USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 575 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -174:sc= -0.126 (180deg=-0.134) USER MOD Single : A 3 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.637) USER MOD Single : A 4 THR OG1 : rot -58:sc= 0.331 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.162 F(o=-0.74,f=-0.16) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 77:sc= 1.11 USER MOD Single : A 14 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.9!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -70:sc= 0.153 USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= -0.0791 (180deg=-0.576) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.31) USER MOD Single : A 33 THR OG1 : rot 50:sc= 0.172 USER MOD Single : A 34 LYS NZ :NH3+ -126:sc= -1.21 (180deg=-3.58!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -125:sc= -2.06 (180deg=-4.41!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.0286 (180deg=-0.344) USER MOD Single : A 52 SER OG : rot -26:sc= 1.01 USER MOD Single : A 53 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.0018) USER MOD Single : A 55 TYR OH : rot 165:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.00449) USER MOD Single : A 65 LYS NZ :NH3+ 135:sc= 0.0671 (180deg=-1.43!) USER MOD Single : A 71 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.015) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.0311 F(o=-0.54,f=-0.031) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.536 F(o=-2.5,f=-0.54) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.606 8.238 12.275 1.00 0.00 N ATOM 2 CA ALA A 1 8.532 7.213 12.386 1.00 0.00 C ATOM 3 C ALA A 1 7.933 6.970 11.002 1.00 0.00 C ATOM 4 O ALA A 1 7.071 6.136 10.823 1.00 0.00 O ATOM 5 CB ALA A 1 7.444 7.719 13.337 1.00 0.00 C ATOM 0 H1 ALA A 1 10.088 8.336 13.191 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.293 7.944 11.552 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.188 9.151 12.004 1.00 0.00 H new ATOM 0 HA ALA A 1 8.945 6.282 12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.656 6.970 13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.877 7.901 14.321 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.023 8.646 12.948 1.00 0.00 H new ATOM 13 N GLU A 2 8.386 7.703 10.022 1.00 0.00 N ATOM 14 CA GLU A 2 7.848 7.530 8.645 1.00 0.00 C ATOM 15 C GLU A 2 8.418 6.263 8.007 1.00 0.00 C ATOM 16 O GLU A 2 9.592 5.972 8.118 1.00 0.00 O ATOM 17 CB GLU A 2 8.230 8.745 7.800 1.00 0.00 C ATOM 18 CG GLU A 2 7.434 9.957 8.284 1.00 0.00 C ATOM 19 CD GLU A 2 7.849 11.196 7.491 1.00 0.00 C ATOM 20 OE1 GLU A 2 8.657 11.054 6.588 1.00 0.00 O ATOM 21 OE2 GLU A 2 7.349 12.265 7.798 1.00 0.00 O ATOM 0 H GLU A 2 9.108 8.417 10.117 1.00 0.00 H new ATOM 0 HA GLU A 2 6.763 7.439 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.299 8.940 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.021 8.553 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.366 9.776 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.610 10.118 9.348 1.00 0.00 H new ATOM 28 N LYS A 3 7.584 5.509 7.335 1.00 0.00 N ATOM 29 CA LYS A 3 8.044 4.250 6.674 1.00 0.00 C ATOM 30 C LYS A 3 7.558 4.244 5.228 1.00 0.00 C ATOM 31 O LYS A 3 6.500 4.753 4.926 1.00 0.00 O ATOM 32 CB LYS A 3 7.445 3.057 7.420 1.00 0.00 C ATOM 33 CG LYS A 3 7.931 3.050 8.875 1.00 0.00 C ATOM 34 CD LYS A 3 9.433 2.752 8.937 1.00 0.00 C ATOM 35 CE LYS A 3 9.812 2.344 10.359 1.00 0.00 C ATOM 36 NZ LYS A 3 11.265 2.026 10.406 1.00 0.00 N ATOM 0 H LYS A 3 6.592 5.715 7.215 1.00 0.00 H new ATOM 0 HA LYS A 3 9.132 4.188 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.357 3.109 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.732 2.128 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.726 4.015 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.382 2.301 9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.686 1.954 8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.002 3.631 8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.581 3.150 11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.228 1.478 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.447 1.345 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.560 1.614 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.805 2.897 10.583 1.00 0.00 H new ATOM 50 N THR A 4 8.331 3.683 4.330 1.00 0.00 N ATOM 51 CA THR A 4 7.922 3.650 2.890 1.00 0.00 C ATOM 52 C THR A 4 8.107 2.239 2.336 1.00 0.00 C ATOM 53 O THR A 4 9.128 1.611 2.544 1.00 0.00 O ATOM 54 CB THR A 4 8.793 4.629 2.104 1.00 0.00 C ATOM 55 OG1 THR A 4 10.148 4.200 2.143 1.00 0.00 O ATOM 56 CG2 THR A 4 8.678 6.020 2.726 1.00 0.00 C ATOM 0 H THR A 4 9.230 3.245 4.532 1.00 0.00 H new ATOM 0 HA THR A 4 6.874 3.934 2.798 1.00 0.00 H new ATOM 0 HB THR A 4 8.457 4.664 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.443 4.134 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.298 6.721 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.639 6.349 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.014 5.984 3.762 1.00 0.00 H new ATOM 64 N GLY A 5 7.118 1.744 1.632 1.00 0.00 N ATOM 65 CA GLY A 5 7.200 0.367 1.045 1.00 0.00 C ATOM 66 C GLY A 5 7.032 0.455 -0.473 1.00 0.00 C ATOM 67 O GLY A 5 6.135 1.108 -0.967 1.00 0.00 O ATOM 0 H GLY A 5 6.248 2.239 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.159 -0.089 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.425 -0.270 1.472 1.00 0.00 H new ATOM 71 N ILE A 6 7.893 -0.185 -1.222 1.00 0.00 N ATOM 72 CA ILE A 6 7.783 -0.122 -2.710 1.00 0.00 C ATOM 73 C ILE A 6 6.821 -1.205 -3.211 1.00 0.00 C ATOM 74 O ILE A 6 6.955 -2.368 -2.886 1.00 0.00 O ATOM 75 CB ILE A 6 9.171 -0.318 -3.320 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.034 0.915 -3.014 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.056 -0.490 -4.839 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.258 1.055 -1.501 1.00 0.00 C ATOM 0 H ILE A 6 8.666 -0.748 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 6 7.391 0.850 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 6 9.629 -1.210 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.994 0.829 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.548 1.811 -3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.049 -0.629 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.440 -1.362 -5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.596 0.398 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.872 1.934 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.296 1.164 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.765 0.167 -1.125 1.00 0.00 H new ATOM 90 N VAL A 7 5.848 -0.829 -3.998 1.00 0.00 N ATOM 91 CA VAL A 7 4.875 -1.830 -4.518 1.00 0.00 C ATOM 92 C VAL A 7 5.515 -2.658 -5.634 1.00 0.00 C ATOM 93 O VAL A 7 6.097 -2.123 -6.556 1.00 0.00 O ATOM 94 CB VAL A 7 3.653 -1.094 -5.069 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.712 -2.092 -5.748 1.00 0.00 C ATOM 96 CG2 VAL A 7 2.921 -0.402 -3.917 1.00 0.00 C ATOM 0 H VAL A 7 5.686 0.131 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 7 4.578 -2.498 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 7 3.974 -0.351 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.842 -1.564 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.235 -2.586 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.387 -2.838 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.049 0.124 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.601 -1.148 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.591 0.311 -3.436 1.00 0.00 H new ATOM 106 N ASN A 8 5.397 -3.961 -5.557 1.00 0.00 N ATOM 107 CA ASN A 8 5.981 -4.853 -6.608 1.00 0.00 C ATOM 108 C ASN A 8 4.879 -5.741 -7.188 1.00 0.00 C ATOM 109 O ASN A 8 4.404 -6.656 -6.547 1.00 0.00 O ATOM 110 CB ASN A 8 7.062 -5.730 -5.975 1.00 0.00 C ATOM 111 CG ASN A 8 7.891 -6.394 -7.076 1.00 0.00 C ATOM 112 OD1 ASN A 8 8.600 -5.651 -7.880 1.00 0.00 O flip ATOM 113 ND2 ASN A 8 7.891 -7.602 -7.204 1.00 0.00 N flip ATOM 0 H ASN A 8 4.916 -4.450 -4.802 1.00 0.00 H new ATOM 0 HA ASN A 8 6.417 -4.250 -7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.705 -5.127 -5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.604 -6.490 -5.342 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.336 -8.182 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.446 -8.037 -7.941 1.00 0.00 H new ATOM 120 N VAL A 9 4.477 -5.481 -8.402 1.00 0.00 N ATOM 121 CA VAL A 9 3.412 -6.309 -9.038 1.00 0.00 C ATOM 122 C VAL A 9 3.602 -6.269 -10.554 1.00 0.00 C ATOM 123 O VAL A 9 3.107 -7.113 -11.268 1.00 0.00 O ATOM 124 CB VAL A 9 2.031 -5.747 -8.681 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.781 -5.899 -7.180 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.973 -4.266 -9.057 1.00 0.00 C ATOM 0 H VAL A 9 4.842 -4.727 -8.984 1.00 0.00 H new ATOM 0 HA VAL A 9 3.480 -7.336 -8.678 1.00 0.00 H new ATOM 0 HB VAL A 9 1.267 -6.296 -9.231 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.798 -5.498 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.821 -6.954 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.545 -5.353 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.992 -3.865 -8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.741 -3.721 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.145 -4.155 -10.128 1.00 0.00 H new ATOM 136 N SER A 10 4.320 -5.288 -11.041 1.00 0.00 N ATOM 137 CA SER A 10 4.553 -5.163 -12.509 1.00 0.00 C ATOM 138 C SER A 10 3.236 -4.814 -13.213 1.00 0.00 C ATOM 139 O SER A 10 3.158 -3.862 -13.962 1.00 0.00 O ATOM 140 CB SER A 10 5.106 -6.483 -13.065 1.00 0.00 C ATOM 141 OG SER A 10 5.825 -6.219 -14.262 1.00 0.00 O ATOM 0 H SER A 10 4.759 -4.561 -10.476 1.00 0.00 H new ATOM 0 HA SER A 10 5.278 -4.370 -12.690 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.758 -6.956 -12.331 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.291 -7.179 -13.262 1.00 0.00 H new ATOM 0 HG SER A 10 6.182 -7.058 -14.621 1.00 0.00 H new ATOM 147 N SER A 11 2.207 -5.580 -12.979 1.00 0.00 N ATOM 148 CA SER A 11 0.900 -5.302 -13.630 1.00 0.00 C ATOM 149 C SER A 11 0.201 -4.146 -12.913 1.00 0.00 C ATOM 150 O SER A 11 0.218 -3.020 -13.368 1.00 0.00 O ATOM 151 CB SER A 11 0.029 -6.552 -13.536 1.00 0.00 C ATOM 152 OG SER A 11 0.626 -7.601 -14.294 1.00 0.00 O ATOM 0 H SER A 11 2.217 -6.391 -12.361 1.00 0.00 H new ATOM 0 HA SER A 11 1.060 -5.032 -14.674 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.079 -6.856 -12.495 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.972 -6.341 -13.912 1.00 0.00 H new ATOM 0 HG SER A 11 0.070 -8.405 -14.234 1.00 0.00 H new ATOM 158 N SER A 12 -0.415 -4.419 -11.797 1.00 0.00 N ATOM 159 CA SER A 12 -1.117 -3.342 -11.047 1.00 0.00 C ATOM 160 C SER A 12 -1.498 -3.857 -9.661 1.00 0.00 C ATOM 161 O SER A 12 -1.637 -5.046 -9.458 1.00 0.00 O ATOM 162 CB SER A 12 -2.384 -2.935 -11.798 1.00 0.00 C ATOM 163 OG SER A 12 -3.121 -2.016 -11.003 1.00 0.00 O ATOM 0 H SER A 12 -0.462 -5.345 -11.371 1.00 0.00 H new ATOM 0 HA SER A 12 -0.458 -2.479 -10.952 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.125 -2.481 -12.754 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.990 -3.814 -12.016 1.00 0.00 H new ATOM 0 HG SER A 12 -2.701 -1.132 -11.051 1.00 0.00 H new ATOM 169 N LEU A 13 -1.675 -2.973 -8.709 1.00 0.00 N ATOM 170 CA LEU A 13 -2.059 -3.403 -7.323 1.00 0.00 C ATOM 171 C LEU A 13 -3.354 -2.700 -6.916 1.00 0.00 C ATOM 172 O LEU A 13 -3.489 -1.499 -7.039 1.00 0.00 O ATOM 173 CB LEU A 13 -0.939 -3.032 -6.343 1.00 0.00 C ATOM 174 CG LEU A 13 -1.347 -3.393 -4.904 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.704 -4.885 -4.804 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.179 -3.079 -3.962 1.00 0.00 C ATOM 0 H LEU A 13 -1.570 -1.966 -8.831 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.211 -4.482 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.023 -3.558 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.726 -1.965 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.223 -2.808 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.990 -5.123 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.535 -5.106 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.840 -5.486 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.458 -3.332 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.692 -3.665 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.061 -2.017 -4.021 1.00 0.00 H new ATOM 188 N ASN A 14 -4.310 -3.445 -6.431 1.00 0.00 N ATOM 189 CA ASN A 14 -5.606 -2.834 -6.010 1.00 0.00 C ATOM 190 C ASN A 14 -5.486 -2.297 -4.582 1.00 0.00 C ATOM 191 O ASN A 14 -4.678 -2.758 -3.802 1.00 0.00 O ATOM 192 CB ASN A 14 -6.708 -3.892 -6.074 1.00 0.00 C ATOM 193 CG ASN A 14 -6.325 -5.091 -5.206 1.00 0.00 C ATOM 194 OD1 ASN A 14 -5.818 -4.932 -4.113 1.00 0.00 O ATOM 195 ND2 ASN A 14 -6.543 -6.298 -5.654 1.00 0.00 N ATOM 0 H ASN A 14 -4.250 -4.456 -6.307 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.854 -2.010 -6.679 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.652 -3.469 -5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.859 -4.211 -7.105 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.288 -7.106 -5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.968 -6.432 -6.571 1.00 0.00 H new ATOM 202 N VAL A 15 -6.287 -1.318 -4.238 1.00 0.00 N ATOM 203 CA VAL A 15 -6.232 -0.728 -2.864 1.00 0.00 C ATOM 204 C VAL A 15 -7.446 -1.200 -2.063 1.00 0.00 C ATOM 205 O VAL A 15 -8.570 -1.117 -2.515 1.00 0.00 O ATOM 206 CB VAL A 15 -6.254 0.800 -2.980 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.468 1.429 -1.599 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.921 1.275 -3.556 1.00 0.00 C ATOM 0 H VAL A 15 -6.982 -0.899 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.321 -1.045 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.071 1.101 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.482 2.515 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.418 1.088 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.657 1.132 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.928 2.362 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.110 0.969 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.773 0.834 -4.542 1.00 0.00 H new ATOM 218 N ARG A 16 -7.223 -1.696 -0.872 1.00 0.00 N ATOM 219 CA ARG A 16 -8.352 -2.182 -0.020 1.00 0.00 C ATOM 220 C ARG A 16 -8.634 -1.169 1.088 1.00 0.00 C ATOM 221 O ARG A 16 -7.751 -0.764 1.816 1.00 0.00 O ATOM 222 CB ARG A 16 -7.956 -3.523 0.604 1.00 0.00 C ATOM 223 CG ARG A 16 -8.052 -4.627 -0.451 1.00 0.00 C ATOM 224 CD ARG A 16 -7.375 -5.899 0.066 1.00 0.00 C ATOM 225 NE ARG A 16 -7.755 -6.124 1.490 1.00 0.00 N ATOM 226 CZ ARG A 16 -7.362 -7.205 2.111 1.00 0.00 C ATOM 227 NH1 ARG A 16 -6.666 -8.111 1.480 1.00 0.00 N ATOM 228 NH2 ARG A 16 -7.662 -7.376 3.369 1.00 0.00 N ATOM 0 H ARG A 16 -6.299 -1.786 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.248 -2.303 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.940 -3.468 0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.610 -3.752 1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.097 -4.830 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.576 -4.301 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.674 -6.754 -0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.292 -5.808 -0.022 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.323 -5.433 1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.426 -7.977 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.362 -8.953 1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.202 -6.667 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.357 -8.219 3.856 1.00 0.00 H new ATOM 242 N GLU A 17 -9.866 -0.763 1.221 1.00 0.00 N ATOM 243 CA GLU A 17 -10.222 0.217 2.281 1.00 0.00 C ATOM 244 C GLU A 17 -10.167 -0.464 3.649 1.00 0.00 C ATOM 245 O GLU A 17 -9.678 0.091 4.610 1.00 0.00 O ATOM 246 CB GLU A 17 -11.643 0.723 2.028 1.00 0.00 C ATOM 247 CG GLU A 17 -12.012 1.779 3.072 1.00 0.00 C ATOM 248 CD GLU A 17 -13.408 2.324 2.770 1.00 0.00 C ATOM 249 OE1 GLU A 17 -14.100 1.717 1.969 1.00 0.00 O ATOM 250 OE2 GLU A 17 -13.763 3.341 3.344 1.00 0.00 O ATOM 0 H GLU A 17 -10.644 -1.070 0.638 