.00 O ATOM 701 CB ASN A 47 2.478 0.206 -7.541 1.00 1.00 C ATOM 702 CG ASN A 47 3.727 0.138 -8.415 1.00 1.00 C ATOM 703 OD1 ASN A 47 3.825 -0.800 -9.317 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 4.629 0.960 -8.276 1.00 1.00 N flip ATOM 0 H ASN A 47 2.433 2.653 -7.328 1.00 1.00 H new ATOM 0 HA ASN A 47 1.438 0.897 -9.302 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.727 0.633 -6.570 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.097 -0.799 -7.359 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.548 1.691 -7.570 1.00 1.00 H new ATOM 0 HD22 ASN A 47 5.459 0.911 -8.867 1.00 1.00 H new ATOM 711 N LEU A 48 -0.285 1.018 -6.480 1.00 1.00 N ATOM 712 CA LEU A 48 -1.578 0.677 -5.894 1.00 1.00 C ATOM 713 C LEU A 48 -2.705 1.382 -6.638 1.00 1.00 C ATOM 714 O LEU A 48 -3.713 0.772 -6.981 1.00 1.00 O ATOM 715 CB LEU A 48 -1.601 1.095 -4.420 1.00 1.00 C ATOM 716 CG LEU A 48 -0.427 0.441 -3.685 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.196 1.157 -2.354 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.748 -1.032 -3.420 1.00 1.00 C ATOM 0 H LEU A 48 0.333 1.552 -5.869 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.723 -0.400 -5.974 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.536 2.180 -4.338 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.543 0.796 -3.961 1.00 1.00 H new ATOM 0 HG LEU A 48 0.471 0.514 -4.299 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.639 0.692 -1.831 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.032 2.207 -2.540 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.094 1.084 -1.741 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.087 -1.498 -2.897 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.646 -1.104 -2.806 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.914 -1.544 -4.368 1.00 1.00 H new ATOM 730 N GLU A 49 -2.522 2.674 -6.895 1.00 1.00 N ATOM 731 CA GLU A 49 -3.531 3.453 -7.602 1.00 1.00 C ATOM 732 C GLU A 49 -3.713 2.926 -9.022 1.00 1.00 C ATOM 733 O GLU A 49 -4.824 2.910 -9.552 1.00 1.00 O ATOM 734 CB GLU A 49 -3.115 4.925 -7.653 1.00 1.00 C ATOM 735 CG GLU A 49 -4.276 5.766 -8.184 1.00 1.00 C ATOM 736 CD GLU A 49 -3.858 7.228 -8.291 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.920 7.608 -7.610 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.472 7.942 -9.067 1.00 1.00 O ATOM 0 H GLU A 49 -1.690 3.200 -6.626 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.476 3.361 -7.066 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.829 5.268 -6.658 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.242 5.045 -8.295 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.586 5.396 -9.161 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.136 5.673 -7.520 1.00 1.00 H new ATOM 745 N GLU A 50 -2.613 2.495 -9.634 1.00 1.00 N ATOM 746 CA GLU A 50 -2.665 1.967 -10.990 1.00 1.00 C ATOM 747 C GLU A 50 -3.341 0.600 -11.011 1.00 1.00 C ATOM 748 O GLU A 50 -4.152 0.309 -11.891 1.00 1.00 O ATOM 749 CB GLU A 50 -1.249 1.846 -11.558 1.00 1.00 C ATOM 750 CG GLU A 50 -1.319 1.391 -13.018 1.00 1.00 C ATOM 751 CD GLU A 50 0.085 1.334 -13.614 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.034 1.398 -12.852 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.187 1.231 -14.825 1.00 1.00 O ATOM 0 H GLU A 50 -1.683 2.501 -9.215 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.246 2.655 -11.604 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.736 2.805 -11.490 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.671 1.132 -10.971 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.789 0.410 -13.080 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.939 2.079 -13.593 1.00 1.00 H new ATOM 760 N GLU A 51 -2.996 -0.240 -10.040 1.00 1.00 N ATOM 761 CA GLU A 51 -3.570 -1.575 -9.964 1.00 1.00 C ATOM 762 C GLU A 51 -5.062 -1.508 -9.667 1.00 1.00 C ATOM 763 O GLU A 51 -5.879 -2.043 -10.417 1.00 1.00 O ATOM 764 CB GLU A 51 -2.869 -2.380 -8.863 1.00 1.00 C ATOM 765 CG GLU A 51 -3.370 -3.826 -8.888 1.00 1.00 C ATOM 766 CD GLU A 51 -2.694 -4.631 -7.784 1.00 1.00 C ATOM 767 OE1 GLU A 51 -2.697 -4.169 -6.655 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.187 -5.700 -8.082 1.00 1.00 O ATOM 0 H GLU A 51 -2.327 -0.021 -9.302 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.426 -2.064 -10.928 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.789 -2.356 -9.012 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.067 -1.932 -7.889 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -4.452 -3.847 -8.755 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -3.160 -4.276 -9.858 1.00 1.00 H new ATOM 775 N PHE A 52 -5.413 -0.848 -8.572 1.00 1.00 N ATOM 776 CA PHE A 52 -6.810 -0.720 -8.185 1.00 1.00 C ATOM 777 C PHE A 52 -7.567 0.168 -9.164 1.00 1.00 C ATOM 778 O PHE A 52 -8.779 0.035 -9.330 1.00 1.00 O ATOM 779 CB PHE A 52 -6.911 -0.126 -6.774 1.00 1.00 C ATOM 780 CG PHE A 52 -6.414 -1.133 -5.764 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.083 -2.355 -5.607 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.287 -0.849 -4.982 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.624 -3.288 -4.670 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.829 -1.782 -4.047 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.497 -3.001 -3.892 1.00 1.00 C ATOM 0 H PHE A 52 -4.753 -0.395 -7.939 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.257 -1.714 -8.197 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.322 0.789 -6.711 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.944 0.144 -6.555 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.952 -2.576 -6.209 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.771 0.092 -5.102 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.140 -4.229 -4.548 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -3.960 -1.562 -3.445 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.142 -3.722 -3.170 1.00 1.00 H new ATOM 795 N GLY A 53 -6.842 1.083 -9.804 1.00 1.00 N ATOM 796 CA GLY A 53 -7.456 2.006 -10.758 1.00 1.00 C ATOM 797 C GLY A 53 -8.268 3.062 -10.019 1.00 1.00 C ATOM 798 O GLY A 53 -9.399 3.373 -10.397 1.00 1.00 O ATOM 0 H GLY A 53 -5.837 1.205 -9.681 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.684 2.486 -11.360 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -8.100 1.456 -11.445 1.00 1.00 H new ATOM 802 N ILE A 54 -7.691 3.617 -8.956 1.00 1.00 N ATOM 803 CA ILE A 54 -8.379 4.632 -8.156 1.00 1.00 C ATOM 804 C ILE A 54 -7.630 5.945 -8.186 1.00 1.00 C ATOM 805 O ILE A 54 -6.781 6.166 -9.048 1.00 1.00 O ATOM 806 CB ILE A 54 -8.498 4.139 -6.706 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.125 3.674 -6.206 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.489 2.972 -6.633 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.280 2.911 -4.889 1.00 1.00 C ATOM 0 H ILE A 54 -6.754 3.384 -8.628 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.371 4.795 -8.578 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.856 4.956 -6.080 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.654 3.035 -6.953 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.470 4.534 -6.063 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.569 2.627 -5.602 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.467 3.303 -6.982 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -9.136 2.155 -7.263 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.300 2.584 -4.540 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.732 3.563 -4.142 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.918 2.041 -5.045 1.00 1.00 H new ATOM 821 N ASN A 55 -7.951 6.829 -7.242 1.00 1.00 N ATOM 822 CA ASN A 55 -7.295 8.133 -7.169 1.00 1.00 C ATOM 823 C ASN A 55 -6.708 8.347 -5.780 1.00 1.00 C ATOM 824 O ASN A 55 -7.406 8.229 -4.773 1.00 1.00 O ATOM 825 CB ASN A 55 -8.292 9.242 -7.486 1.00 1.00 C ATOM 826 CG ASN A 55 -9.616 8.967 -6.780 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.642 8.784 -7.435 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.656 8.928 -5.477 1.00 1.00 N ATOM 0 H ASN A 55 -8.656 6.668 -6.523 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.490 8.160 -7.903 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.892 10.204 -7.166 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.450 9.304 -8.563 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.538 8.746 -4.999 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -8.805 9.080 -4.936 1.00 1.00 H new ATOM 835 N VAL A 56 -5.416 8.670 -5.730 1.00 1.00 N ATOM 836 CA VAL A 56 -4.745 8.898 -4.458 1.00 1.00 C ATOM 837 C VAL A 56 -3.990 10.216 -4.473 1.00 1.00 C ATOM 838 O VAL A 56 -3.293 10.535 -5.437 1.00 1.00 O ATOM 839 CB VAL A 56 -3.762 7.755 -4.178 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.041 8.012 -2.852 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.529 6.431 -4.095 1.00 1.00 C ATOM 0 H VAL A 56 -4.820 