USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -1.38 USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= 0.731 (180deg=0.457) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.51 K(o=-2.5,f=-3.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= -3.09! (180deg=-3.56!) USER MOD Single : A 49 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.51) USER MOD Single : A 51 GLN : amide:sc= -3.96! C(o=-4!,f=-6.1!) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0153) USER MOD Single : A 54 ASN : amide:sc= -2.05 X(o=-2.1,f=-1.7) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -159:sc= -4.74 (180deg=-5.55!) USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.424) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 86:sc= 1 USER MOD Single : A 69 THR OG1 : rot 89:sc= -0.467 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 159:sc= -5.61 (180deg=-6.01!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.27) USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= -0.0222 (180deg=-0.649) USER MOD Single : A 80 TYR OH : rot 180:sc= -2.19 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 160:sc= -1.47 USER MOD Single : A 92 SER OG : rot 78:sc= 0.342 USER MOD Single : A 95 GLN : amide:sc= -0.246 K(o=-0.25,f=-1.5) USER MOD Single : A 96 LYS NZ :NH3+ 149:sc= -0.206 (180deg=-1.02) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= -0.62 (180deg=-0.62) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.35 X(o=0.35,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -4.908 -26.941 2.637 1.00 0.00 N ATOM 2 CA GLN A 16 -4.209 -26.287 1.536 1.00 0.00 C ATOM 3 C GLN A 16 -5.193 -25.588 0.604 1.00 0.00 C ATOM 4 O GLN A 16 -5.841 -26.229 -0.225 1.00 0.00 O ATOM 5 CB GLN A 16 -3.384 -27.309 0.753 1.00 0.00 C ATOM 6 CG GLN A 16 -2.066 -27.667 1.421 1.00 0.00 C ATOM 7 CD GLN A 16 -0.958 -26.690 1.084 1.00 0.00 C ATOM 8 OE1 GLN A 16 -0.396 -26.041 1.966 1.00 0.00 O ATOM 9 NE2 GLN A 16 -0.637 -26.578 -0.200 1.00 0.00 N ATOM 0 HA GLN A 16 -3.541 -25.535 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.974 -28.216 0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.182 -26.914 -0.243 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.206 -27.693 2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.768 -28.669 1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.128 -27.135 -0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.101 -25.935 -0.487 1.00 0.00 H new ATOM 18 N GLY A 17 -5.300 -24.271 0.744 1.00 0.00 N ATOM 19 CA GLY A 17 -6.206 -23.507 -0.094 1.00 0.00 C ATOM 20 C GLY A 17 -6.484 -22.122 0.464 1.00 0.00 C ATOM 21 O GLY A 17 -5.629 -21.240 0.385 1.00 0.00 O ATOM 0 H GLY A 17 -4.776 -23.719 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.781 -23.414 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.146 -24.049 -0.197 1.00 0.00 H new ATOM 25 N PRO A 18 -7.680 -21.894 1.036 1.00 0.00 N ATOM 26 CA PRO A 18 -8.048 -20.593 1.602 1.00 0.00 C ATOM 27 C PRO A 18 -7.332 -20.313 2.920 1.00 0.00 C ATOM 28 O PRO A 18 -6.395 -21.020 3.292 1.00 0.00 O ATOM 29 CB PRO A 18 -9.554 -20.721 1.827 1.00 0.00 C ATOM 30 CG PRO A 18 -9.780 -22.178 2.035 1.00 0.00 C ATOM 31 CD PRO A 18 -8.768 -22.884 1.174 1.00 0.00 C ATOM 0 HA PRO A 18 -7.770 -19.767 0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.876 -20.142 2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.116 -20.351 0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.654 -22.446 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.795 -22.459 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.416 -23.804 1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.187 -23.158 0.205 1.00 0.00 H new ATOM 39 N GLY A 19 -7.783 -19.280 3.625 1.00 0.00 N ATOM 40 CA GLY A 19 -7.175 -18.927 4.894 1.00 0.00 C ATOM 41 C GLY A 19 -6.164 -17.806 4.762 1.00 0.00 C ATOM 42 O GLY A 19 -6.429 -16.671 5.162 1.00 0.00 O ATOM 0 H GLY A 19 -8.558 -18.682 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.954 -18.628 5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.686 -19.805 5.315 1.00 0.00 H new ATOM 46 N SER A 20 -5.000 -18.123 4.202 1.00 0.00 N ATOM 47 CA SER A 20 -3.945 -17.134 4.020 1.00 0.00 C ATOM 48 C SER A 20 -4.419 -15.984 3.135 1.00 0.00 C ATOM 49 O SER A 20 -3.954 -14.852 3.269 1.00 0.00 O ATOM 50 CB SER A 20 -2.705 -17.786 3.406 1.00 0.00 C ATOM 51 OG SER A 20 -3.040 -18.516 2.238 1.00 0.00 O ATOM 0 H SER A 20 -4.765 -19.057 3.867 1.00 0.00 H new ATOM 0 HA SER A 20 -3.689 -16.732 5.000 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.970 -17.019 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.241 -18.451 4.134 1.00 0.00 H new ATOM 0 HG SER A 20 -2.231 -18.922 1.863 1.00 0.00 H new ATOM 57 N LEU A 21 -5.346 -16.282 2.230 1.00 0.00 N ATOM 58 CA LEU A 21 -5.880 -15.273 1.323 1.00 0.00 C ATOM 59 C LEU A 21 -6.519 -14.124 2.098 1.00 0.00 C ATOM 60 O LEU A 21 -6.484 -12.975 1.660 1.00 0.00 O ATOM 61 CB LEU A 21 -6.910 -15.900 0.379 1.00 0.00 C ATOM 62 CG LEU A 21 -6.319 -16.729 -0.763 1.00 0.00 C ATOM 63 CD1 LEU A 21 -7.285 -17.826 -1.180 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.979 -15.836 -1.948 1.00 0.00 C ATOM 0 H LEU A 21 -5.743 -17.213 2.106 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.052 -14.875 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.576 -16.536 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.521 -15.105 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.400 -17.197 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.848 -18.406 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.480 -18.481 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.221 -17.379 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.560 -16.442 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.883 -15.340 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.250 -15.086 -1.641 1.00 0.00 H new ATOM 76 N VAL A 22 -7.100 -14.441 3.250 1.00 0.00 N ATOM 77 CA VAL A 22 -7.746 -13.432 4.081 1.00 0.00 C ATOM 78 C VAL A 22 -6.744 -12.380 4.543 1.00 0.00 C ATOM 79 O VAL A 22 -6.967 -11.181 4.370 1.00 0.00 O ATOM 80 CB VAL A 22 -8.416 -14.061 5.316 1.00 0.00 C ATOM 81 CG1 VAL A 22 -9.187 -13.009 6.100 1.00 0.00 C ATOM 82 CG2 VAL A 22 -9.331 -15.202 4.898 1.00 0.00 C ATOM 0 H VAL A 22 -7.137 -15.387 3.629 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.511 -12.960 3.465 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.639 -14.465 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.654 -13.472 6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.503 -12.227 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.957 -12.573 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.798 -15.637 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.104 -14.822 4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.748 -15.966 4.383 1.00 0.00 H new ATOM 92 N LYS A 23 -5.638 -12.833 5.131 1.00 0.00 N ATOM 93 CA LYS A 23 -4.603 -11.926 5.615 1.00 0.00 C ATOM 94 C LYS A 23 -4.164 -10.970 4.512 1.00 0.00 C ATOM 95 O LYS A 23 -3.965 -9.778 4.748 1.00 0.00 O ATOM 96 CB LYS A 23 -3.402 -12.717 6.134 1.00 0.00 C ATOM 97 CG LYS A 23 -3.660 -13.411 7.460 1.00 0.00 C ATOM 98 CD LYS A 23 -3.082 -12.623 8.625 1.00 0.00 C ATOM 99 CE LYS A 23 -4.143 -11.774 9.304 1.00 0.00 C ATOM 100 NZ LYS A 23 -3.601 -10.464 9.761 1.00 0.00 N ATOM 0 H LYS A 23 -5.437 -13.821 5.283 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.020 -11.340 6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.120 -13.463 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.553 -12.042 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.733 -13.538 7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.221 -14.408 7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.646 -13.310 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.276 -11.982 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.968 -11.604 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.549 -12.316 10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.357 -9.916 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.830 -10.625 10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.236 -9.935 8.943 1.00 0.00 H new ATOM 114 N VAL A 24 -4.026 -11.502 3.303 1.00 0.00 N ATOM 115 CA VAL A 24 -3.623 -10.699 2.158 1.00 0.00 C ATOM 116 C VAL A 24 -4.640 -9.592 1.903 1.00 0.00 C ATOM 117 O VAL A 24 -4.279 -8.421 1.769 1.00 0.00 O ATOM 118 CB VAL A 24 -3.478 -11.562 0.889 1.00 0.00 C ATOM 119 CG1 VAL A 24 -3.001 -10.718 -0.285 1.00 0.00 C ATOM 120 CG2 VAL A 24 -2.527 -12.722 1.138 1.00 0.00 C ATOM 0 H VAL A 24 -4.188 -12.487 3.092 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.653 -10.259 2.391 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.458 -11.969 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.905 -11.347 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.723 -9.925 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.033 -10.277 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.437 -13.320 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.547 -12.335 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.915 -13.343 1.945 1.00 0.00 H new ATOM 130 N GLY A 25 -5.914 -9.968 1.852 1.00 0.00 N ATOM 131 CA GLY A 25 -6.964 -8.995 1.631 1.00 0.00 C ATOM 132 C GLY A 25 -6.992 -7.940 2.717 1.00 0.00 C ATOM 133 O GLY A 25 -7.233 -6.762 2.447 1.00 0.00 O ATOM 0 H GLY A 25 -6.236 -10.930 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.818 -8.516 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.928 -9.503 1.593 1.00 0.00 H new ATOM 137 N THR A 26 -6.731 -8.364 3.952 1.00 0.00 N ATOM 138 CA THR A 26 -6.715 -7.450 5.086 1.00 0.00 C ATOM 139 C THR A 26 -5.714 -6.326 4.844 1.00 0.00 C ATOM 140 O THR A 26 -6.025 -5.148 5.037 1.00 0.00 O ATOM 141 CB THR A 26 -6.363 -8.203 6.372 1.00 0.00 C ATOM 142 OG1 THR A 26 -6.596 -9.591 6.219 1.00 0.00 O ATOM 143 CG2 THR A 26 -7.152 -7.736 7.574 1.00 0.00 C ATOM 0 H THR A 26 -6.528 -9.335 4.190 1.00 0.00 H new ATOM 0 HA THR A 26 -7.709 -7.016 5.197 1.00 0.00 H new ATOM 0 HB THR A 26 -5.307 -7.996 6.548 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.677 -10.008 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.854 -8.311 8.451 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.956 -6.678 7.749 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.216 -7.882 7.390 1.00 0.00 H new ATOM 151 N LEU A 27 -4.515 -6.691 4.401 1.00 0.00 N ATOM 152 CA LEU A 27 -3.483 -5.704 4.114 1.00 0.00 C ATOM 153 C LEU A 27 -3.949 -4.776 3.004 1.00 0.00 C ATOM 154 O LEU A 27 -3.690 -3.574 3.038 1.00 0.00 O ATOM 155 CB LEU A 27 -2.172 -6.389 3.718 1.00 0.00 C ATOM 156 CG LEU A 27 -0.955 -5.466 3.655 1.00 0.00 C ATOM 157 CD1 LEU A 27 -0.566 -5.001 5.050 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.213 -6.170 2.982 1.00 0.00 C ATOM 0 H LEU A 27 -4.236 -7.658 4.234 