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.519 1.049 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.714 1.148 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.348 -0.107 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.988 1.343 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.283 2.589 3.060 1.00 0.00 H new ATOM 257 N GLY A 18 -10.686 -1.663 3.742 1.00 0.00 N ATOM 258 CA GLY A 18 -10.694 -2.396 5.045 1.00 0.00 C ATOM 259 C GLY A 18 -9.563 -3.420 5.084 1.00 0.00 C ATOM 260 O GLY A 18 -8.757 -3.513 4.181 1.00 0.00 O ATOM 0 H GLY A 18 -11.108 -2.170 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.583 -1.690 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.652 -2.897 5.182 1.00 0.00 H new ATOM 264 N ALA A 19 -9.507 -4.199 6.133 1.00 0.00 N ATOM 265 CA ALA A 19 -8.444 -5.236 6.257 1.00 0.00 C ATOM 266 C ALA A 19 -9.006 -6.581 5.794 1.00 0.00 C ATOM 267 O ALA A 19 -8.735 -7.608 6.381 1.00 0.00 O ATOM 268 CB ALA A 19 -8.020 -5.342 7.724 1.00 0.00 C ATOM 0 H ALA A 19 -10.160 -4.159 6.916 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.584 -4.966 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.242 -6.099 7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.636 -4.380 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.880 -5.623 8.332 1.00 0.00 H new ATOM 274 N SER A 20 -9.796 -6.577 4.745 1.00 0.00 N ATOM 275 CA SER A 20 -10.396 -7.851 4.228 1.00 0.00 C ATOM 276 C SER A 20 -10.197 -7.938 2.713 1.00 0.00 C ATOM 277 O SER A 20 -10.147 -6.941 2.023 1.00 0.00 O ATOM 278 CB SER A 20 -11.893 -7.874 4.544 1.00 0.00 C ATOM 279 OG SER A 20 -12.439 -9.119 4.132 1.00 0.00 O ATOM 0 H SER A 20 -10.053 -5.740 4.221 1.00 0.00 H new ATOM 0 HA SER A 20 -9.907 -8.699 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.053 -7.729 5.612 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.398 -7.055 4.032 1.00 0.00 H new ATOM 0 HG SER A 20 -13.398 -9.139 4.334 1.00 0.00 H new ATOM 285 N THR A 21 -10.085 -9.130 2.197 1.00 0.00 N ATOM 286 CA THR A 21 -9.889 -9.305 0.731 1.00 0.00 C ATOM 287 C THR A 21 -11.130 -8.813 -0.016 1.00 0.00 C ATOM 288 O THR A 21 -11.049 -8.329 -1.127 1.00 0.00 O ATOM 289 CB THR A 21 -9.677 -10.789 0.437 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.777 -11.527 0.948 1.00 0.00 O ATOM 291 CG2 THR A 21 -8.388 -11.264 1.110 1.00 0.00 C ATOM 0 H THR A 21 -10.121 -9.997 2.733 1.00 0.00 H new ATOM 0 HA THR A 21 -9.022 -8.731 0.404 1.00 0.00 H new ATOM 0 HB THR A 21 -9.600 -10.942 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.647 -12.480 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.237 -12.323 0.900 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.544 -10.693 0.723 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.464 -11.115 2.187 1.00 0.00 H new ATOM 299 N SER A 22 -12.281 -8.934 0.588 1.00 0.00 N ATOM 300 CA SER A 22 -13.536 -8.476 -0.076 1.00 0.00 C ATOM 301 C SER A 22 -13.740 -6.989 0.217 1.00 0.00 C ATOM 302 O SER A 22 -14.804 -6.444 0.006 1.00 0.00 O ATOM 303 CB SER A 22 -14.716 -9.278 0.474 1.00 0.00 C ATOM 304 OG SER A 22 -14.903 -8.956 1.844 1.00 0.00 O ATOM 0 H SER A 22 -12.407 -9.333 1.518 1.00 0.00 H new ATOM 0 HA SER A 22 -13.467 -8.628 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.620 -9.051 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.529 -10.346 0.362 1.00 0.00 H new ATOM 0 HG SER A 22 -15.660 -9.467 2.200 1.00 0.00 H new ATOM 310 N SER A 23 -12.726 -6.334 0.718 1.00 0.00 N ATOM 311 CA SER A 23 -12.849 -4.886 1.048 1.00 0.00 C ATOM 312 C SER A 23 -13.143 -4.073 -0.215 1.00 0.00 C ATOM 313 O SER A 23 -12.768 -4.441 -1.311 1.00 0.00 O ATOM 314 CB SER A 23 -11.543 -4.400 1.678 1.00 0.00 C ATOM 315 OG SER A 23 -11.471 -4.869 3.019 1.00 0.00 O ATOM 0 H SER A 23 -11.813 -6.744 0.914 1.00 0.00 H new ATOM 0 HA SER A 23 -13.672 -4.750 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.690 -4.765 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.498 -3.311 1.657 1.00 0.00 H new ATOM 0 HG SER A 23 -12.133 -4.398 3.566 1.00 0.00 H new ATOM 321 N LYS A 24 -13.825 -2.970 -0.062 1.00 0.00 N ATOM 322 CA LYS A 24 -14.174 -2.116 -1.232 1.00 0.00 C ATOM 323 C LYS A 24 -12.917 -1.530 -1.875 1.00 0.00 C ATOM 324 O LYS A 24 -12.016 -1.065 -1.204 1.00 0.00 O ATOM 325 CB LYS A 24 -15.077 -0.975 -0.765 1.00 0.00 C ATOM 326 CG LYS A 24 -15.517 -0.138 -1.972 1.00 0.00 C ATOM 327 CD LYS A 24 -16.535 0.933 -1.531 1.00 0.00 C ATOM 328 CE LYS A 24 -17.957 0.361 -1.584 1.00 0.00 C ATOM 329 NZ LYS A 24 -18.353 0.147 -3.004 1.00 0.00 N ATOM 0 H LYS A 24 -14.159 -2.621 0.836 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.688 -2.730 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.950 -1.376 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.546 -0.348 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.650 0.339 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.962 -0.784 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.307 1.268 -0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.461 1.806 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.002 -0.581 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.654 1.045 -1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.385 0.242 -3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.885 0.855 -3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.066 -0.806 -3.305 1.00 0.00 H new ATOM 343 N VAL A 25 -12.863 -1.543 -3.180 1.00 0.00 N ATOM 344 CA VAL A 25 -11.684 -0.981 -3.898 1.00 0.00 C ATOM 345 C VAL A 25 -11.937 0.497 -4.198 1.00 0.00 C ATOM 346 O VAL A 25 -12.844 0.846 -4.926 1.00 0.00 O ATOM 347 CB VAL A 25 -11.496 -1.747 -5.206 1.00 0.00 C ATOM 348 CG1 VAL A 25 -10.344 -1.138 -6.004 1.00 0.00 C ATOM 349 CG2 VAL A 25 -11.176 -3.207 -4.884 1.00 0.00 C ATOM 0 H VAL A 25 -13.592 -1.922 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.788 -1.076 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.409 -1.687 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.215 -1.689 -6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.568 -0.095 -6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.426 -1.195 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.040 -3.763 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.261 -3.257 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.998 -3.643 -4.317 1.00 0.00 H new ATOM 359 N ILE A 26 -11.137 1.367 -3.637 1.00 0.00 N ATOM 360 CA ILE A 26 -11.312 2.832 -3.871 1.00 0.00 C ATOM 361 C ILE A 26 -10.249 3.328 -4.854 1.00 0.00 C ATOM 362 O ILE A 26 -10.257 4.472 -5.257 1.00 0.00 O ATOM 363 CB ILE A 26 -11.175 3.568 -2.534 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.821 3.239 -1.895 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.298 3.124 -1.594 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.634 4.081 -0.631 1.00 0.00 C ATOM 0 H ILE A 26 -10.362 1.122 -3.021 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.298 3.025 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.240 4.642 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.771 2.178 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.015 3.440 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.203 3.646 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.263 3.360 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.229 2.049 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.671 3.847 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.665 5.139 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.433 3.858 0.076 1.00 0.00 H new ATOM 378 N GLY A 27 -9.335 2.481 -5.248 1.00 0.00 N ATOM 379 CA GLY A 27 -8.287 2.932 -6.206 1.00 0.00 C ATOM 380 C GLY A 27 -7.343 1.777 -6.556 1.00 0.00 C ATOM 381 O GLY A 27 -7.539 0.652 -6.143 1.00 0.00 O ATOM 0 H GLY A 27 -9.270 1.507 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.756 3.313 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.719 3.754 -5.771 1.00 0.00 H new ATOM 385 N SER A 28 -6.319 2.057 -7.320 1.00 0.00 N ATOM 386 CA SER A 28 -5.351 0.993 -7.710 1.00 0.00 C ATOM 387 C SER A 28 -4.029 1.647 -8.117 1.00 0.00 C ATOM 388 O SER A 28 -3.966 2.841 -8.324 