8.778 -6.551 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.502 8.936 -3.675 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.030 7.701 -4.983 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.343 7.199 -2.654 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.495 8.953 -2.911 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -3.772 8.067 -2.045 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.831 5.618 -3.896 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.262 6.485 -3.290 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.040 6.247 -5.040 1.00 1.00 H new ATOM 851 N ASP A 57 -4.131 10.989 -3.398 1.00 1.00 N ATOM 852 CA ASP A 57 -3.453 12.278 -3.297 1.00 1.00 C ATOM 853 C ASP A 57 -2.330 12.210 -2.266 1.00 1.00 C ATOM 854 O ASP A 57 -2.374 11.405 -1.335 1.00 1.00 O ATOM 855 CB ASP A 57 -4.451 13.364 -2.894 1.00 1.00 C ATOM 856 CG ASP A 57 -3.798 14.736 -3.000 1.00 1.00 C ATOM 857 OD1 ASP A 57 -2.768 14.833 -3.649 1.00 1.00 O ATOM 858 OD2 ASP A 57 -4.333 15.672 -2.429 1.00 1.00 O ATOM 0 H ASP A 57 -4.705 10.747 -2.590 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.027 12.521 -4.270 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.329 13.319 -3.538 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.795 13.193 -1.874 1.00 1.00 H new ATOM 863 N GLU A 58 -1.325 13.061 -2.436 1.00 1.00 N ATOM 864 CA GLU A 58 -0.197 13.090 -1.514 1.00 1.00 C ATOM 865 C GLU A 58 -0.677 13.326 -0.086 1.00 1.00 C ATOM 866 O GLU A 58 -0.077 12.836 0.867 1.00 1.00 O ATOM 867 CB GLU A 58 0.777 14.202 -1.918 1.00 1.00 C ATOM 868 CG GLU A 58 0.056 15.552 -1.876 1.00 1.00 C ATOM 869 CD GLU A 58 0.993 16.658 -2.346 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.168 16.378 -2.523 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.525 17.771 -2.520 1.00 1.00 O ATOM 0 H GLU A 58 -1.268 13.736 -3.199 1.00 1.00 H new ATOM 0 HA GLU A 58 0.311 12.126 -1.559 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.633 14.214 -1.243 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.164 14.015 -2.920 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.830 15.520 -2.510 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.286 15.760 -0.862 1.00 1.00 H new ATOM 878 N ASP A 59 -1.760 14.082 0.050 1.00 1.00 N ATOM 879 CA ASP A 59 -2.309 14.380 1.367 1.00 1.00 C ATOM 880 C ASP A 59 -2.763 13.103 2.060 1.00 1.00 C ATOM 881 O ASP A 59 -2.692 12.988 3.285 1.00 1.00 O ATOM 882 CB ASP A 59 -3.496 15.337 1.234 1.00 1.00 C ATOM 883 CG ASP A 59 -3.836 15.941 2.592 1.00 1.00 C ATOM 884 OD1 ASP A 59 -3.444 15.360 3.590 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.480 16.976 2.614 1.00 1.00 O ATOM 0 H ASP A 59 -2.272 14.497 -0.729 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.528 14.848 1.966 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.257 16.129 0.524 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -4.360 14.804 0.838 1.00 1.00 H new ATOM 890 N LYS A 60 -3.239 12.145 1.274 1.00 1.00 N ATOM 891 CA LYS A 60 -3.705 10.884 1.823 1.00 1.00 C ATOM 892 C LYS A 60 -2.590 9.849 1.820 1.00 1.00 C ATOM 893 O LYS A 60 -2.617 8.884 2.588 1.00 1.00 O ATOM 894 CB LYS A 60 -4.893 10.365 1.003 1.00 1.00 C ATOM 895 CG LYS A 60 -5.303 8.975 1.517 1.00 1.00 C ATOM 896 CD LYS A 60 -4.630 7.889 0.665 1.00 1.00 C ATOM 897 CE LYS A 60 -5.593 7.424 -0.423 1.00 1.00 C ATOM 898 NZ LYS A 60 -5.001 6.277 -1.156 1.00 1.00 N ATOM 0 H LYS A 60 -3.311 12.219 0.259 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.020 11.053 2.853 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.732 11.056 1.082 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.624 10.310 -0.052 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -5.013 8.863 2.562 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -6.387 8.866 1.473 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -3.717 8.279 0.215 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -4.341 7.047 1.293 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -6.545 7.133 0.020 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.800 8.242 -1.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.357 6.268 -2.