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.302 -5.118 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.967 -7.188 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.305 -6.858 2.743 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.217 -4.590 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.302 -4.345 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.399 -4.459 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.322 -5.866 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.071 -5.498 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.475 -7.063 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.069 -6.454 1.968 1.00 0.00 H new ATOM 170 N LYS A 28 -4.663 -5.336 2.030 1.00 0.00 N ATOM 171 CA LYS A 28 -5.190 -4.542 0.929 1.00 0.00 C ATOM 172 C LYS A 28 -6.036 -3.407 1.489 1.00 0.00 C ATOM 173 O LYS A 28 -5.992 -2.276 1.002 1.00 0.00 O ATOM 174 CB LYS A 28 -6.023 -5.417 -0.012 1.00 0.00 C ATOM 175 CG LYS A 28 -5.552 -5.377 -1.456 1.00 0.00 C ATOM 176 CD LYS A 28 -6.290 -6.393 -2.315 1.00 0.00 C ATOM 177 CE LYS A 28 -7.364 -5.733 -3.163 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.790 -5.052 -4.356 1.00 0.00 N ATOM 0 H LYS A 28 -4.887 -6.330 1.983 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.361 -4.125 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.994 -6.447 0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.063 -5.094 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.706 -4.377 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.481 -5.576 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.580 -6.908 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.744 -7.150 -1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.084 -6.485 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.909 -5.008 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.531 -4.929 -5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.419 -4.121 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.019 -5.630 -4.748 1.00 0.00 H new ATOM 192 N LYS A 29 -6.787 -3.721 2.542 1.00 0.00 N ATOM 193 CA LYS A 29 -7.623 -2.732 3.202 1.00 0.00 C ATOM 194 C LYS A 29 -6.746 -1.677 3.860 1.00 0.00 C ATOM 195 O LYS A 29 -7.063 -0.488 3.836 1.00 0.00 O ATOM 196 CB LYS A 29 -8.523 -3.397 4.248 1.00 0.00 C ATOM 197 CG LYS A 29 -9.863 -3.851 3.695 1.00 0.00 C ATOM 198 CD LYS A 29 -9.707 -5.052 2.777 1.00 0.00 C ATOM 199 CE LYS A 29 -10.648 -4.968 1.587 1.00 0.00 C ATOM 200 NZ LYS A 29 -10.166 -3.994 0.568 1.00 0.00 N ATOM 0 H LYS A 29 -6.831 -4.653 2.953 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.260 -2.257 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.003 -4.257 4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.695 -2.697 5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.531 -4.105 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.329 -3.031 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.677 -5.111 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.906 -5.967 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.746 -5.953 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.641 -4.675 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.835 -3.965 -0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.097 -3.049 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.230 -4.287 0.223 1.00 0.00 H new ATOM 214 N ARG A 30 -5.627 -2.119 4.436 1.00 0.00 N ATOM 215 CA ARG A 30 -4.695 -1.204 5.082 1.00 0.00 C ATOM 216 C ARG A 30 -4.183 -0.183 4.072 1.00 0.00 C ATOM 217 O ARG A 30 -4.018 0.996 4.389 1.00 0.00 O ATOM 218 CB ARG A 30 -3.524 -1.976 5.693 1.00 0.00 C ATOM 219 CG ARG A 30 -3.952 -3.066 6.661 1.00 0.00 C ATOM 220 CD ARG A 30 -3.955 -2.566 8.098 1.00 0.00 C ATOM 221 NE ARG A 30 -4.099 -3.658 9.057 1.00 0.00 N ATOM 222 CZ ARG A 30 -3.853 -3.538 10.359 1.00 0.00 C ATOM 223 NH1 ARG A 30 -3.452 -2.377 10.863 1.00 0.00 N ATOM 224 NH2 ARG A 30 -4.010 -4.582 11.162 1.00 0.00 N ATOM 0 H ARG A 30 -5.348 -3.100 4.467 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.218 -0.680 5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.937 -2.424 4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.870 -1.276 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.948 -3.419 6.395 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.278 -3.918 6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.028 -2.029 8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.770 -1.855 8.233 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.406 -4.566 8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.331 -1.570 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.265 -2.292 11.862 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.319 -5.476 10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.822 -4.490 12.160 1.00 0.00 H new ATOM 238 N LEU A 31 -3.944 -0.645 2.848 1.00 0.00 N ATOM 239 CA LEU A 31 -3.465 0.225 1.783 1.00 0.00 C ATOM 240 C LEU A 31 -4.498 1.306 1.487 1.00 0.00 C ATOM 241 O LEU A 31 -4.174 2.492 1.422 1.00 0.00 O ATOM 242 CB LEU A 31 -3.169 -0.585 0.520 1.00 0.00 C ATOM 243 CG LEU A 31 -1.689 -0.886 0.277 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.512 -1.708 -0.990 1.00 0.00 C ATOM 245 CD2 LEU A 31 -0.891 0.408 0.191 1.00 0.00 C ATOM 0 H LEU A 31 -4.075 -1.618 2.571 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.541 0.700 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.712 -1.529 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.560 -0.043 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.313 -1.468 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.453 -1.912 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.052 -2.649 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.904 -1.152 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.160 0.177 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.269 1.015 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.992 0.960 1.125 1.00 0.00 H new ATOM 257 N ASP A 32 -5.750 0.887 1.322 1.00 0.00 N ATOM 258 CA ASP A 32 -6.836 1.821 1.050 1.00 0.00 C ATOM 259 C ASP A 32 -6.932 2.853 2.169 1.00 0.00 C ATOM 260 O ASP A 32 -7.183 4.033 1.923 1.00 0.00 O ATOM 261 CB ASP A 32 -8.163 1.072 0.911 1.00 0.00 C ATOM 262 CG ASP A 32 -8.504 0.764 -0.534 1.00 0.00 C ATOM 263 OD1 ASP A 32 -7.595 0.346 -1.282 1.00 0.00 O ATOM 264 OD2 ASP A 32 -9.680 0.939 -0.918 1.00 0.00 O ATOM 0 H ASP A 32 -6.036 -0.091 1.372 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.626 2.334 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.113 0.141 1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.962 1.669 1.351 1.00 0.00 H new ATOM 269 N LYS A 33 -6.711 2.396 3.398 1.00 0.00 N ATOM 270 CA LYS A 33 -6.753 3.274 4.561 1.00 0.00 C ATOM 271 C LYS A 33 -5.727 4.393 4.408 1.00 0.00 C ATOM 272 O LYS A 33 -6.008 5.554 4.707 1.00 0.00 O ATOM 273 CB LYS A 33 -6.484 2.470 5.838 1.00 0.00 C ATOM 274 CG LYS A 33 -6.205 3.330 7.063 1.00 0.00 C ATOM 275 CD LYS A 33 -7.389 4.218 7.405 1.00 0.00 C ATOM 276 CE LYS A 33 -6.939 5.523 8.041 1.00 0.00 C ATOM 277 NZ LYS A 33 -7.898 5.998 9.075 1.00 0.00 N ATOM 0 H LYS A 33 -6.501 1.421 3.614 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.745 3.719 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.345 1.833 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.633 1.811 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.973 2.689 7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.326 3.949 6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.960 4.430 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.056 3.691 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.957 5.386 8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.831 6.285 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.554 6.890 9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.830 6.153 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.982 5.283 9.825 1.00 0.00 H new ATOM 291 N PHE A 34 -4.539 4.033 3.930 1.00 0.00 N ATOM 292 CA PHE A 34 -3.477 5.008 3.726 1.00 0.00 C ATOM 293 C PHE A 34 -3.916 6.063 2.717 1.00 0.00 C ATOM 294 O PHE A 34 -3.706 7.258 2.921 1.00 0.00 O ATOM 295 CB PHE A 34 -2.201 4.315 3.240 1.00 0.00 C ATOM 296 CG PHE A 34 -1.591 3.394 4.259 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.525 3.760 5.594 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.083 2.162 3.880 1.00 0.00 C ATOM 299 CE1 PHE A 34 -0.964 2.914 6.532 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.521 1.312 4.814 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.461 1.689 6.141 1.00 0.00 C ATOM 0 H PHE A 34 -4.290 3.076 3.678 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.268 5.496 4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.427 3.746 2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.469 5.073 2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.916 4.717 5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.127 1.862 2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.919 3.211 7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.129 0.354 4.506 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.021 1.027 6.872 1.00 0.00 H new ATOM 311 N ASN A 35 -4.539 5.610 1.631 1.00 0.00 N ATOM 312 CA ASN A 35 -5.022 6.513 0.593 1.00 0.00 C ATOM 313 C ASN A 35 -5.935 7.578 1.192 1.00 0.00 C ATOM 314 O ASN A 35 -5.834 8.758 0.855 1.00 0.00 O ATOM 315 CB ASN A 35 -5.768 5.730 -0.490 1.00 0.00 C ATOM 316 CG ASN A 35 -4.971 5.616 -1.774 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.233 6.530 -2.144 1.00 0.00 O ATOM 318 ND2 ASN A 35 -5.116 4.491 -2.463 1.00 0.00 N ATOM 0 H ASN A 35 -4.720 4.623 1.449 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.162 7.006 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.998 4.731 -0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.719 6.220 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.605 4.358 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.738 3.759 -2.120 1.00 0.00 H new ATOM 325 N GLU A 36 -6.821 7.153 2.089 1.00 0.00 N ATOM 326 CA GLU A 36 -7.744 8.072 2.742 1.00 0.00 C ATOM 327 C GLU A 36 -6.975 9.155 3.490 1.00 0.00 C ATOM 328 O GLU A 36 -7.207 10.349 3.296 1.00 0.00 O ATOM 329 CB GLU A 36 -8.659 7.315 3.708 1.00 0.00 C ATOM 330 CG GLU A 36 -10.086 7.170 3.206 1.00 0.00 C ATOM 331 CD GLU A 36 -10.754 5.904 3.705 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.049 4.885 3.863 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.980 5.930 3.936 1.00 0.00 O ATOM 0 H GLU A 36 -6.918 6.180 2.379 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.359 8.544 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.243 6.324 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.671 7.834 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.669 8.034 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.086 7.171 2.116 1.00 0.00 H