1.00 0.00 O ATOM 389 CB SER A 28 -5.908 0.201 -8.892 1.00 0.00 C ATOM 390 OG SER A 28 -6.029 1.062 -10.016 1.00 0.00 O ATOM 0 H SER A 28 -6.112 2.984 -7.692 1.00 0.00 H new ATOM 0 HA SER A 28 -5.189 0.319 -6.869 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.249 -0.635 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.880 -0.222 -8.636 1.00 0.00 H new ATOM 0 HG SER A 28 -6.384 0.558 -10.778 1.00 0.00 H new ATOM 396 N LEU A 29 -2.971 0.876 -8.225 1.00 0.00 N ATOM 397 CA LEU A 29 -1.639 1.448 -8.610 1.00 0.00 C ATOM 398 C LEU A 29 -1.110 0.742 -9.859 1.00 0.00 C ATOM 399 O LEU A 29 -1.446 -0.391 -10.137 1.00 0.00 O ATOM 400 CB LEU A 29 -0.655 1.242 -7.457 1.00 0.00 C ATOM 401 CG LEU A 29 -1.196 1.904 -6.183 1.00 0.00 C ATOM 402 CD1 LEU A 29 -0.234 1.632 -5.024 1.00 0.00 C ATOM 403 CD2 LEU A 29 -1.334 3.423 -6.392 1.00 0.00 C ATOM 0 H LEU A 29 -2.973 -0.131 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.749 2.512 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.500 0.177 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.315 1.668 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.177 1.489 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.615 2.101 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.147 0.557 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.747 2.044 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.719 3.882 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.358 3.848 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.023 3.616 -7.215 1.00 0.00 H new ATOM 415 N SER A 30 -0.283 1.416 -10.612 1.00 0.00 N ATOM 416 CA SER A 30 0.281 0.813 -11.848 1.00 0.00 C ATOM 417 C SER A 30 1.451 -0.103 -11.477 1.00 0.00 C ATOM 418 O SER A 30 2.022 -0.767 -12.317 1.00 0.00 O ATOM 419 CB SER A 30 0.768 1.929 -12.767 1.00 0.00 C ATOM 420 OG SER A 30 -0.346 2.707 -13.184 1.00 0.00 O ATOM 0 H SER A 30 0.027 2.368 -10.419 1.00 0.00 H new ATOM 0 HA SER A 30 -0.483 0.228 -12.360 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.491 2.557 -12.246 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.278 1.507 -13.633 1.00 0.00 H new ATOM 0 HG SER A 30 -0.040 3.427 -13.774 1.00 0.00 H new ATOM 426 N GLY A 31 1.801 -0.153 -10.218 1.00 0.00 N ATOM 427 CA GLY A 31 2.921 -1.043 -9.775 1.00 0.00 C ATOM 428 C GLY A 31 4.244 -0.270 -9.706 1.00 0.00 C ATOM 429 O GLY A 31 4.379 0.812 -10.240 1.00 0.00 O ATOM 0 H GLY A 31 1.359 0.386 -9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.690 -1.464 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.020 -1.880 -10.466 1.00 0.00 H new ATOM 433 N ASN A 32 5.219 -0.836 -9.039 1.00 0.00 N ATOM 434 CA ASN A 32 6.550 -0.175 -8.907 1.00 0.00 C ATOM 435 C ASN A 32 6.384 1.222 -8.307 1.00 0.00 C ATOM 436 O ASN A 32 7.340 1.951 -8.148 1.00 0.00 O ATOM 437 CB ASN A 32 7.217 -0.065 -10.284 1.00 0.00 C ATOM 438 CG ASN A 32 8.715 0.199 -10.104 1.00 0.00 C ATOM 439 OD1 ASN A 32 9.158 1.327 -10.177 1.00 0.00 O ATOM 440 ND2 ASN A 32 9.518 -0.804 -9.868 1.00 0.00 N ATOM 0 H ASN A 32 5.146 -1.741 -8.574 1.00 0.00 H new ATOM 0 HA ASN A 32 7.177 -0.776 -8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.064 -0.984 -10.849 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.761 0.742 -10.858 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.517 -0.639 -9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.146 -1.752 -9.807 1.00 0.00 H new ATOM 447 N THR A 33 5.181 1.602 -7.967 1.00 0.00 N ATOM 448 CA THR A 33 4.966 2.955 -7.376 1.00 0.00 C ATOM 449 C THR A 33 5.215 2.901 -5.868 1.00 0.00 C ATOM 450 O THR A 33 4.741 2.018 -5.181 1.00 0.00 O ATOM 451 CB THR A 33 3.532 3.409 -7.650 1.00 0.00 C ATOM 452 OG1 THR A 33 3.285 3.360 -9.048 1.00 0.00 O ATOM 453 CG2 THR A 33 3.347 4.841 -7.152 1.00 0.00 C ATOM 0 H THR A 33 4.340 1.035 -8.073 1.00 0.00 H new ATOM 0 HA THR A 33 5.660 3.664 -7.827 1.00 0.00 H new ATOM 0 HB THR A 33 2.835 2.752 -7.131 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.562 2.488 -9.399 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.325 5.165 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.542 4.882 -6.080 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.042 5.500 -7.673 1.00 0.00 H new ATOM 461 N LYS A 34 5.961 3.837 -5.350 1.00 0.00 N ATOM 462 CA LYS A 34 6.250 3.844 -3.889 1.00 0.00 C ATOM 463 C LYS A 34 5.068 4.442 -3.126 1.00 0.00 C ATOM 464 O LYS A 34 4.502 5.437 -3.529 1.00 0.00 O ATOM 465 CB LYS A 34 7.504 4.679 -3.629 1.00 0.00 C ATOM 466 CG LYS A 34 7.890 4.579 -2.154 1.00 0.00 C ATOM 467 CD LYS A 34 9.227 5.296 -1.927 1.00 0.00 C ATOM 468 CE LYS A 34 9.061 6.813 -2.110 1.00 0.00 C ATOM 469 NZ LYS A 34 9.209 7.156 -3.553 1.00 0.00 N ATOM 0 H LYS A 34 6.384 4.600 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 34 6.411 2.822 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.324 4.326 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.322 5.720 -3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.115 5.027 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.971 3.533 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.595 5.083 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.972 4.919 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.083 7.129 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.807 7.346 -1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.938 7.890 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.490 6.307 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.303 7.510 -3.920 1.00 0.00 H new ATOM 483 N VAL A 35 4.693 3.834 -2.025 1.00 0.00 N ATOM 484 CA VAL A 35 3.542 4.347 -1.216 1.00 0.00 C ATOM 485 C VAL A 35 4.023 4.668 0.201 1.00 0.00 C ATOM 486 O VAL A 35 4.685 3.874 0.843 1.00 0.00 O ATOM 487 CB VAL A 35 2.447 3.280 -1.165 1.00 0.00 C ATOM 488 CG1 VAL A 35 1.772 3.193 -2.534 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.056 1.921 -0.811 1.00 0.00 C ATOM 0 H VAL A 35 5.139 2.997 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 35 3.142 5.252 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 35 1.714 3.550 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.990 2.434 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.333 4.158 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.512 2.924 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.269 1.167 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.791 1.644 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.542 1.983 0.163 1.00 0.00 H new ATOM 499 N THR A 36 3.699 5.836 0.683 1.00 0.00 N ATOM 500 CA THR A 36 4.134 6.235 2.048 1.00 0.00 C ATOM 501 C THR A 36 3.323 5.481 3.098 1.00 0.00 C ATOM 502 O THR A 36 2.113 5.405 3.021 1.00 0.00 O ATOM 503 CB THR A 36 3.918 7.737 2.224 1.00 0.00 C ATOM 504 OG1 THR A 36 4.597 8.431 1.187 1.00 0.00 O ATOM 505 CG2 THR A 36 4.458 8.179 3.584 1.00 0.00 C ATOM 0 H THR A 36 3.148 6.535 0.185 1.00 0.00 H new ATOM 0 HA THR A 36 5.190 5.994 2.173 1.00 0.00 H new ATOM 0 HB THR A 36 2.853 7.962 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.460 9.395 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.302 9.251 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.933 7.643 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.524 7.958 3.641 1.00 0.00 H new ATOM 513 N ILE A 37 3.986 4.934 4.084 1.00 0.00 N ATOM 514 CA ILE A 37 3.279 4.179 5.165 1.00 0.00 C ATOM 515 C ILE A 37 3.339 4.976 6.466 1.00 0.00 C ATOM 516 O ILE A 37 4.394 5.385 6.909 1.00 0.00 O ATOM 517 CB ILE A 37 3.970 2.828 5.357 1.00 0.00 C ATOM 518 CG1 ILE A 37 3.747 1.974 4.106 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.403 2.114 6.590 1.00 0.00 C ATOM 520 CD1 ILE A 37 4.660 0.748 4.151 1.00 0.00 C ATOM 0 H ILE A 37 5.000 4.978 4.188 1.00 0.00 H new ATOM 0 HA ILE A 37 2.236 4.024 4.889 1.00 0.00 H new ATOM 0 HB ILE A 37 5.038 2.983 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.704 1.661 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.954 2.561 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.903 1.154 6.716 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.569 2.729 7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.333 1.952 