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -3.965 6.369 -1.166 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -5.266 5.389 -0.683 1.00 1.00 H new ATOM 912 N ALA A 61 -1.612 10.042 0.942 1.00 1.00 N ATOM 913 CA ALA A 61 -0.493 9.108 0.832 1.00 1.00 C ATOM 914 C ALA A 61 0.786 9.743 1.344 1.00 1.00 C ATOM 915 O ALA A 61 1.832 9.670 0.694 1.00 1.00 O ATOM 916 CB ALA A 61 -0.308 8.685 -0.626 1.00 1.00 C ATOM 0 H ALA A 61 -1.569 10.832 0.298 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.716 8.231 1.439 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.528 7.989 -0.700 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.217 8.200 -0.982 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -0.103 9.564 -1.237 1.00 1.00 H new ATOM 922 N GLN A 62 0.708 10.369 2.513 1.00 1.00 N ATOM 923 CA GLN A 62 1.872 11.016 3.108 1.00 1.00 C ATOM 924 C GLN A 62 2.212 10.376 4.450 1.00 1.00 C ATOM 925 O GLN A 62 3.366 10.387 4.882 1.00 1.00 O ATOM 926 CB GLN A 62 1.599 12.508 3.308 1.00 1.00 C ATOM 927 CG GLN A 62 0.176 12.700 3.836 1.00 1.00 C ATOM 928 CD GLN A 62 -0.101 14.182 4.060 1.00 1.00 C ATOM 929 OE1 GLN A 62 -1.101 14.541 4.683 1.00 1.00 O ATOM 930 NE2 GLN A 62 0.728 15.071 3.584 1.00 1.00 N ATOM 0 H GLN A 62 -0.146 10.442 3.066 1.00 1.00 H new ATOM 0 HA GLN A 62 2.718 10.890 2.432 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.319 12.929 4.010 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.724 13.041 2.365 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.543 12.290 3.126 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.049 12.153 4.770 1.00 1.00 H new ATOM 0 HE21 GLN A 62 1.556 14.772 3.068 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.548 16.065 3.728 1.00 1.00 H new ATOM 939 N ASP A 63 1.198 9.824 5.111 1.00 1.00 N ATOM 940 CA ASP A 63 1.400 9.193 6.408 1.00 1.00 C ATOM 941 C ASP A 63 0.427 8.038 6.604 1.00 1.00 C ATOM 942 O ASP A 63 -0.389 8.047 7.526 1.00 1.00 O ATOM 943 CB ASP A 63 1.199 10.223 7.526 1.00 1.00 C ATOM 944 CG ASP A 63 1.573 9.612 8.873 1.00 1.00 C ATOM 945 OD1 ASP A 63 2.157 8.541 8.874 1.00 1.00 O ATOM 946 OD2 ASP A 63 1.271 10.225 9.884 1.00 1.00 O ATOM 0 H ASP A 63 0.236 9.802 4.772 1.00 1.00 H new ATOM 0 HA ASP A 63 2.418 8.805 6.445 1.00 1.00 H new ATOM 0 HB2 ASP A 63 1.812 11.104 7.334 1.00 1.00 H new ATOM 0 HB3 ASP A 63 0.161 10.555 7.544 1.00 1.00 H new ATOM 951 N ILE A 64 0.519 7.041 5.731 1.00 1.00 N ATOM 952 CA ILE A 64 -0.349 5.873 5.819 1.00 1.00 C ATOM 953 C ILE A 64 0.287 4.800 6.701 1.00 1.00 C ATOM 954 O ILE A 64 1.441 4.428 6.503 1.00 1.00 O ATOM 955 CB ILE A 64 -0.607 5.302 4.425 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.356 6.341 3.584 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.450 4.029 4.539 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.703 6.668 4.238 1.00 1.00 C ATOM 0 H ILE A 64 1.183 7.018 4.957 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.296 6.182 6.263 1.00 1.00 H new ATOM 0 HB ILE A 64 0.343 5.062 3.947 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.757 7.247 3.492 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.515 5.959 2.575 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.633 3.623 3.544 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.916 3.292 5.139 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.402 4.264 5.015 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.230 7.407 3.635 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.304 5.761 4.307 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.534 7.069 5.238 1.00 1.00 H new ATOM 970 N SER A 65 -0.475 4.305 7.666 1.00 1.00 N ATOM 971 CA SER A 65 0.010 3.271 8.570 1.00 1.00 C ATOM 972 C SER A 65 0.419 2.025 7.784 1.00 1.00 C ATOM 973 O SER A 65 0.496 2.052 6.558 1.00 1.00 O ATOM 974 CB SER A 65 -1.060 2.907 9.594 1.00 1.00 C ATOM 975 OG SER A 65 -1.601 1.633 9.279 1.00 1.00 O ATOM 0 H SER A 65 -1.434 4.603 7.844 1.00 1.00 H new ATOM 0 HA SER A 65 0.881 3.661 9.096 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.631 2.894 10.596 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.849 3.659 9.595 1.00 1.00 H new ATOM 0 HG SER A 65 -2.034 1.256 10.073 1.00 1.00 H new ATOM 981 N THR A 66 0.682 0.942 8.505 1.00 1.00 N ATOM 982 CA THR A 66 1.082 -0.310 7.872 1.00 1.00 C ATOM 983 C THR A 66 0.109 -0.676 6.753 1.00 1.00 C ATOM 984 O THR A 66 -0.778 0.100 6.404 1.00 1.00 O ATOM 985 CB THR A 66 1.118 -1.434 8.909 1.00 1.00 C ATOM 986 OG1 THR A 66 1.229 -2.686 8.246 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.167 -1.408 9.741 1.00 1.00 C ATOM 0 H THR A 66 0.626 0.904 9.523 1.00 1.00 H new ATOM 0 HA THR A 66 2.077 -0.180 7.447 1.00 1.00 H new ATOM 0 HB THR A 66 1.976 -1.293 9.566 