new ATOM 340 N VAL A 37 -6.048 8.725 4.337 1.00 0.00 N ATOM 341 CA VAL A 37 -5.228 9.651 5.107 1.00 0.00 C ATOM 342 C VAL A 37 -4.441 10.567 4.180 1.00 0.00 C ATOM 343 O VAL A 37 -4.266 11.753 4.460 1.00 0.00 O ATOM 344 CB VAL A 37 -4.247 8.903 6.030 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.526 9.878 6.947 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.976 7.841 6.837 1.00 0.00 C ATOM 0 H VAL A 37 -5.845 7.740 4.508 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.904 10.245 5.723 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.502 8.406 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.838 9.331 7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.968 10.597 6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.255 10.407 7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.266 7.324 7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.745 8.313 7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.440 7.124 6.160 1.00 0.00 H new ATOM 356 N VAL A 38 -3.973 10.007 3.069 1.00 0.00 N ATOM 357 CA VAL A 38 -3.209 10.767 2.090 1.00 0.00 C ATOM 358 C VAL A 38 -4.100 11.766 1.362 1.00 0.00 C ATOM 359 O VAL A 38 -3.650 12.839 0.960 1.00 0.00 O ATOM 360 CB VAL A 38 -2.541 9.836 1.057 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.654 10.630 0.108 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.743 8.746 1.759 1.00 0.00 C ATOM 0 H VAL A 38 -4.111 9.026 2.825 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.433 11.306 2.634 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.324 9.360 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.193 9.953 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.257 11.368 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.876 11.139 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.279 8.099 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.969 9.202 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.409 8.156 2.389 1.00 0.00 H new ATOM 372 N SER A 39 -5.371 11.409 1.201 1.00 0.00 N ATOM 373 CA SER A 39 -6.325 12.280 0.529 1.00 0.00 C ATOM 374 C SER A 39 -6.698 13.458 1.423 1.00 0.00 C ATOM 375 O SER A 39 -7.052 14.532 0.938 1.00 0.00 O ATOM 376 CB SER A 39 -7.581 11.496 0.144 1.00 0.00 C ATOM 377 OG SER A 39 -8.074 11.908 -1.120 1.00 0.00 O ATOM 0 H SER A 39 -5.762 10.525 1.526 1.00 0.00 H new ATOM 0 HA SER A 39 -5.858 12.665 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.354 10.430 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.350 11.641 0.902 1.00 0.00 H new ATOM 0 HG SER A 39 -8.876 11.390 -1.343 1.00 0.00 H new ATOM 383 N ALA A 40 -6.616 13.246 2.734 1.00 0.00 N ATOM 384 CA ALA A 40 -6.945 14.289 3.699 1.00 0.00 C ATOM 385 C ALA A 40 -5.923 15.421 3.658 1.00 0.00 C ATOM 386 O ALA A 40 -6.269 16.585 3.854 1.00 0.00 O ATOM 387 CB ALA A 40 -7.028 13.700 5.099 1.00 0.00 C ATOM 0 H ALA A 40 -6.325 12.362 3.151 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.916 14.705 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.274 14.488 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.801 12.932 5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.068 13.257 5.365 1.00 0.00 H new ATOM 393 N LEU A 41 -4.666 15.072 3.401 1.00 0.00 N ATOM 394 CA LEU A 41 -3.600 16.067 3.335 1.00 0.00 C ATOM 395 C LEU A 41 -3.401 16.571 1.907 1.00 0.00 C ATOM 396 O LEU A 41 -2.840 17.645 1.692 1.00 0.00 O ATOM 397 CB LEU A 41 -2.293 15.486 3.876 1.00 0.00 C ATOM 398 CG LEU A 41 -1.645 14.412 2.999 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.451 14.983 2.250 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.226 13.217 3.841 1.00 0.00 C ATOM 0 H LEU A 41 -4.361 14.113 3.236 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.895 16.914 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.581 16.300 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.483 15.061 4.862 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.380 14.076 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.003 14.205 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.779 15.806 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.287 15.348 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.767 12.464 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.508 13.538 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.102 12.792 4.331 1.00 0.00 H new ATOM 412 N LYS A 42 -3.869 15.793 0.933 1.00 0.00 N ATOM 413 CA LYS A 42 -3.743 16.170 -0.473 1.00 0.00 C ATOM 414 C LYS A 42 -2.278 16.350 -0.859 1.00 0.00 C ATOM 415 O LYS A 42 -1.378 16.066 -0.070 1.00 0.00 O ATOM 416 CB LYS A 42 -4.520 17.459 -0.744 1.00 0.00 C ATOM 417 CG LYS A 42 -6.008 17.347 -0.451 1.00 0.00 C ATOM 418 CD LYS A 42 -6.309 17.630 1.013 1.00 0.00 C ATOM 419 CE LYS A 42 -7.806 17.662 1.276 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.333 19.053 1.316 1.00 0.00 N ATOM 0 H LYS A 42 -4.337 14.901 1.091 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.161 15.367 -1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.099 18.261 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.384 17.742 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.558 18.048 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.357 16.347 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.845 16.865 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.867 18.585 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.323 17.100 0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.019 17.166 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.357 19.031 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.858 19.583 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.153 19.519 0.404 1.00 0.00 H new ATOM 434 N ASP A 43 -2.047 16.823 -2.081 1.00 0.00 N ATOM 435 CA ASP A 43 -0.690 17.040 -2.573 1.00 0.00 C ATOM 436 C ASP A 43 0.064 15.719 -2.683 1.00 0.00 C ATOM 437 O ASP A 43 -0.216 14.772 -1.948 1.00 0.00 O ATOM 438 CB ASP A 43 0.064 17.999 -1.650 1.00 0.00 C ATOM 439 CG ASP A 43 0.823 19.064 -2.419 1.00 0.00 C ATOM 440 OD1 ASP A 43 0.186 20.039 -2.870 1.00 0.00 O ATOM 441 OD2 ASP A 43 2.055 18.924 -2.567 1.00 0.00 O ATOM 0 H ASP A 43 -2.781 17.063 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.756 17.484 -3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.643 18.478 -0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.762 17.432 -1.034 1.00 0.00 H new ATOM 446 N GLY A 44 1.016 15.661 -3.608 1.00 0.00 N ATOM 447 CA GLY A 44 1.792 14.449 -3.796 1.00 0.00 C ATOM 448 C GLY A 44 0.924 13.261 -4.164 1.00 0.00 C ATOM 449 O GLY A 44 1.257 12.119 -3.853 1.00 0.00 O ATOM 0 H GLY A 44 1.264 16.430 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.532 14.612 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.340 14.226 -2.881 1.00 0.00 H new ATOM 453 N LYS A 45 -0.195 13.536 -4.828 1.00 0.00 N ATOM 454 CA LYS A 45 -1.121 12.487 -5.241 1.00 0.00 C ATOM 455 C LYS A 45 -0.419 11.434 -6.096 1.00 0.00 C ATOM 456 O LYS A 45 -0.425 10.251 -5.759 1.00 0.00 O ATOM 457 CB LYS A 45 -2.295 13.091 -6.015 1.00 0.00 C ATOM 458 CG LYS A 45 -3.425 13.576 -5.122 1.00 0.00 C ATOM 459 CD LYS A 45 -4.070 12.425 -4.363 1.00 0.00 C ATOM 460 CE LYS A 45 -4.271 12.764 -2.893 1.00 0.00 C ATOM 461 NZ LYS A 45 -3.704 11.718 -1.998 1.00 0.00 N ATOM 0 H LYS A 45 -0.483 14.478 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.497 11.999 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.933 13.926 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.685 12.346 -6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.041 14.310 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.178 14.081 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.032 12.184 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.445 11.536 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.801 13.723 -2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.336 12.878 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.551 12.118 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.367 10.919 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.798 11.385 -2.384 1.00 0.00 H new ATOM 475 N PRO A 46 0.196 11.844 -7.221 1.00 0.00 N ATOM 476 CA PRO A 46 0.898 10.918 -8.116 1.00 0.00 C ATOM 477 C PRO A 46 1.959 10.102 -7.385 1.00 0.00 C ATOM 478 O PRO A 46 2.197 8.940 -7.715 1.00 0.00 O ATOM 479 CB PRO A 46 1.548 11.833 -9.165 1.00 0.00 C ATOM 480 CG PRO A 46 1.472 13.211 -8.596 1.00 0.00 C ATOM 481 CD PRO A 46 0.258 13.228 -7.714 1.00 0.00 C ATOM 0 HA PRO A 46 0.218 10.183 -8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.582 11.542 -9.352 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.022 11.773 -10.118 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.371 13.448 -8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.390 13.956 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.360 13.944 -6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.641 13.501 -8.267 1.00 0.00 H new ATOM 489 N GLU A 47 2.590 10.715 -6.388 1.00 0.00 N ATOM 490 CA GLU A 47 3.623 10.039 -5.610 1.00 0.00 C ATOM 491 C GLU A 47 3.023 8.904 -4.789 1.00 0.00 C ATOM 492 O GLU A 47 3.524 7.779 -4.804 1.00 0.00 O ATOM 493 CB GLU A 47 4.331 11.033 -4.688 1.00 0.00 C ATOM 494 CG GLU A 47 5.535 10.446 -3.969 1.00 0.00 C ATOM 495 CD GLU A 47 5.968 11.278 -2.779 1.00 0.00 C ATOM 496 OE1 GLU A 47 5.144 12.075 -2.280 1.00 0.00 O ATOM 497 OE2 GLU A 47 7.131 11.135 -2.345 1.00 0.00 O ATOM 0 H GLU A 47 2.405 11.676 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 47 4.351 9.619 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.653 11.894 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.620 11.399 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.296 9.437 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.366 10.361 -4.670 1.00 0.00 H new ATOM 504 N VAL A 48 1.945 9.207 -4.079 1.00 0.00 N ATOM 505 CA VAL A 48 1.265 8.218 -3.252 1.00 0.00 C ATOM 506 C VAL A 48 0.562 7.180 -4.113 1.00 0.00 C ATOM 507 O VAL A 48 0.797 5.988 -3.968 1.00 0.00 O ATOM 508 CB VAL A 48 0.235 8.882 -2.318 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.348 7.864 -1.350 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.866 10.043 -1.563 1.00 0.00 C ATOM 0 H VAL A 48 1.520 10.134 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 48 2.027 7.728 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.578 9.274 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.073 8.354 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.842 7.070 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.452 7.437 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.123 10.499 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.700 9.677 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.228 10.786 -2.274 1.00 0.00 H new ATOM 520 N ASN A 49 -0.297 7.632 -5.012 1.00 0.00 N ATOM 521 CA ASN A 49 -1.021 6.717 -5.886 1.00 0.00 C ATOM 522 C ASN A 49 -0.062 5.772 -6.609 1.00 0.00 C ATOM 523 O ASN A 49 -0.401 4.625 -6.883 1.00 0.00 O ATOM 524 CB ASN A 49 -1.849 7.499 -6.907 1.00 0.00 C ATOM 525 CG ASN A 49 -2.781 8.501 -6.252 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.360 8.230 -5.200 1.00 0.00 O ATOM 527 ND2 ASN A 49 -2.932 9.665 -6.873 1.00 0.00 N ATOM 0 H ASN A 49 -0.511 8.619 -5.157 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.689 6.120 -5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.179 8.022 -7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.434 6.802 -7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.548 10.377 -6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.432 9.847 -7.743 1.00 0.00 H new ATOM 534 N ARG A 50 1.136 6.266 -6.914 1.00 0.00 N ATOM 535 CA ARG A 50 2.143 5.469 -7.614 1.00 0.00 C ATOM 536 C ARG A 50 2.741 4.388 -6.713 1.00 0.00 C ATOM 537 O ARG A 50 2.870 3.230 -7.118 1.00 0.00 O ATOM 538 CB ARG A 50 3.256 6.380 -8.142 1.00 0.00 C ATOM 539 CG ARG A 50 4.414 5.627 -8.778 1.00 0.00 C ATOM 540 CD ARG A 50 5.421 6.578 -9.406 1.00 0.00 C ATOM 541 NE ARG A 50 5.853 6.127 -10.726 1.00 0.00 N ATOM 542 CZ ARG A 50 5.145 6.303 -11.840 1.00 0.00 C ATOM 543 NH1 ARG A 50 3.966 6.913 -11.795 1.00 0.00 N ATOM 544 NH2 ARG A 50 5.616 5.868 -13.001 1.00 0.00 N ATOM 0 H ARG A 50 1.434 7.215 -6.688 1.00 0.00 H new ATOM 0 HA ARG A 50 1.648 4.970 -8.448 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.834 7.066 -8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.637 6.987 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.910 5.017 -8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.032 4.946 -9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.978 7.571 -9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.289 6.670 -8.753 1.00 0.00 H new ATOM 0 HE ARG A 50 6.751 5.649 -10.799 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.599 7.249 -10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.427 7.046 -12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.521 5.399 -13.041 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.074 6.003 -13.854 1.00 0.00 H new ATOM 558 N GLN A 51 3.101 4.767 -5.493 1.00 0.00 N ATOM 559 CA GLN A 51 3.682 3.827 -4.543 1.00 0.00 C ATOM 560 C GLN A 51 2.603 2.892 -4.033 1.00 0.00 C ATOM 561 O GLN A 51 2.778 1.673 -3.974 1.00 0.00 O ATOM 562 CB GLN A 51 4.327 4.579 -3.374 1.00 0.00 C ATOM 563 CG GLN A 51 3.360 5.468 -2.611 1.00 0.00 C ATOM 564 CD GLN A 51 4.044 6.265 -1.517 1.00 0.00 C ATOM 565 OE1 GLN A 51 3.873 7.479 -1.419 1.00 0.00 O ATOM 566 NE2 GLN A 51 4.824 5.583 -0.688 1.00 0.00 N ATOM 0 H GLN A 51 3.001 5.718 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 51 4.455 3.245 -5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.763 3.856 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.146 5.190 -3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.875 6.153 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.575 4.852 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.937 4.576 -0.806 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.310 6.066 0.068 1.00 0.00 H new ATOM 575 N ILE A 52 1.478 3.487 -3.688 1.00 0.00 N ATOM 576 CA ILE A 52 0.330 2.756 -3.203 1.00 0.00 C ATOM 577 C ILE A 52 -0.110 1.716 -4.232 1.00 0.00 C ATOM 578 O ILE A 52 -0.581 0.636 -3.873 1.00 0.00 O ATOM 579 CB ILE A 52 -0.824 3.733 -2.890 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.430 4.647 -1.720 1.00 0.00 C ATOM 581 CG2 ILE A 52 -2.099 2.975 -2.584 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.590 5.075 -0.842 1.00 0.00 C ATOM 0 H ILE A 52 1.337 4.496 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 52 0.604 2.235 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.011 4.353 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.306 4.131 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.056 5.537 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.899 3.682 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.376 2.367 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.940 2.330 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.223 5.717 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.318 5.622 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.065 4.194 -0.411 1.00 0.00 H new ATOM 594 N LYS A 53 0.069 2.039 -5.514 1.00 0.00 N ATOM 595 CA LYS A 53 -0.289 1.117 -6.588 1.00 0.00 C ATOM 596 C LYS A 53 0.651 -0.078 -6.594 1.00 0.00 C ATOM 597 O LYS A 53 0.211 -1.226 -6.626 1.00 0.00 O ATOM 598 CB LYS A 53 -0.246 1.815 -7.949 1.00 0.00 C ATOM 599 CG LYS A 53 -1.304 1.320 -8.921 1.00 0.00 C ATOM 600 CD LYS A 53 -0.867 0.041 -9.616 1.00 0.00 C ATOM 601 CE LYS A 53 -1.858 -0.375 -10.690 1.00 0.00 C ATOM 602 NZ LYS A 53 -3.163 -0.795 -10.111 1.00 0.00 N ATOM 0 H LYS A 53 0.458 2.927 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.307 0.772 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.373 2.888 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.739 1.669 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.237 1.144 -8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.504 2.090 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.116 0.186 -10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.768 -0.758 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.017 0.455 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.439 -1.196 -11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.793 -1.119 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.009 -1.571 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.600 0.011 -9.620 1.00 0.00 H new ATOM 616 N ASN A 54 1.955 0.196 -6.560 1.00 0.00 N ATOM 617 CA ASN A 54 2.955 -0.868 -6.562 1.00 0.00 C ATOM 618 C ASN A 54 2.644 -1.897 -5.483 1.00 0.00 C ATOM 619 O ASN A 54 2.786 -3.100 -5.698 1.00 0.00 O ATOM 620 CB ASN A 54 4.357 -0.293 -6.341 1.00 0.00 C ATOM 621 CG ASN A 54 4.626 0.926 -7.201 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.138 1.026 -8.327 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.407 1.860 -6.673 1.00 0.00 N ATOM 0 H ASN A 54 2.340 1.140 -6.531 1.00 0.00 H new ATOM 0 HA ASN A 54 2.925 -1.357 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.475 -0.026 -5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.100 -1.060 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.625 2.703 -7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.790 1.735 -5.736 1.00 0.00 H new ATOM 630 N LEU A 55 2.206 -1.418 -4.323 1.00 0.00 N ATOM 631 CA LEU A 55 1.863 -2.307 -3.222 1.00 0.00 C ATOM 632 C LEU A 55 0.580 -3.060 -3.536 1.00 0.00 C ATOM 633 O LEU A 55 0.490 -4.267 -3.317 1.00 0.00 O ATOM 634 CB LEU A 55 1.715 -1.514 -1.918 1.00 0.00 C ATOM 635 CG LEU A 55 3.023 -1.021 -1.284 1.00 0.00 C ATOM 636 CD1 LEU A 55 3.507 -2.000 -0.227 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.101 -0.804 -2.340 1.00 0.00 C ATOM 0 H LEU A 55 2.081 -0.426 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 55 2.669 -3.030 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.078 -0.650 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.194 -2.139 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 55 2.821 -0.062 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.435 -1.633 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.751 -2.097 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.682 -2.973 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.015 -0.455 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.298 -1.743 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.761 -0.059 -3.059 1.00 0.00 H new ATOM 649 N GLU A 56 -0.403 -2.349 -4.081 1.00 0.00 N ATOM 650 CA GLU A 56 -1.665 -2.973 -4.456 1.00 0.00 C ATOM 651 C GLU A 56 -1.387 -4.110 -5.430 1.00 0.00 C ATOM 652 O GLU A 56 -2.024 -5.162 -5.385 1.00 0.00 O ATOM 653 CB GLU A 56 -2.604 -1.948 -5.095 1.00 0.00 C ATOM 654 CG GLU A 56 -3.493 -1.230 -4.093 1.00 0.00 C ATOM 655 CD GLU A 56 -4.660 -2.082 -3.636 1.00 0.00 C ATOM 656 OE1 GLU A 56 -5.578 -2.316 -4.447 1.00 0.00 O ATOM 657 OE2 GLU A 56 -4.654 -2.516 -2.464 1.00 0.00 O ATOM 0 H GLU A 56 -0.350 -1.348 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.151 -3.366 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.010 -1.211 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.232 -2.452 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.898 -0.940 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.872 -0.311 -4.541 1.00 0.00 H new ATOM 664 N ILE A 57 -0.402 -3.884 -6.294 1.00 0.00 N ATOM 665 CA ILE A 57 0.013 -4.869 -7.273 1.00 0.00 C ATOM 666 C ILE A 57 0.700 -6.039 -6.582 1.00 0.00 C ATOM 667 O ILE A 57 0.464 -7.199 -6.918 1.00 0.00 O ATOM 668 CB ILE A 57 0.980 -4.247 -8.294 1.00 0.00 C ATOM 669 CG1 ILE A 57 0.345 -3.012 -8.922 1.00 0.00 C ATOM 670 CG2 ILE A 57 1.365 -5.256 -9.364 1.00 0.00 C ATOM 671 CD1 ILE A 57 1.350 -1.957 -9.321 1.00 0.00 C ATOM 0 H ILE A 57 0.127 -3.013 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.876 -5.223 -7.794 1.00 0.00 H new ATOM 0 HB ILE A 57 1.891 -3.950 -7.774 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.224 -3.313 -9.802 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.364 -2.579 -8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.049 -4.791 -10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.852 -6.112 -8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.470 -5.589 -9.889 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.829 -1.106 -9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.902 -1.629 -8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.045 -2.374 -10.050 1.00 0.00 H new ATOM 683 N SER A 58 1.546 -5.722 -5.605 1.00 0.00 N ATOM 684 CA SER A 58 2.259 -6.752 -4.857 1.00 0.00 C ATOM 685 C SER A 58 1.267 -7.713 -4.207 1.00 0.00 C ATOM 686 O SER A 58 1.365 -8.931 -4.368 1.00 0.00 O ATOM 687 CB SER A 58 3.149 -6.114 -3.789 1.00 0.00 C ATOM 688 OG SER A 58 3.962 -7.086 -3.153 1.00 0.00 O ATOM 0 H SER A 58 1.753 -4.766 -5.315 1.00 0.00 H new ATOM 0 HA SER A 58 2.889 -7.311 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.779 -5.351 -4.245 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.528 -5.613 -3.046 1.00 0.00 H new ATOM 0 HG SER A 58 4.522 -6.652 -2.476 1.00 0.00 H new ATOM 694 N ILE A 59 0.302 -7.151 -3.485 1.00 0.00 N ATOM 695 CA ILE A 59 -0.721 -7.951 -2.824 1.00 0.00 C ATOM 696 C ILE A 59 -1.470 -8.801 -3.846 1.00 0.00 C ATOM 697 O ILE A 59 -1.678 -9.999 -3.645 1.00 0.00 O ATOM 698 CB ILE A 59 -1.728 -7.062 -2.069 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.994 -6.109 -1.125 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.722 -7.915 -1.296 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.611 -4.728 -1.062 1.00 0.00 C ATOM 0 H ILE A 59 0.208 -6.145 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.218 -8.597 -2.104 