6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.499 0.142 3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.701 1.070 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.432 0.157 5.038 1.00 0.00 H new ATOM 532 N VAL A 38 2.206 5.193 7.079 1.00 0.00 N ATOM 533 CA VAL A 38 2.154 5.958 8.362 1.00 0.00 C ATOM 534 C VAL A 38 1.763 5.007 9.494 1.00 0.00 C ATOM 535 O VAL A 38 1.675 5.398 10.639 1.00 0.00 O ATOM 536 CB VAL A 38 1.110 7.073 8.242 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.548 8.067 7.163 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.242 6.470 7.854 1.00 0.00 C ATOM 0 H VAL A 38 1.300 4.868 6.741 1.00 0.00 H new ATOM 0 HA VAL A 38 3.129 6.397 8.574 1.00 0.00 H new ATOM 0 HB VAL A 38 1.019 7.587 9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.806 8.861 7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.511 8.499 7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.639 7.550 6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.984 7.264 7.769 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.150 5.956 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.557 5.760 8.619 1.00 0.00 H new ATOM 548 N GLY A 39 1.526 3.758 9.186 1.00 0.00 N ATOM 549 CA GLY A 39 1.143 2.795 10.257 1.00 0.00 C ATOM 550 C GLY A 39 1.101 1.370 9.698 1.00 0.00 C ATOM 551 O GLY A 39 1.290 1.152 8.519 1.00 0.00 O ATOM 0 H GLY A 39 1.581 3.367 8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.858 2.850 11.078 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.168 3.062 10.665 1.00 0.00 H new ATOM 555 N GLU A 40 0.855 0.396 10.541 1.00 0.00 N ATOM 556 CA GLU A 40 0.799 -1.024 10.070 1.00 0.00 C ATOM 557 C GLU A 40 -0.340 -1.760 10.776 1.00 0.00 C ATOM 558 O GLU A 40 -0.725 -1.416 11.876 1.00 0.00 O ATOM 559 CB GLU A 40 2.129 -1.719 10.386 1.00 0.00 C ATOM 560 CG GLU A 40 2.348 -1.763 11.901 1.00 0.00 C ATOM 561 CD GLU A 40 3.743 -2.320 12.192 1.00 0.00 C ATOM 562 OE1 GLU A 40 4.654 -2.003 11.445 1.00 0.00 O ATOM 563 OE2 GLU A 40 3.876 -3.058 13.154 1.00 0.00 O ATOM 0 H GLU A 40 0.690 0.524 11.539 1.00 0.00 H new ATOM 0 HA GLU A 40 0.624 -1.039 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.126 -2.731 9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.950 -1.186 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.247 -0.764 12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.589 -2.387 12.372 1.00 0.00 H new ATOM 570 N GLU A 41 -0.883 -2.775 10.154 1.00 0.00 N ATOM 571 CA GLU A 41 -1.995 -3.539 10.793 1.00 0.00 C ATOM 572 C GLU A 41 -1.968 -4.987 10.296 1.00 0.00 C ATOM 573 O GLU A 41 -2.329 -5.275 9.173 1.00 0.00 O ATOM 574 CB GLU A 41 -3.339 -2.892 10.426 1.00 0.00 C ATOM 575 CG GLU A 41 -4.444 -3.418 11.352 1.00 0.00 C ATOM 576 CD GLU A 41 -4.736 -4.883 11.023 1.00 0.00 C ATOM 577 OE1 GLU A 41 -4.612 -5.245 9.863 1.00 0.00 O ATOM 578 OE2 GLU A 41 -5.078 -5.619 11.933 1.00 0.00 O ATOM 0 H GLU A 41 -0.604 -3.107 9.231 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.872 -3.525 11.876 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.266 -1.808 10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.587 -3.113 9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.135 -3.323 12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.348 -2.821 11.232 1.00 0.00 H new ATOM 585 N GLY A 42 -1.554 -5.899 11.135 1.00 0.00 N ATOM 586 CA GLY A 42 -1.514 -7.335 10.735 1.00 0.00 C ATOM 587 C GLY A 42 -0.616 -7.537 9.513 1.00 0.00 C ATOM 588 O GLY A 42 0.447 -6.959 9.403 1.00 0.00 O ATOM 0 H GLY A 42 -1.240 -5.709 12.087 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.146 -7.938 11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.523 -7.683 10.511 1.00 0.00 H new ATOM 592 N ALA A 43 -1.045 -8.361 8.595 1.00 0.00 N ATOM 593 CA ALA A 43 -0.239 -8.623 7.372 1.00 0.00 C ATOM 594 C ALA A 43 -0.508 -7.524 6.346 1.00 0.00 C ATOM 595 O ALA A 43 -0.034 -7.578 5.228 1.00 0.00 O ATOM 596 CB ALA A 43 -0.641 -9.982 6.788 1.00 0.00 C ATOM 0 H ALA A 43 -1.929 -8.868 8.643 1.00 0.00 H new ATOM 0 HA ALA A 43 0.822 -8.633 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.054 -10.181 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.455 -10.764 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.701 -9.969 6.533 1.00 0.00 H new ATOM 602 N PHE A 44 -1.273 -6.531 6.721 1.00 0.00 N ATOM 603 CA PHE A 44 -1.599 -5.412 5.781 1.00 0.00 C ATOM 604 C PHE A 44 -0.984 -4.113 6.300 1.00 0.00 C ATOM 605 O PHE A 44 -0.963 -3.858 7.488 1.00 0.00 O ATOM 606 CB PHE A 44 -3.117 -5.251 5.699 1.00 0.00 C ATOM 607 CG PHE A 44 -3.714 -6.462 5.028 1.00 0.00 C ATOM 608 CD1 PHE A 44 -3.746 -6.540 3.631 1.00 0.00 C ATOM 609 CD2 PHE A 44 -4.238 -7.506 5.799 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.299 -7.661 3.004 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.793 -8.629 5.172 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.825 -8.705 3.774 1.00 0.00 C ATOM 0 H PHE A 44 -1.691 -6.445 7.648 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.196 -5.637 4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.536 -5.132 6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.368 -4.350 5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.343 -5.733 3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.214 -7.446 6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.320 -7.721 1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.196 -9.436 5.766 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.256 -9.569 3.290 1.00 0.00 H new ATOM 622 N TYR A 45 -0.483 -3.292 5.412 1.00 0.00 N ATOM 623 CA TYR A 45 0.141 -1.997 5.826 1.00 0.00 C ATOM 624 C TYR A 45 -0.772 -0.839 5.435 1.00 0.00 C ATOM 625 O TYR A 45 -1.508 -0.910 4.473 1.00 0.00 O ATOM 626 CB TYR A 45 1.494 -1.831 5.125 1.00 0.00 C ATOM 627 CG TYR A 45 2.531 -2.684 5.817 1.00 0.00 C ATOM 628 CD1 TYR A 45 2.909 -2.382 7.131 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.117 -3.769 5.153 1.00 0.00 C ATOM 630 CE1 TYR A 45 3.868 -3.162 7.781 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.079 -4.549 5.805 1.00 0.00 C ATOM 632 CZ TYR A 45 4.453 -4.246 7.120 1.00 0.00 C ATOM 633 OH TYR A 45 5.400 -5.016 7.763 1.00 0.00 O ATOM 0 H TYR A 45 -0.479 -3.465 4.407 1.00 0.00 H new ATOM 0 HA TYR A 45 0.286 -1.999 6.906 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.410 -2.121 4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.798 -0.785 5.143 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.458 -1.545 7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.827 -4.003 4.139 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.158 -2.928 8.795 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.533 -5.385 5.294 1.00 0.00 H new ATOM 0 HH TYR A 45 5.704 -5.729 7.163 1.00 0.00 H new ATOM 643 N LYS A 46 -0.722 0.232 6.177 1.00 0.00 N ATOM 644 CA LYS A 46 -1.576 1.408 5.860 1.00 0.00 C ATOM 645 C LYS A 46 -0.804 2.350 4.942 1.00 0.00 C ATOM 646 O LYS A 46 0.378 2.569 5.119 1.00 0.00 O ATOM 647 CB LYS A 46 -1.918 2.133 7.163 1.00 0.00 C ATOM 648 CG LYS A 46 -3.013 1.362 7.895 1.00 0.00 C ATOM 649 CD LYS A 46 -3.246 1.982 9.275 1.00 0.00 C ATOM 650 CE LYS A 46 -3.732 3.431 9.127 1.00 0.00 C ATOM 651 NZ LYS A 46 -2.555 4.337 8.999 1.00 0.00 N ATOM 0 H LYS A 46 -0.122 0.343 6.994 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.492 1.086 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.031 2.214 7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.252 3.149 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.936 1.384 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.727 0.315 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.983 1.397 9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.323 1.957 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.373 3.523 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.331 3.715 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.607 5.078 9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.680 3.789 9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.556 4.777 8.057 1.00 0.00 H new ATOM 665 N ILE A 47 -1.462 2.905 3.958 1.00 0.00 N ATOM 666 CA