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.407 -3.202 8.382 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.139 -2.210 10.479 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.251 -0.448 10.251 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.027 -1.548 9.086 1.00 1.00 H new ATOM 995 N ILE A 67 0.281 -1.869 6.196 1.00 1.00 N ATOM 996 CA ILE A 67 -0.576 -2.327 5.113 1.00 1.00 C ATOM 997 C ILE A 67 -2.027 -2.407 5.566 1.00 1.00 C ATOM 998 O ILE A 67 -2.944 -2.361 4.743 1.00 1.00 O ATOM 999 CB ILE A 67 -0.109 -3.703 4.618 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.239 -3.560 3.904 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.141 -4.277 3.647 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.839 -4.948 3.670 1.00 1.00 C ATOM 0 H ILE A 67 1.003 -2.533 6.476 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.508 -1.608 4.297 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.000 -4.375 5.470 1.00 1.00 H new ATOM 0 HG12 ILE A 67 1.107 -3.044 2.953 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.918 -2.954 4.504 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -0.807 -5.254 3.297 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.100 -4.382 4.155 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.253 -3.605 2.796 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.798 -4.849 3.162 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.986 -5.447 4.628 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.161 -5.538 3.053 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.226 -2.541 6.868 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.573 -2.651 7.406 1.00 1.00 C ATOM 1016 C GLN A 68 -4.400 -1.422 7.065 1.00 1.00 C ATOM 1017 O GLN A 68 -5.493 -1.537 6.510 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.504 -2.806 8.937 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.105 -4.243 9.292 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.333 -5.151 9.255 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -4.776 -5.588 8.108 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -4.906 -5.458 10.299 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.482 -2.576 7.565 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.049 -3.525 6.960 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.780 -2.104 9.351 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.470 -2.566 9.381 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.354 -4.605 8.590 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.653 -4.269 10.284 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.556 -5.114 11.193 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.731 -6.057 10.271 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.873 -0.249 7.392 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.575 0.994 7.114 1.00 1.00 C ATOM 1033 C GLN A 69 -4.649 1.256 5.617 1.00 1.00 C ATOM 1034 O GLN A 69 -5.669 1.717 5.106 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.864 2.162 7.805 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.641 3.455 7.558 1.00 1.00 C ATOM 1037 CD GLN A 69 -4.075 4.580 8.417 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -4.038 4.467 9.643 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.624 5.663 7.845 1.00 1.00 N ATOM 0 H GLN A 69 -2.967 -0.134 7.847 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.590 0.904 7.500 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.786 1.971 8.875 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.847 2.259 7.424 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.583 3.727 6.504 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -5.695 3.305 7.791 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.656 5.754 6.830 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.240 6.418 8.413 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.560 0.959 4.919 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.509 1.177 3.478 1.00 1.00 C ATOM 1050 C ALA A 70 -4.651 0.452 2.782 1.00 1.00 C ATOM 1051 O ALA A 70 -5.363 1.039 1.965 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.175 0.675 2.924 1.00 1.00 C ATOM 0 H ALA A 70 -2.707 0.570 5.322 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.606 2.246 3.289 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.143 0.841 1.847 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.357 1.216 3.399 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.073 -0.390 3.130 