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.280 -6.471 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.983 -6.539 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.044 -6.020 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.424 -7.268 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.268 -8.556 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.187 -8.533 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.040 -4.105 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.598 -4.278 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.640 -4.805 -0.712 1.00 0.00 H new ATOM 713 N ASP A 60 -1.862 -8.171 -4.950 1.00 0.00 N ATOM 714 CA ASP A 60 -2.575 -8.865 -6.011 1.00 0.00 C ATOM 715 C ASP A 60 -1.718 -9.991 -6.577 1.00 0.00 C ATOM 716 O ASP A 60 -2.230 -11.049 -6.944 1.00 0.00 O ATOM 717 CB ASP A 60 -2.958 -7.888 -7.125 1.00 0.00 C ATOM 718 CG ASP A 60 -4.351 -7.317 -6.940 1.00 0.00 C ATOM 719 OD1 ASP A 60 -4.555 -6.549 -5.978 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.238 -7.641 -7.757 1.00 0.00 O ATOM 0 H ASP A 60 -1.697 -7.181 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.486 -9.293 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.235 -7.073 -7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.902 -8.398 -8.087 1.00 0.00 H new ATOM 725 N ALA A 61 -0.409 -9.761 -6.634 1.00 0.00 N ATOM 726 CA ALA A 61 0.517 -10.764 -7.142 1.00 0.00 C ATOM 727 C ALA A 61 0.400 -12.048 -6.333 1.00 0.00 C ATOM 728 O ALA A 61 0.246 -13.138 -6.889 1.00 0.00 O ATOM 729 CB ALA A 61 1.945 -10.238 -7.103 1.00 0.00 C ATOM 0 H ALA A 61 0.032 -8.891 -6.335 1.00 0.00 H new ATOM 0 HA ALA A 61 0.259 -10.982 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.624 -11.000 -7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.020 -9.342 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.215 -9.995 -6.075 1.00 0.00 H new ATOM 735 N LEU A 62 0.453 -11.912 -5.010 1.00 0.00 N ATOM 736 CA LEU A 62 0.334 -13.059 -4.126 1.00 0.00 C ATOM 737 C LEU A 62 -0.953 -13.818 -4.411 1.00 0.00 C ATOM 738 O LEU A 62 -0.927 -15.019 -4.662 1.00 0.00 O ATOM 739 CB LEU A 62 0.355 -12.607 -2.667 1.00 0.00 C ATOM 740 CG LEU A 62 1.732 -12.194 -2.150 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.822 -10.681 -2.008 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.039 -12.878 -0.826 1.00 0.00 C ATOM 0 H LEU A 62 0.577 -11.020 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 62 1.181 -13.721 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.330 -11.767 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.025 -13.417 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 62 2.478 -12.513 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.811 -10.408 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.656 -10.214 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.064 -10.336 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.024 -12.569 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.288 -12.596 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.025 -13.959 -0.963 1.00 0.00 H new ATOM 754 N MET A 63 -2.077 -13.101 -4.379 1.00 0.00 N ATOM 755 CA MET A 63 -3.386 -13.702 -4.632 1.00 0.00 C ATOM 756 C MET A 63 -3.347 -14.623 -5.847 1.00 0.00 C ATOM 757 O MET A 63 -3.713 -15.796 -5.759 1.00 0.00 O ATOM 758 CB MET A 63 -4.436 -12.609 -4.848 1.00 0.00 C ATOM 759 CG MET A 63 -5.839 -13.024 -4.436 1.00 0.00 C ATOM 760 SD MET A 63 -6.539 -11.956 -3.162 1.00 0.00 S ATOM 761 CE MET A 63 -5.173 -11.870 -2.006 1.00 0.00 C ATOM 0 H MET A 63 -2.106 -12.101 -4.180 1.00 0.00 H new ATOM 0 HA MET A 63 -3.654 -14.297 -3.759 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.147 -11.723 -4.283 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.444 -12.327 -5.901 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.488 -13.011 -5.311 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.817 -14.051 -4.071 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.545 -11.579 -1.024 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.692 -12.846 -1.937 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.449 -11.133 -2.353 1.00 0.00 H new ATOM 771 N ALA A 64 -2.890 -14.095 -6.975 1.00 0.00 N ATOM 772 CA ALA A 64 -2.795 -14.885 -8.194 1.00 0.00 C ATOM 773 C ALA A 64 -1.833 -16.054 -8.005 1.00 0.00 C ATOM 774 O ALA A 64 -1.943 -17.077 -8.679 1.00 0.00 O ATOM 775 CB ALA A 64 -2.350 -14.011 -9.358 1.00 0.00 C ATOM 0 H ALA A 64 -2.581 -13.128 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.782 -15.289 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.284 -14.616 -10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.074 -13.210 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.373 -13.580 -9.137 1.00 0.00 H new ATOM 781 N LYS A 65 -0.896 -15.896 -7.073 1.00 0.00 N ATOM 782 CA LYS A 65 0.078 -16.938 -6.780 1.00 0.00 C ATOM 783 C LYS A 65 -0.517 -17.977 -5.843 1.00 0.00 C ATOM 784 O LYS A 65 -0.126 -19.143 -5.860 1.00 0.00 O ATOM 785 CB LYS A 65 1.342 -16.332 -6.164 1.00 0.00 C ATOM 786 CG LYS A 65 2.268 -15.688 -7.182 1.00 0.00 C ATOM 787 CD LYS A 65 3.035 -14.522 -6.580 1.00 0.00 C ATOM 788 CE LYS A 65 4.339 -14.981 -5.945 1.00 0.00 C ATOM 789 NZ LYS A 65 5.283 -13.847 -5.733 1.00 0.00 N ATOM 0 H LYS A 65 -0.793 -15.053 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 65 0.347 -17.428 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.053 -15.585 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.887 -17.112 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.971 -16.432 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.686 -15.340 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.246 -13.785 -7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.418 -14.028 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.128 -15.461 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.809 -15.730 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.260 -14.180 -5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.080 -13.093 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.169 -13.476 -4.768 1.00 0.00 H new ATOM 803 N ILE A 66 -1.461 -17.542 -5.017 1.00 0.00 N ATOM 804 CA ILE A 66 -2.104 -18.436 -4.066 1.00 0.00 C ATOM 805 C ILE A 66 -3.065 -19.393 -4.763 1.00 0.00 C ATOM 806 O ILE A 66 -3.179 -20.559 -4.388 1.00 0.00 O ATOM 807 CB ILE A 66 -2.882 -17.672 -2.976 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.271 -16.295 -2.720 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.907 -18.483 -1.697 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.813 -16.329 -2.312 1.00 0.00 C ATOM 0 H ILE A 66 -1.796 -16.579 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.297 -18.998 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.903 -17.523 -3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.370 -15.692 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.844 -15.795 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.458 -17.938 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.394 -19.440 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.886 -18.656 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.457 -15.312 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.706 -16.902 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.225 -16.798 -3.101 1.00 0.00 H new ATOM 822 N LYS A 67 -3.766 -18.885 -5.772 1.00 0.00 N ATOM 823 CA LYS A 67 -4.732 -19.688 -6.512 1.00 0.00 C ATOM 824 C LYS A 67 -4.105 -20.329 -7.748 1.00 0.00 C ATOM 825 O LYS A 67 -4.558 -21.380 -8.205 1.00 0.00 O ATOM 826 CB LYS A 67 -5.927 -18.822 -6.923 1.00 0.00 C ATOM 827 CG LYS A 67 -7.241 -19.260 -6.294 1.00 0.00 C ATOM 828 CD LYS A 67 -7.790 -18.201 -5.351 1.00 0.00 C ATOM 829 CE LYS A 67 -9.259 -18.439 -5.035 1.00 0.00 C ATOM 830 NZ LYS A 67 -10.056 -17.184 -5.119 1.00 0.00 N ATOM 0 H LYS A 67 -3.683 -17.921 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.070 -20.490 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.728 -17.787 -6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.027 -18.847 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.970 -19.463 -7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.091 -20.192 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.213 -18.203 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.669 -17.215 -5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.665 -19.174 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.351 -18.861 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.051 -17.389 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.685 -16.491 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.989 -16.794 -6.081 1.00 0.00 H new ATOM 844 N SER A 68 -3.075 -19.694 -8.296 1.00 0.00 N ATOM 845 CA SER A 68 -2.411 -20.214 -9.486 1.00 0.00 C ATOM 846 C SER A 68 -1.053 -20.824 -9.156 1.00 0.00 C ATOM 847 O SER A 68 -0.173 -20.893 -10.012 1.00 0.00 O ATOM 848 CB SER A 68 -2.244 -19.107 -10.530 1.00 0.00 C ATOM 849 OG SER A 68 -3.372 -18.248 -10.547 1.00 0.00 O ATOM 0 H SER A 68 -2.683 -18.823 -7.938 1.00 0.00 H new ATOM 0 HA SER A 68 -3.043 -21.003 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.346 -18.529 -10.312 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.106 -19.550 -11.516 1.00 0.00 H new ATOM 0 HG SER A 68 -3.258 -17.545 -9.874 1.00 0.00 H new ATOM 855 N THR A 69 -0.895 -21.271 -7.915 1.00 0.00 N ATOM 856 CA THR A 69 0.349 -21.884 -7.464 1.00 0.00 C ATOM 857 C THR A 69 0.302 -22.171 -5.966 1.00 0.00 C ATOM 858 O THR A 69 -0.434 -21.524 -5.222 1.00 0.00 O ATOM 859 CB THR A 69 1.543 -20.984 -7.786 1.00 0.00 C ATOM 860 OG1 THR A 69 1.146 -19.631 -7.925 1.00 0.00 O ATOM 861 CG2 THR A 69 2.246 -21.379 -9.058 1.00 0.00 C ATOM 0 H THR A 69 -1.619 -21.219 -7.198 1.00 0.00 H new ATOM 0 HA THR A 69 0.468 -22.828 -7.995 1.00 0.00 H new ATOM 0 HB THR A 69 2.226 -21.104 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.183 -19.188 -7.052 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.084 -20.705 -9.235 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.615 -22.401 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.549 -21.317 -9.893 1.00 0.00 H new ATOM 869 N MET A 70 1.095 -23.146 -5.531 1.00 0.00 N ATOM 870 CA MET A 70 1.147 -23.519 -4.123 1.00 0.00 C ATOM 871 C MET A 70 2.090 -22.603 -3.351 1.00 0.00 C ATOM 872 O MET A 70 3.250 -22.944 -3.118 1.00 0.00 O ATOM 873 CB MET A 70 1.596 -24.975 -3.975 1.00 0.00 C ATOM 874 CG MET A 70 0.837 -25.940 -4.873 1.00 0.00 C ATOM 875 SD MET A 70 -0.555 -26.718 -4.034 1.00 0.00 S ATOM 876 CE MET A 70 -1.427 -27.439 -5.423 1.00 0.00 C ATOM 0 H MET A 70 1.710 -23.692 -6.134 1.00 0.00 H new ATOM 0 HA MET A 70 0.145 -23.411 -3.708 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.660 -25.043 -4.200 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.469 -25.282 -2.937 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.474 -25.405 -5.751 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.519 -26.712 -5.229 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.316 -27.958 -5.065 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.721 -26.651 -6.117 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.775 -28.147 -5.934 1.00 0.00 H new ATOM 886 N MET A 71 1.586 -21.438 -2.958 1.00 0.00 N ATOM 887 CA MET A 71 2.384 -20.471 -2.213 1.00 0.00 C ATOM 888 C MET A 71 2.378 -20.789 -0.721 1.00 0.00 C ATOM 889 O MET A 71 1.326 -20.791 -0.081 1.00 0.00 O ATOM 890 CB MET A 71 1.854 -19.054 -2.448 1.00 0.00 C ATOM 891 CG MET A 71 2.744 -18.214 -3.348 1.00 0.00 C ATOM 892 SD MET A 71 2.475 -16.445 -3.134 1.00 0.00 S ATOM 893 CE MET A 71 4.081 -15.929 -2.534 1.00 0.00 C ATOM 0 H MET A 71 0.628 -21.140 -3.143 1.00 0.00 H new ATOM 0 HA MET A 71 3.411 -20.533 -2.572 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.859 -19.116 -2.890 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.745 -18.551 -1.487 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.788 -18.447 -3.139 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.559 -18.483 -4.388 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.207 -14.860 -2.704 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.155 -16.138 -1.467 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.861 -16.475 -3.065 1.00 0.00 H new ATOM 903 N THR A 72 3.559 -21.054 -0.172 1.00 0.00 N ATOM 904 CA THR A 72 3.689 -21.368 1.244 1.00 0.00 C ATOM 905 C THR A 72 3.503 -20.114 2.091 1.00 0.00 C ATOM 906 O THR A 72 3.910 -19.022 1.696 1.00 0.00 O ATOM 907 CB THR A 72 5.057 -21.990 1.529 1.00 0.00 C ATOM 908 OG1 THR A 72 5.394 -22.937 0.531 1.00 0.00 O ATOM 909 CG2 THR A 72 5.130 -22.689 2.870 1.00 0.00 C ATOM 0 H THR A 72 4.439 -21.057 -0.687 1.00 0.00 H new ATOM 0 HA THR A 72 2.912 -22.086 1.506 1.00 0.00 H new ATOM 0 HB THR A 72 5.758 -21.156 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.273 -23.323 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.127 -23.107 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.923 -21.973 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.392 -23.491 2.903 1.00 0.00 H new ATOM 917 N ARG A 73 2.885 -20.276 3.258 1.00 0.00 N ATOM 918 CA ARG A 73 2.647 -19.152 4.159 1.00 0.00 C ATOM 919 C ARG A 73 3.940 -18.391 4.435 1.00 0.00 C ATOM 920 O ARG A 73 3.931 -17.171 4.597 1.00 0.00 O ATOM 921 CB ARG A 73 2.038 -19.644 5.474 1.00 0.00 C ATOM 922 CG ARG A 73 0.518 -19.676 5.466 1.00 0.00 C ATOM 923 CD ARG A 73 -0.011 -20.757 4.536 1.00 0.00 C ATOM 924 NE ARG A 73 -1.469 -20.846 4.576 1.00 0.00 N ATOM 925 CZ ARG A 73 -2.149 -21.461 5.542 1.00 0.00 C ATOM 926 NH1 ARG A 73 -1.507 -22.041 6.548 1.00 0.00 N ATOM 927 NH2 ARG A 73 -3.475 -21.493 5.500 1.00 0.00 N ATOM 0 H ARG A 73 2.541 -21.173 3.601 1.00 0.00 H new ATOM 0 HA ARG A 73 1.945 -18.473 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.413 -20.645 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.375 -18.999 6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.151 -19.853 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.134 -18.705 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.312 -20.548 3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.419 -21.719 4.816 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.997 -20.411 3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.488 -22.017 6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.033 -22.511 7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.972 -21.047 4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.997 -21.964 6.239 1.00 0.00 H new ATOM 941 N GLU A 74 5.052 -19.119 4.482 1.00 0.00 N ATOM 942 CA GLU A 74 6.354 -18.507 4.729 1.00 0.00 C ATOM 943 C GLU A 74 6.656 -17.452 3.672 1.00 0.00 C ATOM 944 O GLU A 74 7.031 -16.322 3.992 1.00 0.00 O ATOM 945 CB GLU A 74 7.450 -19.574 4.737 1.00 0.00 C ATOM 946 CG GLU A 74 8.831 -19.026 5.059 1.00 0.00 C ATOM 947 CD GLU A 74 9.599 -19.908 6.023 1.00 0.00 C ATOM 948 OE1 GLU A 74 9.881 -21.071 5.667 1.00 0.00 O ATOM 949 OE2 GLU A 74 9.918 -19.436 7.134 1.00 0.00 O ATOM 0 H GLU A 74 5.078 -20.130 4.353 1.00 0.00 H new ATOM 0 HA GLU A 74 6.328 -18.024 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.193 -20.341 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.479 -20.060 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.401 -18.922 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.731 -18.028 5.486 1.00 0.00 H new ATOM 956 N GLN A 75 6.477 -17.827 2.408 1.00 0.00 N ATOM 957 CA GLN A 75 6.717 -16.911 1.299 1.00 0.00 C ATOM 958 C GLN A 75 5.822 -15.685 1.427 1.00 0.00 C ATOM 959 O GLN A 75 6.216 -14.572 1.073 1.00 0.00 O ATOM 960 CB GLN A 75 6.459 -17.615 -0.035 1.00 0.00 C ATOM 961 CG GLN A 75 7.458 -17.246 -1.121 1.00 0.00 C ATOM 962 CD GLN A 75 8.282 -18.431 -1.585 1.00 0.00 C ATOM 963 OE1 GLN A 75 8.984 -19.060 -0.793 1.00 0.00 O ATOM 964 NE2 GLN A 75 8.200 -18.741 -2.873 1.00 0.00 N ATOM 0 H GLN A 75 6.167 -18.757 2.128 1.00 0.00 H new ATOM 0 HA GLN A 75 7.758 -16.590 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.487 -18.693 0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.454 -17.368 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.924 -16.825 -1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.125 -16.469 -0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.605 -18.191 -3.493 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.732 -19.529 -3.243 1.00 0.00 H new ATOM 973 N ILE A 76 4.616 -15.898 1.946 1.00 0.00 N ATOM 974 CA ILE A 76 3.662 -14.813 2.135 1.00 0.00 C ATOM 975 C ILE A 76 4.094 -13.915 3.287 1.00 0.00 C ATOM 976 O ILE A 76 3.881 -12.703 3.258 1.00 0.00 O ATOM 977 CB ILE A 76 2.245 -15.350 2.420 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.871 -16.439 1.412 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.232 -14.215 2.381 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.767 -15.938 -0.012 1.00 0.00 C ATOM 0 H ILE A 76 4.277 -16.813 2.243 1.00 0.00 H new ATOM 0 HA ILE A 76 3.640 -14.239 1.209 1.00 0.00 H new ATOM 0 HB ILE A 76 2.235 -15.789 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.616 -17.233 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.918 -16.880 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.236 -14.609 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.489 -13.472 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.244 -13.750 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.499 -16.765 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.001 -15.164 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.726 -15.523 -0.323 1.00 0.00 H new ATOM 992 N GLN A 77 4.707 -14.521 4.300 1.00 0.00 N ATOM 993 CA GLN A 77 5.178 -13.780 5.462 1.00 0.00 C ATOM 994 C GLN A 77 6.207 -12.735 5.048 1.00 0.00 C ATOM 995 O GLN A 77 6.117 -11.569 5.435 1.00 0.00 O ATOM 996 CB GLN A 77 5.786 -14.733 6.493 1.00 0.00 C ATOM 997 CG GLN A 77 5.558 -14.300 7.933 1.00 0.00 C ATOM 998 CD GLN A 77 4.087 -14.196 8.283 1.00 0.00 C ATOM 999 OE1 GLN A 77 3.544 -13.099 8.411 1.00 0.00 O ATOM 1000 NE2 GLN A 77 3.434 -15.342 8.443 1.00 0.00 N ATOM 0 H GLN A 77 4.888 -15.524 4.338 1.00 0.00 H new ATOM 0 HA GLN A 77 4.325 -13.272 5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.363 -15.727 6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.858 -14.814 6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.038 -15.013 8.603 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.036 -13.335 8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.924 -16.229 8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.442 -15.335 8.682 1.00 0.00 H new ATOM 1009 N LYS A 78 7.185 -13.154 4.253 1.00 0.00 N ATOM 1010 CA LYS A 78 8.218 -12.244 3.785 1.00 0.00 C ATOM 1011 C LYS A 78 7.614 -11.174 2.890 1.00 0.00 C ATOM 1012 O LYS A 78 7.901 -9.988 3.047 1.00 0.00 O ATOM 1013 CB LYS A 78 9.317 -13.007 3.040 1.00 0.00 C ATOM 1014 CG LYS A 78 10.653 -13.008 3.764 1.00 0.00 C ATOM 1015 CD LYS A 78 11.270 -11.618 3.795 1.00 0.00 C ATOM 1016 CE LYS A 78 12.067 -11.333 2.533 1.00 0.00 C ATOM 1017 NZ LYS A 78 11.259 -10.603 1.518 1.00 0.00 N ATOM 0 H LYS A 78 7.282 -14.114 3.922 1.00 0.00 H new ATOM 0 HA LYS A 78 8.667 -11.760 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.994 -14.037 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.449 -12.566 2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.516 -13.369 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.336 -13.699 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.483 -10.872 3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.920 -11.527 4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.949 -10.745 2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.421 -12.272 2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.886 -10.015 0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.762 -11.287 0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.564 -9.997 1.998 1.00 0.00 H new ATOM 1031 N GLU A 79 6.755 -11.590 1.963 1.00 0.00 N ATOM 1032 CA GLU A 79 6.101 -10.642 1.075 1.00 0.00 C ATOM 1033 C GLU A 79 5.354 -9.616 1.907 1.00 0.00 C ATOM 1034 O GLU A 79 5.325 -8.429 1.575 1.00 0.00 O ATOM 1035 CB GLU A 79 5.145 -11.359 0.118 1.00 0.00 C ATOM 1036 CG GLU A 79 5.666 -11.446 -1.308 1.00 0.00 C ATOM 1037 CD GLU A 79 5.446 -12.813 -1.927 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.714 -13.824 -1.244 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.007 -12.872 -3.095 1.00 0.00 O ATOM 0 H GLU A 79 6.500 -12.566 1.810 1.00 0.00 H new ATOM 0 HA GLU A 79 6.856 -10.139 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.959 -12.366 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.188 -10.838 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.171 -10.691 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.731 -11.215 -1.317 1.00 0.00 H new ATOM 1046 N TYR A 80 4.791 -10.072 3.022 1.00 0.00 N ATOM 1047 CA TYR A 80 4.095 -9.179 3.927 1.00 0.00 C ATOM 1048 C TYR A 80 5.096 -8.180 4.482 1.00 0.00 C ATOM 1049 O TYR A 80 4.776 -7.010 4.692 1.00 0.00 O ATOM 1050 CB TYR A 80 3.431 -9.956 5.068 1.00 0.00 C ATOM 1051 CG TYR A 80 2.172 -10.693 4.665 1.00 0.00 C ATOM 1052 CD1 TYR A 80 1.281 -10.149 3.747 1.00 0.00 C ATOM 1053 CD2 TYR A 80 1.874 -11.937 5.209 1.00 0.00 C ATOM 1054 CE1 TYR A 80 0.132 -10.822 3.382 1.00 0.00 C ATOM 1055 CE2 TYR A 80 0.726 -12.616 4.848 1.00 0.00 C ATOM 1056 CZ TYR A 80 -0.141 -12.056 3.936 1.00 0.00 C ATOM 1057 OH TYR A 80 -1.284 -12.732 3.576 1.00 0.00 O ATOM 0 H TYR A 80 4.806 -11.049 3.315 1.00 0.00 H new ATOM 0 HA TYR A 80 3.306 -8.658 3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.147 -10.674 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.191 -9.262 5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.491 -9.183 