ILE A 47 -0.777 3.838 3.014 1.00 0.00 C ATOM 667 C ILE A 47 -1.636 5.079 2.798 1.00 0.00 C ATOM 668 O ILE A 47 -2.848 5.026 2.857 1.00 0.00 O ATOM 669 CB ILE A 47 -0.546 3.121 1.683 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.878 2.604 1.126 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.406 1.945 1.903 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.653 2.024 -0.272 1.00 0.00 C ATOM 0 H ILE A 47 -2.452 2.751 3.766 1.00 0.00 H new ATOM 0 HA ILE A 47 0.181 4.146 3.432 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.111 3.820 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.289 1.841 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.606 3.414 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.574 1.431 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.356 2.314 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.032 1.251 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.599 1.656 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.261 2.800 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.939 1.202 -0.214 1.00 0.00 H new ATOM 684 N GLU A 48 -1.018 6.196 2.541 1.00 0.00 N ATOM 685 CA GLU A 48 -1.796 7.443 2.313 1.00 0.00 C ATOM 686 C GLU A 48 -2.180 7.524 0.838 1.00 0.00 C ATOM 687 O GLU A 48 -1.414 7.987 0.018 1.00 0.00 O ATOM 688 CB GLU A 48 -0.934 8.651 2.688 1.00 0.00 C ATOM 689 CG GLU A 48 -1.734 9.939 2.479 1.00 0.00 C ATOM 690 CD GLU A 48 -0.898 11.136 2.932 1.00 0.00 C ATOM 691 OE1 GLU A 48 0.292 10.960 3.136 1.00 0.00 O ATOM 692 OE2 GLU A 48 -1.462 12.210 3.065 1.00 0.00 O ATOM 0 H GLU A 48 -0.005 6.299 2.479 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.697 7.439 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.615 8.574 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.031 8.669 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.003 10.046 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.665 9.897 3.044 1.00 0.00 H new ATOM 699 N TYR A 49 -3.361 7.074 0.491 1.00 0.00 N ATOM 700 CA TYR A 49 -3.802 7.122 -0.937 1.00 0.00 C ATOM 701 C TYR A 49 -4.813 8.255 -1.113 1.00 0.00 C ATOM 702 O TYR A 49 -5.887 8.239 -0.547 1.00 0.00 O ATOM 703 CB TYR A 49 -4.452 5.789 -1.309 1.00 0.00 C ATOM 704 CG TYR A 49 -4.875 5.827 -2.756 1.00 0.00 C ATOM 705 CD1 TYR A 49 -3.942 5.560 -3.764 1.00 0.00 C ATOM 706 CD2 TYR A 49 -6.199 6.136 -3.088 1.00 0.00 C ATOM 707 CE1 TYR A 49 -4.333 5.602 -5.107 1.00 0.00 C ATOM 708 CE2 TYR A 49 -6.590 6.176 -4.431 1.00 0.00 C ATOM 709 CZ TYR A 49 -5.658 5.910 -5.441 1.00 0.00 C ATOM 710 OH TYR A 49 -6.043 5.950 -6.765 1.00 0.00 O ATOM 0 H TYR A 49 -4.041 6.674 1.138 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.943 7.299 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.751 4.971 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.315 5.602 -0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.921 5.322 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.918 6.343 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.613 5.397 -5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.612 6.412 -4.689 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.995 6.177 -6.822 1.00 0.00 H new ATOM 720 N LYS A 50 -4.467 9.240 -1.896 1.00 0.00 N ATOM 721 CA LYS A 50 -5.385 10.392 -2.120 1.00 0.00 C ATOM 722 C LYS A 50 -5.831 10.967 -0.771 1.00 0.00 C ATOM 723 O LYS A 50 -6.928 11.469 -0.634 1.00 0.00 O ATOM 724 CB LYS A 50 -6.606 9.932 -2.935 1.00 0.00 C ATOM 725 CG LYS A 50 -7.234 11.134 -3.651 1.00 0.00 C ATOM 726 CD LYS A 50 -8.344 10.655 -4.587 1.00 0.00 C ATOM 727 CE LYS A 50 -8.900 11.852 -5.357 1.00 0.00 C ATOM 728 NZ LYS A 50 -9.600 12.768 -4.414 1.00 0.00 N ATOM 0 H LYS A 50 -3.579 9.296 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.863 11.169 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.306 9.179 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.339 9.465 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.639 11.834 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.473 11.670 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.955 9.909 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.137 10.175 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.091 12.381 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.589 11.512 -6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.214 13.414 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.177 12.210 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.898 13.320 -3.881 1.00 0.00 H new ATOM 742 N GLY A 51 -4.981 10.903 0.222 1.00 0.00 N ATOM 743 CA GLY A 51 -5.341 11.452 1.563 1.00 0.00 C ATOM 744 C GLY A 51 -6.041 10.380 2.395 1.00 0.00 C ATOM 745 O GLY A 51 -6.094 10.460 3.605 1.00 0.00 O ATOM 0 H GLY A 51 -4.049 10.492 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.443 11.795 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.993 12.318 1.448 1.00 0.00 H new ATOM 749 N SER A 52 -6.586 9.381 1.759 1.00 0.00 N ATOM 750 CA SER A 52 -7.293 8.309 2.515 1.00 0.00 C ATOM 751 C SER A 52 -6.289 7.275 3.031 1.00 0.00 C ATOM 752 O SER A 52 -5.150 7.236 2.611 1.00 0.00 O ATOM 753 CB SER A 52 -8.300 7.624 1.592 1.00 0.00 C ATOM 754 OG SER A 52 -7.598 6.908 0.583 1.00 0.00 O ATOM 0 H SER A 52 -6.573 9.260 0.746 1.00 0.00 H new ATOM 0 HA SER A 52 -7.811 8.753 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.932 6.945 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.958 8.365 1.138 1.00 0.00 H new ATOM 0 HG SER A 52 -6.720 7.320 0.440 1.00 0.00 H new ATOM 760 N HIS A 53 -6.712 6.431 3.939 1.00 0.00 N ATOM 761 CA HIS A 53 -5.801 5.385 4.496 1.00 0.00 C ATOM 762 C HIS A 53 -6.119 4.046 3.830 1.00 0.00 C ATOM 763 O HIS A 53 -7.021 3.339 4.231 1.00 0.00 O ATOM 764 CB HIS A 53 -6.033 5.287 6.004 1.00 0.00 C ATOM 765 CG HIS A 53 -5.638 6.592 6.643 1.00 0.00 C ATOM 766 ND1 HIS A 53 -5.901 6.876 7.974 1.00 0.00 N ATOM 767 CD2 HIS A 53 -5.001 7.703 6.143 1.00 0.00 C ATOM 768 CE1 HIS A 53 -5.428 8.112 8.225 1.00 0.00 C ATOM 769 NE2 HIS A 53 -4.870 8.659 7.143 1.00 0.00 N ATOM 0 H HIS A 53 -7.658 6.422 4.321 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.759 5.643 4.305 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.080 5.068 6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.447 4.469 6.423 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.655 7.816 5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.492 8.601 9.186 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.440 9.581 7.067 1.00 0.00 H new ATOM 777 N GLY A 54 -5.389 3.701 2.802 1.00 0.00 N ATOM 778 CA GLY A 54 -5.649 2.418 2.086 1.00 0.00 C ATOM 779 C GLY A 54 -4.862 1.278 2.734 1.00 0.00 C ATOM 780 O GLY A 54 -3.925 1.499 3.473 1.00 0.00 O ATOM 0 H GLY A 54 -4.620 4.256 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.715 2.191 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.365 2.515 1.038 1.00 0.00 H new ATOM 784 N TYR A 55 -5.242 0.057 2.448 1.00 0.00 N ATOM 785 CA TYR A 55 -4.535 -1.131 3.023 1.00 0.00 C ATOM 786 C TYR A 55 -4.020 -2.009 1.885 1.00 0.00 C ATOM 787 O TYR A 55 -4.706 -2.225 0.906 1.00 0.00 O ATOM 788 CB TYR A 55 -5.518 -1.932 3.878 1.00 0.00 C ATOM 789 CG TYR A 55 -5.791 -1.173 5.152 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.756 -0.159 5.174 1.00 0.00 C ATOM 791 CD2 TYR A 55 -5.071 -1.479 6.312 1.00 0.00 C ATOM 792 CE1 TYR A 55 -6.999 0.550 6.357 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.314 -0.773 7.493 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.278 0.242 7.516 1.00 0.00 C ATOM 795 OH TYR A 55 -6.515 0.941 8.682 1.00 0.00 O ATOM 0 H TYR A 55 -6.023 -0.170 1.832 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.697 -0.802 3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.446 -2.096 3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.105 -2.915 4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.313 0.076 4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.327 -2.262 6.295 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.742 1.334 6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.758 -1.010 8.388 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.118 