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.826 -0.822 3.110 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.888 -1.615 2.505 1.00 1.00 C ATOM 1060 C ALA A 71 -7.254 -1.021 2.822 1.00 1.00 C ATOM 1061 O ALA A 71 -8.125 -0.946 1.956 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.826 -3.053 3.030 1.00 1.00 C ATOM 0 H ALA A 71 -4.251 -1.325 3.786 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.745 -1.610 1.424 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.622 -3.641 2.574 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.861 -3.491 2.777 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.951 -3.051 4.113 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.434 -0.592 4.067 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.699 -0.005 4.485 1.00 1.00 C ATOM 1070 C ASP A 72 -8.963 1.299 3.742 1.00 1.00 C ATOM 1071 O ASP A 72 -10.090 1.578 3.335 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.679 0.260 5.992 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.012 0.852 6.439 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.822 1.154 5.577 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.207 0.989 7.635 1.00 1.00 O ATOM 0 H ASP A 72 -6.725 -0.640 4.798 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.497 -0.709 4.249 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.486 -0.668 6.530 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.868 0.945 6.238 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.915 2.095 3.569 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.043 3.367 2.877 1.00 1.00 C ATOM 1082 C VAL A 73 -8.436 3.158 1.417 1.00 1.00 C ATOM 1083 O VAL A 73 -9.305 3.855 0.893 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.721 4.137 2.944 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.774 5.344 1.997 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.488 4.628 4.376 1.00 1.00 C ATOM 0 H VAL A 73 -6.973 1.882 3.897 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.827 3.942 3.370 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.907 3.477 2.644 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.831 5.888 2.048 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.938 4.999 0.976 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.590 6.003 2.293 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.547 5.176 4.424 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.306 5.284 4.673 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.445 3.773 5.051 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.795 2.192 0.776 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.089 1.897 -0.618 1.00 1.00 C ATOM 1098 C ILE A 74 -9.536 1.457 -0.786 1.00 1.00 C ATOM 1099 O ILE A 74 -10.213 1.878 -1.725 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.156 0.798 -1.131 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.741 1.362 -1.310 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.667 0.251 -2.466 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.735 0.210 -1.406 1.00 1.00 C ATOM 0 H ILE A 74 -7.074 1.604 1.194 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.932 2.807 -1.197 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.133 -0.013 -0.403 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.694 1.975 -2.210 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.488 2.010 -0.470 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.995 -0.530 -2.820 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.666 -0.164 -2.331 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.705 1.057 -3.199 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.731 0.614 -1.533 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.774 -0.384 -0.493 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.984 -0.420 -2.260 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.999 0.611 0.122 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.371 0.125 0.061 1.00 1.00 C ATOM 1117 C GLU A 75 -12.342 1.280 -0.148 1.00 1.00 C ATOM 1118 O GLU A 75 -13.247 1.196 -0.977 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.721 -0.612 1.360 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.133 -2.024 1.326 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.400 -2.732 2.647 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.930 -2.095 3.542 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.081 -3.900 2.739 1.00 1.00 O ATOM 0 H GLU A 75 -9.452 0.249 0.903 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.456 -0.561 -0.782 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.329 -0.065 2.217 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.803 -0.661 1.481 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.573 -2.590 0.505 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.060 -1.975 1.140 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.151 2.352 0.608 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.018 3.520 0.496 1.00 1.00 C ATOM 1132 C GLY A 76 -12.887 4.164 -0.880 1.00 1.00 C ATOM 1133 O GLY A 76 -13.882 4.569 -1.482 1.00 1.00 O ATOM 0 H GLY A 76 -11.409 2.439 1.302 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.054 3.227 0.668 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.760 4.245 1.268 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.658 4.252 -1.371 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.410 4.843 -2.681 1.00 1.00 C ATOM 1139 C LEU A 77 -12.080 4.028 -3.777 1.00 1.00 C ATOM 1140 O LEU A 77 -12.639 4.581 -4.724 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.911 4.913 -2.943 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.279 5.984 -2.048 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.749 5.866 -2.102 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.706 7.377 -2.539 1.00 1.00 C ATOM 0 H LEU A 77 -10.822 3.925 -0.887 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.830 5.849 -2.688 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.452 3.944 -2.746 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.726 5.146 -3.992 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.614 5.842 -1.021 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.302 6.629 -1.464 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.448 4.879 -1.752 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.409 6.006 -3.128 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.257 8.140 -1.903 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.372 7.519 -3.567 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.792 7.461 -2.495 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.022 2.709 -3.645 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.625 1.822 -4.634 1.00 1.00 C ATOM 1158 C LEU A 78 -14.123 2.071 -4.730 1.00 1.00 C ATOM 1159 O LEU A 78 -14.703 1.997 -5.814 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.364 0.363 -4.249 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.938 -0.029 -4.648 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.521 -1.288 -3.885 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.888 -0.308 -6.157 1.00 1.00 C ATOM 0 H LEU A 78 -11.566 2.231 -2.868 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.175 2.025 -5.606 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.501 0.230 -3.176 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.083 -0.288 -4.746 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.257 0.786 -4.404 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.506 -1.566 -4.169 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.557 -1.093 -2.813 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.202 -2.103 -4.128 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.874 -0.587 -6.442 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.570 -1.123 -6.399 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.185 0.588 -6.703 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.746 2.354 -3.592 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.180 2.605 -3.566 1.00 1.00 C ATOM 1177 C GLU A 79 -16.502 3.929 -4.252 1.00 1.00 C ATOM 1178 O GLU A 79 -17.255 3.970 -5.223 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.671 2.646 -2.115 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.491 1.269 -1.474 1.00 1.00 C ATOM 1181 CD GLU A 79 -17.449 0.269 -2.112 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -18.427 0.706 -2.697 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -17.195 -0.919 -2.002 1.00 1.00 O ATOM 0 H GLU A 79 -14.285 2.415 -2.684 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.685 1.800 -4.100 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.114 3.396 -1.553 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.721 2.939 -2.084 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.462 0.931 -1.600 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -16.677 1.330 -0.402 1.00 1.00 H new