3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.550 -12.380 5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.549 -10.385 2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.509 -13.582 5.279 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.324 -13.585 4.056 1.00 0.00 H new ATOM 1067 N ASP A 81 6.328 -8.649 4.692 1.00 0.00 N ATOM 1068 CA ASP A 81 7.389 -7.791 5.192 1.00 0.00 C ATOM 1069 C ASP A 81 7.773 -6.772 4.129 1.00 0.00 C ATOM 1070 O ASP A 81 8.060 -5.617 4.442 1.00 0.00 O ATOM 1071 CB ASP A 81 8.611 -8.620 5.596 1.00 0.00 C ATOM 1072 CG ASP A 81 9.385 -7.990 6.737 1.00 0.00 C ATOM 1073 OD1 ASP A 81 8.998 -8.200 7.906 1.00 0.00 O ATOM 1074 OD2 ASP A 81 10.378 -7.284 6.461 1.00 0.00 O ATOM 0 H ASP A 81 6.609 -9.615 4.523 1.00 0.00 H new ATOM 0 HA ASP A 81 7.025 -7.266 6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.288 -9.619 5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.269 -8.736 4.735 1.00 0.00 H new ATOM 1079 N ALA A 82 7.756 -7.196 2.865 1.00 0.00 N ATOM 1080 CA ALA A 82 8.080 -6.295 1.771 1.00 0.00 C ATOM 1081 C ALA A 82 7.087 -5.142 1.749 1.00 0.00 C ATOM 1082 O ALA A 82 7.439 -4.001 1.447 1.00 0.00 O ATOM 1083 CB ALA A 82 8.071 -7.038 0.442 1.00 0.00 C ATOM 0 H ALA A 82 7.524 -8.147 2.580 1.00 0.00 H new ATOM 0 HA ALA A 82 9.083 -5.897 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.316 -6.346 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.809 -7.840 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.082 -7.461 0.268 1.00 0.00 H new ATOM 1089 N LEU A 83 5.844 -5.455 2.099 1.00 0.00 N ATOM 1090 CA LEU A 83 4.788 -4.457 2.150 1.00 0.00 C ATOM 1091 C LEU A 83 4.935 -3.605 3.405 1.00 0.00 C ATOM 1092 O LEU A 83 4.605 -2.419 3.404 1.00 0.00 O ATOM 1093 CB LEU A 83 3.415 -5.131 2.129 1.00 0.00 C ATOM 1094 CG LEU A 83 3.084 -5.885 0.838 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.512 -7.261 1.149 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.113 -5.081 -0.015 1.00 0.00 C ATOM 0 H LEU A 83 5.545 -6.397 2.352 1.00 0.00 H new ATOM 0 HA LEU A 83 4.873 -3.814 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.357 -5.829 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.651 -4.371 2.294 1.00 0.00 H new ATOM 0 HG LEU A 83 4.007 -6.020 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.284 -7.779 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.242 -7.839 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.600 -7.152 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.889 -5.632 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.192 -4.913 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.562 -4.121 -0.271 1.00 0.00 H new ATOM 1108 N VAL A 84 5.444 -4.215 4.475 1.00 0.00 N ATOM 1109 CA VAL A 84 5.645 -3.503 5.730 1.00 0.00 C ATOM 1110 C VAL A 84 6.764 -2.478 5.585 1.00 0.00 C ATOM 1111 O VAL A 84 6.720 -1.404 6.185 1.00 0.00 O ATOM 1112 CB VAL A 84 5.985 -4.469 6.883 1.00 0.00 C ATOM 1113 CG1 VAL A 84 6.131 -3.713 8.197 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.925 -5.556 7.001 1.00 0.00 C ATOM 0 H VAL A 84 5.723 -5.196 4.495 1.00 0.00 H new ATOM 0 HA VAL A 84 4.710 -2.996 5.969 1.00 0.00 H new ATOM 0 HB VAL A 84 6.940 -4.945 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.371 -4.415 8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.931 -2.978 8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.196 -3.204 8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.182 -6.228 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.955 -5.099 7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.878 -6.121 6.070 1.00 0.00 H new ATOM 1124 N LYS A 85 7.764 -2.817 4.776 1.00 0.00 N ATOM 1125 CA LYS A 85 8.893 -1.924 4.543 1.00 0.00 C ATOM 1126 C LYS A 85 8.467 -0.742 3.681 1.00 0.00 C ATOM 1127 O LYS A 85 8.735 0.413 4.011 1.00 0.00 O ATOM 1128 CB LYS A 85 10.038 -2.677 3.864 1.00 0.00 C ATOM 1129 CG LYS A 85 10.693 -3.723 4.755 1.00 0.00 C ATOM 1130 CD LYS A 85 11.221 -3.107 6.041 1.00 0.00 C ATOM 1131 CE LYS A 85 10.335 -3.453 7.228 1.00 0.00 C ATOM 1132 NZ LYS A 85 11.099 -3.468 8.505 1.00 0.00 N ATOM 0 H LYS A 85 7.815 -3.702 4.272 1.00 0.00 H new ATOM 0 HA LYS A 85 9.239 -1.551 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.659 -3.163 2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.794 -1.960 3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.970 -4.503 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.511 -4.201 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.235 -3.462 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.277 -2.024 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.524 -2.728 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.877 -4.429 7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.460 -3.708 9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.858 -4.177 8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.515 -2.529 8.672 1.00 0.00 H new ATOM 1146 N SER A 86 7.792 -1.044 2.578 1.00 0.00 N ATOM 1147 CA SER A 86 7.317 -0.010 1.667 1.00 0.00 C ATOM 1148 C SER A 86 6.214 0.815 2.320 1.00 0.00 C ATOM 1149 O SER A 86 6.138 2.029 2.131 1.00 0.00 O ATOM 1150 CB SER A 86 6.800 -0.639 0.371 1.00 0.00 C ATOM 1151 OG SER A 86 7.821 -0.695 -0.611 1.00 0.00 O ATOM 0 H SER A 86 7.562 -1.996 2.293 1.00 0.00 H new ATOM 0 HA SER A 86 8.153 0.648 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.430 -1.644 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.958 -0.059 -0.008 1.00 0.00 H new ATOM 0 HG SER A 86 7.466 -1.102 -1.429 1.00 0.00 H new ATOM 1157 N SER A 87 5.365 0.146 3.093 1.00 0.00 N ATOM 1158 CA SER A 87 4.267 0.816 3.779 1.00 0.00 C ATOM 1159 C SER A 87 4.799 1.761 4.851 1.00 0.00 C ATOM 1160 O SER A 87 4.398 2.922 4.920 1.00 0.00 O ATOM 1161 CB SER A 87 3.327 -0.213 4.409 1.00 0.00 C ATOM 1162 OG SER A 87 3.987 -0.955 5.422 1.00 0.00 O ATOM 0 H SER A 87 5.416 -0.859 3.260 1.00 0.00 H new ATOM 0 HA SER A 87 3.712 1.400 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.459 0.293 4.832 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.957 -0.891 3.640 1.00 0.00 H new ATOM 0 HG SER A 87 3.322 -1.362 6.015 1.00 0.00 H new ATOM 1168 N GLU A 88 5.705 1.258 5.683 1.00 0.00 N ATOM 1169 CA GLU A 88 6.293 2.061 6.749 1.00 0.00 C ATOM 1170 C GLU A 88 6.930 3.325 6.185 1.00 0.00 C ATOM 1171 O GLU A 88 6.763 4.416 6.730 1.00 0.00 O ATOM 1172 CB GLU A 88 7.336 1.247 7.515 1.00 0.00 C ATOM 1173 CG GLU A 88 6.733 0.281 8.522 1.00 0.00 C ATOM 1174 CD GLU A 88 6.614 0.884 9.909 1.00 0.00 C ATOM 1175 OE1 GLU A 88 7.645 1.340 10.449 1.00 0.00 O ATOM 1176 OE2 GLU A 88 5.491 0.902 10.455 1.00 0.00 O ATOM 0 H GLU A 88 6.048 0.298 5.640 1.00 0.00 H new ATOM 0 HA GLU A 88 5.497 2.351 7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.942 0.686 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.007 1.930 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.746 -0.028 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.348 -0.617 8.572 1.00 0.00 H new ATOM 1183 N ASP A 89 7.657 3.169 5.085 1.00 0.00 N ATOM 1184 CA ASP A 89 8.317 4.295 4.437 1.00 0.00 C ATOM 1185 C ASP A 89 7.290 5.255 3.845 1.00 0.00 C ATOM 1186 O ASP A 89 7.526 6.461 3.766 1.00 0.00 O ATOM 1187 CB ASP A 89 9.260 3.800 3.340 1.00 0.00 C ATOM 1188 CG ASP A 89 10.068 4.922 2.719 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.650 5.725 3.479 1.00 0.00 O ATOM 1190 OD2 ASP A 89 10.119 5.000 1.474 1.00 0.00 O ATOM 0 H ASP A 89 7.804 2.272 4.623 1.00 0.00 H new ATOM 0 HA ASP A 89 8.898 4.827 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.938 3.056 3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.679 3.302 2.564 1.00 0.00 H new ATOM 1195 N LEU A 90 6.151 4.712 3.431 1.00 0.00 N ATOM 1196 CA LEU A 90 5.086 5.519 2.845 1.00 0.00 C ATOM 1197 C LEU A 90 4.543 6.523 3.854 1.00 0.00 C ATOM 1198 O LEU A 90 4.395 7.706 3.548 1.00 0.00 O ATOM 1199 CB LEU A 90 3.959 4.618 2.336 1.00 0.00 C ATOM 1200 CG LEU A 90 2.736 5.353 1.785 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.145 4.594 0.607 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.694 5.542 2.877 1.00 0.00 C ATOM 0 H LEU A 90 5.941 3.716 3.490 1.00 0.00 H new ATOM 0 HA LEU A 90 5.503 6.074 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.357 3.972 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.637 3.970 3.151 1.00 0.00 H new ATOM 0 HG LEU A 90 3.051 6.336 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.276 5.131 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.892 4.508 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.843 3.598 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.830 6.067 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.382 4.568 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.122 6.127 3.691 1.00 0.00 H new ATOM 1214 N LEU A 91 4.257 6.047 5.059 1.00 0.00 N ATOM 1215 CA LEU A 91 3.743 6.915 6.114 1.00 0.00 C ATOM 1216 C LEU A 91 4.781 7.963 6.470 1.00 0.00 C ATOM 1217 O LEU A 91 4.479 9.153 6.568 1.00 0.00 O ATOM 1218 CB LEU A 91 3.373 6.110 7.360 1.00 0.00 C ATOM 1219 CG LEU A 91 2.786 4.729 7.085 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.591 3.961 8.385 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.470 4.850 6.331 1.00 0.00 C ATOM 0 H LEU A 91 4.371 5.070 5.331 1.00 0.00 H new ATOM 0 HA LEU A 91 2.842 7.403 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.264 5.993 7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.654 6.684 7.945 1.00 0.00 H new ATOM 0 HG LEU A 91 3.488 4.174 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.171 2.979 8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.552 3.843 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.910 4.511 9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.065 3.855 6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.760 5.424 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.640 5.358 5.382 1.00 0.00 H new ATOM 1233 N SER A 92 6.014 7.506 6.655 1.00 0.00 N ATOM 1234 CA SER A 92 7.118 8.396 6.992 1.00 0.00 C ATOM 1235 C SER A 92 7.290 9.465 5.917 1.00 0.00 C ATOM 1236 O SER A 92 7.492 10.642 6.222 1.00 0.00 O ATOM 1237 CB SER A 92 8.414 7.601 7.152 1.00 0.00 C ATOM 1238 OG SER A 92 8.291 6.621 8.170 1.00 0.00 O ATOM 0 H SER A 92 6.274 6.523 6.577 1.00 0.00 H new ATOM 0 HA SER A 92 6.887 8.885 7.938 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.667 7.119 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.233 8.279 7.393 1.00 0.00 H new ATOM 0 HG SER A 92 7.790 5.852 7.825 1.00 0.00 H new ATOM 1244 N ALA A 93 7.200 9.048 4.659 1.00 0.00 N ATOM 1245 CA ALA A 93 7.335 9.969 3.539 1.00 0.00 C ATOM 1246 C ALA A 93 6.168 10.949 3.508 1.00 0.00 C ATOM 1247 O ALA A 93 6.321 12.108 3.122 1.00 0.00 O ATOM 1248 CB ALA A 93 7.422 9.201 2.229 1.00 0.00 C ATOM 0 H ALA A 93 7.034 8.078 4.390 1.00 0.00 H new ATOM 0 HA ALA A 93 8.256 10.537 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.523 9.903 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.289 8.540 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.517 8.608 2.094 1.00 0.00 H new ATOM 1254 N LEU A 94 5.001 10.470 3.925 1.00 0.00 N ATOM 1255 CA LEU A 94 3.802 11.298 3.954 1.00 0.00 C ATOM 1256 C LEU A 94 3.932 12.396 5.002 1.00 0.00 C ATOM 1257 O LEU A 94 3.682 13.569 4.721 1.00 0.00 O ATOM 1258 CB LEU A 94 2.572 10.437 4.246 1.00 0.00 C ATOM 1259 CG LEU A 94 1.243 11.015 3.759 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.191 11.028 2.238 1.00 0.00 C ATOM 1261 CD2 LEU A 94 0.078 10.219 4.327 1.00 0.00 C ATOM 0 H LEU A 94 4.860 9.513 4.247 1.00 0.00 H new ATOM 0 HA LEU A 94 3.684 11.765 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.715 9.459 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.508 10.277 5.322 1.00 0.00 H new ATOM 0 HG LEU A 94 1.163 12.043 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.238 11.443 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.005 11.641 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.292 10.010 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.861 10.643 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.154 9.181 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.105 10.261 5.416 1.00 0.00 H new ATOM 1273 N GLN A 95 4.329 12.009 6.208 1.00 0.00 N ATOM 1274 CA GLN A 95 4.495 12.961 7.302 1.00 0.00 C ATOM 1275 C GLN A 95 5.453 14.075 6.902 1.00 0.00 C ATOM 1276 O GLN A 95 5.166 15.255 7.102 1.00 0.00 O ATOM 1277 CB GLN A 95 5.009 12.251 8.556 1.00 0.00 C ATOM 1278 CG GLN A 95 3.901 11.742 9.464 1.00 0.00 C ATOM 1279 CD GLN A 95 3.693 10.244 9.346 1.00 0.00 C ATOM 1280 OE1 GLN A 95 4.652 9.479 9.249 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.436 9.819 9.354 1.00 0.00 N ATOM 0 H GLN A 95 4.542 11.042 6.454 1.00 0.00 H new ATOM 0 HA GLN A 95 3.522 13.401 7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.637 11.412 8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.642 12.937 9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.140 11.992 10.498 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.971 12.255 9.219 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.672 10.489 9.436 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.234 8.822 9.278 1.00 0.00 H new ATOM 1290 N LYS A 96 6.585 13.699 6.322 1.00 0.00 N ATOM 1291 CA LYS A 96 7.562 14.681 5.878 1.00 0.00 C ATOM 1292 C LYS A 96 6.974 15.522 4.749 1.00 0.00 C ATOM 1293 O LYS A 96 7.336 16.684 4.569 1.00 0.00 O ATOM 1294 CB LYS A 96 8.847 13.993 5.412 1.00 0.00 C ATOM 1295 CG LYS A 96 8.625 12.975 4.307 1.00 0.00 C ATOM 1296 CD LYS A 96 9.935 12.356 3.848 1.00 0.00 C ATOM 1297 CE LYS A 96 9.964 12.161 2.342 1.00 0.00 C ATOM 1298 NZ LYS A 96 9.757 13.443 1.613 1.00 0.00 N ATOM 0 H LYS A 96 6.847 12.729 6.149 1.00 0.00 H new ATOM 0 HA LYS A 96 7.809 15.332 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.548 14.750 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.313 13.497 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.956 12.191 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.133 13.456 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.765 12.995 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.077 11.395 4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.921 11.728 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.190 11.450 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.271 13.416 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.742 13.578 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.113 14.232 2.190 1.00 0.00 H new ATOM 1312 N LYS A 97 6.056 14.918 3.994 1.00 0.00 N ATOM 1313 CA LYS A 97 5.405 15.599 2.883 1.00 0.00 C ATOM 1314 C LYS A 97 4.450 16.679 3.382 1.00 0.00 C ATOM 1315 O LYS A 97 4.542 17.836 2.971 1.00 0.00 O ATOM 1316 CB LYS A 97 4.648 14.594 2.016 1.00 0.00 C ATOM 1317 CG LYS A 97 4.337 15.106 0.619 1.00 0.00 C ATOM 1318 CD LYS A 97 4.363 13.983 -0.404 1.00 0.00 C ATOM 1319 CE LYS A 97 3.129 13.099 -0.296 1.00 0.00 C ATOM 1320 NZ LYS A 97 3.488 11.673 -0.056 1.00 0.00 N ATOM 0 H LYS A 97 5.748 13.956 4.135 1.00 0.00 H new ATOM 0 HA LYS A 97 6.179 16.078 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.237 13.680 1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.715 14.329 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.356 15.581 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.063 15.870 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.422 14.405 -1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.258 13.378 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.496 13.456 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.545 13.177 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.621 11.103 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.071 11.324 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.024 11.595 0.832 1.00 0.00 H new ATOM 1334 N LYS A 98 3.530 16.297 4.262 1.00 0.00 N ATOM 1335 CA LYS A 98 2.562 17.247 4.801 1.00 0.00 C ATOM 1336 C LYS A 98 3.258 18.329 5.618 1.00 0.00 C ATOM 1337 O LYS A 98 2.911 19.507 5.531 1.00 0.00 O ATOM 1338 CB LYS A 98 1.512 16.540 5.662 1.00 0.00 C ATOM 1339 CG LYS A 98 2.089 15.540 6.645 1.00 0.00 C ATOM 1340 CD LYS A 98 1.345 14.219 6.584 1.00 0.00 C ATOM 1341 CE LYS A 98 1.102 13.646 7.971 1.00 0.00 C ATOM 1342 NZ LYS A 98 -0.142 14.184 8.585 1.00 0.00 N ATOM 0 H LYS A 98 3.434 15.345 4.615 1.00 0.00 H new ATOM 0 HA LYS A 98 2.058 17.714 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.945 17.290 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.808 16.026 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.144 15.377 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.033 15.945 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.391 14.362 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.918 13.506 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.035 12.560 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.952 13.876 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.271 13.768 9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.069 15.218 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.957 13.942 7.986 1.00 0.00 H new ATOM 1356 N GLN A 99 4.246 17.924 6.408 1.00 0.00 N ATOM 1357 CA GLN A 99 4.994 18.861 7.238 1.00 0.00 C ATOM 1358 C GLN A 99 5.772 19.846 6.371 1.00 0.00 C ATOM 1359 O GLN A 99 5.947 21.007 6.739 1.00 0.00 O ATOM 1360 CB GLN A 99 5.952 18.106 8.160 1.00 0.00 C ATOM 1361 CG GLN A 99 5.343 17.739 9.503 1.00 0.00 C ATOM 1362 CD GLN A 99 6.391 17.419 10.551 1.00 0.00 C ATOM 1363 OE1 GLN A 99 6.428 18.034 11.616 1.00 0.00 O ATOM 1364 NE2 GLN A 99 7.251 16.452 10.251 1.00 0.00 N ATOM 0 H GLN A 99 4.548 16.953 6.491 1.00 0.00 H new ATOM 0 HA GLN A 99 4.284 19.420 7.847 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.282 17.196 7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.839 18.717 8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.723 18.564 9.854 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.686 16.878 9.377 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.183 15.969 9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.979 16.193 10.916 1.00 0.00 H new ATOM 1373 N GLN A 100 6.236 19.374 5.219 1.00 0.00 N ATOM 1374 CA GLN A 100 6.994 20.211 4.298 1.00 0.00 C ATOM 1375 C GLN A 100 6.071 21.131 3.504 1.00 0.00 C ATOM 1376 O GLN A 100 6.470 22.223 3.098 1.00 0.00 O ATOM 1377 CB GLN A 100 7.809 19.340 3.338 1.00 0.00 C ATOM 1378 CG GLN A 100 9.107 18.826 3.936 1.00 0.00 C ATOM 1379 CD GLN A 100 9.850 17.894 2.998 1.00 0.00 C ATOM 1380 OE1 GLN A 100 11.027 18.102 2.702 1.00 0.00 O ATOM 1381 NE2 GLN A 100 9.166 16.859 2.526 1.00 0.00 N ATOM 0 H GLN A 100 6.100 18.414 4.901 1.00 0.00 H new ATOM 0 HA GLN A 100 7.672 20.829 4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.201 18.491 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.035 19.916 2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.748 19.671 4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.892 18.303 4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.192 16.725 2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.614 16.198 1.892 1.00 0.00 H new ATOM 1390 N GLU A 101 4.837 20.685 3.287 1.00 0.00 N ATOM 1391 CA GLU A 101 3.857 21.468 2.540 1.00 0.00 C ATOM 1392 C GLU A 101 3.724 22.876 3.116 1.00 0.00 C ATOM 1393 O GLU A 101 3.075 23.078 4.143 1.00 0.00 O ATOM 1394 CB GLU A 101 2.497 20.771 2.553 1.00 0.00 C ATOM 1395 CG GLU A 101 2.354 19.694 1.488 1.00 0.00 C ATOM 1396 CD GLU A 101 0.907 19.352 1.196 1.00 0.00 C ATOM 1397 OE1 GLU A 101 0.213 20.185 0.575 1.00 0.00 O ATOM 1398 OE2 GLU A 101 0.467 18.251 1.588 1.00 0.00 O ATOM 0 H GLU A 101 4.491 19.784 3.618 1.00 0.00 H new ATOM 0 HA GLU A 101 4.208 21.549 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.337 20.324 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.715 21.517 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.837 20.030 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.878 18.795 1.813 1.00 0.00 H new ATOM 1405 N GLU A 102 4.343 23.843 2.448 1.00 0.00 N ATOM 1406 CA GLU A 102 4.299 25.231 2.893 1.00 0.00 C ATOM 1407 C GLU A 102 3.667 26.133 1.834 1.00 0.00 C ATOM 1408 O GLU A 102 3.093 27.174 2.157 1.00 0.00 O ATOM 1409 CB GLU A 102 5.708 25.728 3.227 1.00 0.00 C ATOM 1410 CG GLU A 102 6.755 25.330 2.199 1.00 0.00 C ATOM 1411 CD GLU A 102 8.165 25.645 2.653 1.00 0.00 C ATOM 1412 OE1 GLU A 102 8.432 26.817 2.993 1.00 0.00 O ATOM 1413 OE2 GLU A 102 9.005 24.721 2.667 1.00 0.00 O ATOM 0 H GLU A 102 4.882 23.691 1.595 1.00 0.00 H new ATOM 0 HA GLU A 102 3.682 25.273 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 102 5.690 26.814 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.001 25.336 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.672 24.262 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.554 25.849 1.262 1.00 0.00 H new ATOM 1420 N GLU A 103 3.780 25.733 0.571 1.00 0.00 N ATOM 1421 CA GLU A 103 3.220 26.513 -0.529 1.00 0.00 C ATOM 1422 C GLU A 103 1.753 26.162 -0.763 1.00 0.00 C ATOM 1423 O GLU A 103 0.994 26.968 -1.301 1.00 0.00 O ATOM 1424 CB GLU A 103 4.017 26.275 -1.812 1.00 0.00 C ATOM 1425 CG GLU A 103 5.523 26.311 -1.615 1.00 0.00 C ATOM 1426 CD GLU A 103 6.096 27.709 -1.748 1.00 0.00 C ATOM 1427 OE1 GLU A 103 5.800 28.557 -0.880 1.00 0.00 O ATOM 1428 OE2 GLU A 103 6.839 27.955 -2.720 1.00 0.00 O ATOM 0 H GLU A 103 4.253 24.876 0.284 1.00 0.00 H new ATOM 0 HA GLU A 103 3.284 27.566 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.738 25.307 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.738 27.030 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.766 25.915 -0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.997 25.657 -2.347 1.00 0.00 H new TER 1435 GLU A 103