0.460 9.438 1.00 0.00 H new ATOM 805 N VAL A 56 -2.817 -2.517 2.000 1.00 0.00 N ATOM 806 CA VAL A 56 -2.257 -3.388 0.917 1.00 0.00 C ATOM 807 C VAL A 56 -1.547 -4.588 1.539 1.00 0.00 C ATOM 808 O VAL A 56 -1.079 -4.538 2.658 1.00 0.00 O ATOM 809 CB VAL A 56 -1.269 -2.582 0.076 1.00 0.00 C ATOM 810 CG1 VAL A 56 -2.026 -1.499 -0.693 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.233 -1.921 0.990 1.00 0.00 C ATOM 0 H VAL A 56 -2.198 -2.367 2.797 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.068 -3.743 0.280 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.763 -3.247 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.324 -0.922 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.765 -1.965 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.530 -0.837 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.470 -1.347 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.738 -1.256 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.307 -2.689 1.544 1.00 0.00 H new ATOM 821 N ALA A 57 -1.473 -5.670 0.818 1.00 0.00 N ATOM 822 CA ALA A 57 -0.808 -6.888 1.354 1.00 0.00 C ATOM 823 C ALA A 57 0.710 -6.693 1.386 1.00 0.00 C ATOM 824 O ALA A 57 1.295 -6.147 0.474 1.00 0.00 O ATOM 825 CB ALA A 57 -1.153 -8.075 0.457 1.00 0.00 C ATOM 0 H ALA A 57 -1.847 -5.763 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.157 -7.073 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.670 -8.974 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.233 -8.220 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.802 -7.879 -0.556 1.00 0.00 H new ATOM 831 N LYS A 58 1.352 -7.154 2.427 1.00 0.00 N ATOM 832 CA LYS A 58 2.834 -7.018 2.529 1.00 0.00 C ATOM 833 C LYS A 58 3.506 -7.922 1.490 1.00 0.00 C ATOM 834 O LYS A 58 4.690 -7.827 1.238 1.00 0.00 O ATOM 835 CB LYS A 58 3.275 -7.432 3.938 1.00 0.00 C ATOM 836 CG LYS A 58 2.897 -8.895 4.195 1.00 0.00 C ATOM 837 CD LYS A 58 3.285 -9.276 5.626 1.00 0.00 C ATOM 838 CE LYS A 58 2.906 -10.737 5.892 1.00 0.00 C ATOM 839 NZ LYS A 58 3.300 -11.109 7.282 1.00 0.00 N ATOM 0 H LYS A 58 0.909 -7.623 3.217 1.00 0.00 H new ATOM 0 HA LYS A 58 3.125 -5.984 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.352 -7.302 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.801 -6.789 4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.827 -9.037 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.407 -9.544 3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.356 -9.136 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.778 -8.623 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.833 -10.876 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.404 -11.389 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.043 -12.100 7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.327 -10.992 7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.805 -10.494 7.959 1.00 0.00 H new ATOM 853 N GLU A 59 2.754 -8.806 0.898 1.00 0.00 N ATOM 854 CA GLU A 59 3.328 -9.736 -0.113 1.00 0.00 C ATOM 855 C GLU A 59 3.855 -8.952 -1.320 1.00 0.00 C ATOM 856 O GLU A 59 4.808 -9.350 -1.959 1.00 0.00 O ATOM 857 CB GLU A 59 2.232 -10.705 -0.565 1.00 0.00 C ATOM 858 CG GLU A 59 1.221 -9.966 -1.451 1.00 0.00 C ATOM 859 CD GLU A 59 -0.064 -10.787 -1.567 1.00 0.00 C ATOM 860 OE1 GLU A 59 0.019 -11.920 -2.011 1.00 0.00 O ATOM 861 OE2 GLU A 59 -1.107 -10.269 -1.208 1.00 0.00 O ATOM 0 H GLU A 59 1.756 -8.925 1.073 1.00 0.00 H new ATOM 0 HA GLU A 59 4.158 -10.287 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.673 -11.536 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.727 -11.129 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.000 -8.986 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.646 -9.797 -2.440 1.00 0.00 H new ATOM 868 N TYR A 60 3.233 -7.847 -1.645 1.00 0.00 N ATOM 869 CA TYR A 60 3.686 -7.042 -2.819 1.00 0.00 C ATOM 870 C TYR A 60 4.548 -5.872 -2.344 1.00 0.00 C ATOM 871 O TYR A 60 4.935 -5.025 -3.124 1.00 0.00 O ATOM 872 CB TYR A 60 2.459 -6.499 -3.553 1.00 0.00 C ATOM 873 CG TYR A 60 1.572 -7.655 -3.961 1.00 0.00 C ATOM 874 CD1 TYR A 60 2.025 -8.583 -4.906 1.00 0.00 C ATOM 875 CD2 TYR A 60 0.300 -7.803 -3.390 1.00 0.00 C ATOM 876 CE1 TYR A 60 1.207 -9.656 -5.282 1.00 0.00 C ATOM 877 CE2 TYR A 60 -0.515 -8.877 -3.766 1.00 0.00 C ATOM 878 CZ TYR A 60 -0.062 -9.803 -4.712 1.00 0.00 C ATOM 879 OH TYR A 60 -0.865 -10.863 -5.082 1.00 0.00 O ATOM 0 H TYR A 60 2.429 -7.467 -1.146 1.00 0.00 H new ATOM 0 HA TYR A 60 4.273 -7.672 -3.487 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.909 -5.813 -2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.767 -5.933 -4.432 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.005 -8.472 -5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.051 -7.088 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.556 -10.371 -6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.494 -8.991 -3.325 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.712 -10.818 -4.592 1.00 0.00 H new ATOM 889 N ILE A 61 4.853 -5.815 -1.070 1.00 0.00 N ATOM 890 CA ILE A 61 5.693 -4.695 -0.538 1.00 0.00 C ATOM 891 C ILE A 61 7.102 -5.206 -0.252 1.00 0.00 C ATOM 892 O ILE A 61 7.290 -6.207 0.411 1.00 0.00 O ATOM 893 CB ILE A 61 5.069 -4.159 0.753 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.619 -3.721 0.481 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.888 -2.975 1.258 1.00 0.00 C ATOM 896 CD1 ILE A 61 3.557 -2.715 -0.679 1.00 0.00 C ATOM 0 H ILE A 61 4.556 -6.498 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 61 5.742 -3.895 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 61 5.067 -4.941 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.010 -4.593 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.196 -3.272 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.445 -2.592 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.911 -3.297 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.894 -2.189 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.521 -2.421 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.147 -1.834 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.958 -3.175 -1.582 1.00 0.00 H new ATOM 908 N LYS A 62 8.098 -4.528 -0.763 1.00 0.00 N ATOM 909 CA LYS A 62 9.507 -4.967 -0.543 1.00 0.00 C ATOM 910 C LYS A 62 10.413 -3.750 -0.336 1.00 0.00 C ATOM 911 O LYS A 62 10.047 -2.628 -0.636 1.00 0.00 O ATOM 912 CB LYS A 62 9.980 -5.767 -1.762 1.00 0.00 C ATOM 913 CG LYS A 62 10.100 -4.850 -2.988 1.00 0.00 C ATOM 914 CD LYS A 62 10.463 -5.691 -4.215 1.00 0.00 C ATOM 915 CE LYS A 62 10.578 -4.788 -5.446 1.00 0.00 C ATOM 916 NZ LYS A 62 11.893 -4.086 -5.425 1.00 0.00 N ATOM 0 H LYS A 62 7.994 -3.684 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 62 9.556 -5.593 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.944 -6.230 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.278 -6.574 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.160 -4.325 -3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.862 -4.090 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.406 -6.211 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.703 -6.454 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.485 -5.381 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.766 -4.061 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.770 -3.108 -5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.267 -4.078 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.561 -4.581 -6.050 1.00 0.00 H new ATOM 930 N ASP A 63 11.595 -3.978 0.176 1.00 0.00 N ATOM 931 CA ASP A 63 12.558 -2.864 0.413 1.00 0.00 C ATOM 932 C ASP A 63 11.922 -1.800 1.306 1.00 0.00 C ATOM 933 O ASP A 63 11.925 -0.629 0.988 1.00 0.00 O ATOM 934 CB ASP A 63 12.984 -2.244 -0.925 1.00 0.00 C ATOM 935 CG ASP A 63 13.920 -3.209 -1.659 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.379 -4.152 -1.033 1.00 0.00 O ATOM 937 OD2 ASP A 63 14.167 -2.986 -2.832 1.00 0.00 O ATOM 0 H ASP A 63 11.937 -4.901 0.443 1.00 0.00 H new ATOM 0 HA ASP A 63 13.440 -3.262 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.107 -2.035 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.487 -1.292 -0.753 1.00 0.00 H new ATOM 942 N ILE A 64 11.389 -2.195 2.430 1.00 0.00 N ATOM 943 CA ILE A 64 10.768 -1.199 3.346 1.00 0.00 C ATOM 944 C ILE A 64 11.865 -0.490 4.141 1.00 0.00 C ATOM 945 O ILE A 64 12.639 -1.116 4.836 1.00 0.00 O ATOM 946 CB ILE A 64 9.824 -1.917 4.311 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.655 -2.510 3.524 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.294 -0.921 5.345 1.00 0.00 C ATOM 949 CD1 ILE A 64 7.859 -3.457 4.423 1.00 0.00 C ATOM 0 H ILE A 64 11.357 -3.162 2.752 1.00 0.00 H new ATOM 0 HA ILE A 64 10.207 -0.467 2.765 1.00 0.00 H new ATOM 0 HB ILE A 64 10.362 -2.715 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.009 -1.713 3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.026 -3.047 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.621 -1.434 6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.129 -0.497 5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.754 -0.122 4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.026 -3.879 3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.508 -4.262 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.475 -2.906 5.282 1.00 0.00 H new ATOM 961 N LYS A 65 11.939 0.814 4.045 1.00 0.00 N ATOM 962 CA LYS A 65 12.989 1.567 4.799 1.00 0.00 C ATOM 963 C LYS A 65 12.418 2.894 5.301 1.00 0.00 C ATOM 964 O LYS A 65 11.524 3.463 4.711 1.00 0.00 O ATOM 965 CB LYS A 65 14.191 1.820 3.885 1.00 0.00 C ATOM 966 CG LYS A 65 13.787 2.736 2.723 1.00 0.00 C ATOM 967 CD LYS A 65 14.964 2.882 1.738 1.00 0.00 C ATOM 968 CE LYS A 65 14.944 1.738 0.716 1.00 0.00 C ATOM 969 NZ LYS A 65 13.659 1.771 -0.036 1.00 0.00 N ATOM 0 H LYS A 65 11.318 1.390 3.477 1.00 0.00 H new ATOM 0 HA LYS A 65 13.312 0.978 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 65 15.000 2.277 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.569 0.874 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.919 2.324 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.496 3.715 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.900 3.841 1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.908 2.876 2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.784 1.835 0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.057 0.780 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.847 1.643 -1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.040 1.006 0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.191 2.687 0.116 1.00 0.00 H new ATOM 983 N ASP A 66 12.926 3.379 6.400 1.00 0.00 N ATOM 984 CA ASP A 66 12.419 4.659 6.965 1.00 0.00 C ATOM 985 C ASP A 66 12.815 5.832 6.065 1.00 0.00 C ATOM 986 O ASP A 66 13.907 5.883 5.536 1.00 0.00 O ATOM 987 CB ASP A 66 13.011 4.851 8.361 1.00 0.00 C ATOM 988 CG ASP A 66 12.414 6.102 9.001 1.00 0.00 C ATOM 989 OD1 ASP A 66 12.651 7.180 8.482 1.00 0.00 O ATOM 990 OD2 ASP A 66 11.730 5.960 10.000 1.00 0.00 O ATOM 0 H ASP A 66 13.676 2.940 6.934 1.00 0.00 H new ATOM 0 HA ASP A 66 11.331 4.624 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.801 3.978 8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.095 4.944 8.298 1.00 0.00 H new ATOM 995 N GLU A 67 11.931 6.778 5.891 1.00 0.00 N ATOM 996 CA GLU A 67 12.245 7.952 5.031 1.00 0.00 C ATOM 997 C GLU A 67 13.096 8.951 5.825 1.00 0.00 C ATOM 998 O GLU A 67 12.702 10.076 6.055 1.00 0.00 O ATOM 999 CB GLU A 67 10.938 8.614 4.597 1.00 0.00 C ATOM 1000 CG GLU A 67 11.220 9.648 3.509 1.00 0.00 C ATOM 1001 CD GLU A 67 11.595 8.929 2.211 1.00 0.00 C ATOM 1002 OE1 GLU A 67 11.498 7.714 2.181 1.00 0.00 O ATOM 1003 OE2 GLU A 67 11.970 9.607 1.269 1.00 0.00 O ATOM 0 H GLU A 67 11.001 6.786 6.310 1.00 0.00 H new ATOM 0 HA GLU A 67 12.800 7.631 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.244 7.861 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.460 9.093 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.342 10.274 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.030 10.308 3.820 1.00 0.00 H new ATOM 1010 N VAL A 68 14.262 8.534 6.239 1.00 0.00 N ATOM 1011 CA VAL A 68 15.170 9.430 7.017 1.00 0.00 C ATOM 1012 C VAL A 68 14.486 9.915 8.297 1.00 0.00 C ATOM 1013 O VAL A 68 13.397 10.447 8.274 1.00 0.00 O ATOM 1014 CB VAL A 68 15.564 10.632 6.161 1.00 0.00 C ATOM 1015 CG1 VAL A 68 16.755 11.345 6.807 1.00 0.00 C ATOM 1016 CG2 VAL A 68 15.959 10.146 4.765 1.00 0.00 C ATOM 0 H VAL A 68 14.630 7.598 6.069 1.00 0.00 H new ATOM 0 HA VAL A 68 16.062 8.866 7.291 1.00 0.00 H new ATOM 0 HB VAL A 68 14.724 11.322 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.039 12.204 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.478 11.684 7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.597 10.656 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.241 11.000 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.803 9.460 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.115 9.631 4.307 1.00 0.00 H new ATOM 1026 N LEU A 69 15.133 9.736 9.416 1.00 0.00 N ATOM 1027 CA LEU A 69 14.543 10.183 10.707 1.00 0.00 C ATOM 1028 C LEU A 69 14.586 11.709 10.788 1.00 0.00 C ATOM 1029 O LEU A 69 15.530 12.338 10.358 1.00 0.00 O ATOM 1030 CB LEU A 69 15.359 9.590 11.862 1.00 0.00 C ATOM 1031 CG LEU A 69 15.382 8.059 11.748 1.00 0.00 C ATOM 1032 CD1 LEU A 69 16.260 7.482 12.862 1.00 0.00 C ATOM 1033 CD2 LEU A 69 13.954 7.500 11.874 1.00 0.00 C ATOM 0 H LEU A 69 16.050 9.297 9.491 1.00 0.00 H new ATOM 0 HA LEU A 69 13.508 9.847 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.376 9.981 11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.924 9.887 12.817 1.00 0.00 H new ATOM 0 HG LEU A 69 15.788 7.777 10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.279 6.395 12.784 1.00 0.00 H new ATOM 0 HD12 LEU A 69 17.274 7.870 12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.853 7.769 13.832 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.980 6.413 11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.537 7.781 12.841 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.332 7.909 11.078 1.00 0.00 H new ATOM 1045 N GLU A 70 13.568 12.307 11.343 1.00 0.00 N ATOM 1046 CA GLU A 70 13.543 13.791 11.464 1.00 0.00 C ATOM 1047 C GLU A 70 12.602 14.179 12.604 1.00 0.00 C ATOM 1048 O GLU A 70 11.436 14.444 12.397 1.00 0.00 O ATOM 1049 CB GLU A 70 13.059 14.407 10.147 1.00 0.00 C ATOM 1050 CG GLU A 70 13.080 15.932 10.259 1.00 0.00 C ATOM 1051 CD GLU A 70 12.668 16.552 8.921 1.00 0.00 C ATOM 1052 OE1 GLU A 70 12.191 15.817 8.072 1.00 0.00 O ATOM 1053 OE2 GLU A 70 12.837 17.750 8.771 1.00 0.00 O ATOM 0 H GLU A 70 12.749 11.829 11.719 1.00 0.00 H new ATOM 0 HA GLU A 70 14.545 14.164 11.677 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.698 14.083 9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.050 14.062 9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.401 16.258 11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.077 16.272 10.537 1.00 0.00 H new ATOM 1060 N HIS A 71 13.109 14.206 13.811 1.00 0.00 N ATOM 1061 CA HIS A 71 12.267 14.568 14.991 1.00 0.00 C ATOM 1062 C HIS A 71 10.894 13.897 14.884 1.00 0.00 C ATOM 1063 O HIS A 71 9.968 14.440 14.317 1.00 0.00 O ATOM 1064 CB HIS A 71 12.113 16.088 15.057 1.00 0.00 C ATOM 1065 CG HIS A 71 13.468 16.709 15.276 1.00 0.00 C ATOM 1066 ND1 HIS A 71 13.675 18.080 15.227 1.00 0.00 N ATOM 1067 CD2 HIS A 71 14.699 16.156 15.540 1.00 0.00 C ATOM 1068 CE1 HIS A 71 14.982 18.302 15.457 1.00 0.00 C ATOM 1069 NE2 HIS A 71 15.651 17.165 15.654 1.00 0.00 N ATOM 0 H HIS A 71 14.081 13.990 14.031 1.00 0.00 H new ATOM 0 HA HIS A 71 12.751 14.218 15.903 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.672 16.462 14.133 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.437 16.363 15.867 1.00 0.00 H new ATOM 0 HD2 HIS A 71 14.897 15.099 15.643 1.00 0.00 H new ATOM 0 HE1 HIS A 71 15.435 19.282 15.479 1.00 0.00 H new ATOM 0 HE2 HIS A 71 16.647 17.058 15.847 1.00 0.00 H new ATOM 1077 N HIS A 72 10.762 12.711 15.422 1.00 0.00 N ATOM 1078 CA HIS A 72 9.460 11.988 15.351 1.00 0.00 C ATOM 1079 C HIS A 72 8.410 12.712 16.198 1.00 0.00 C ATOM 1080 O HIS A 72 8.683 13.178 17.286 1.00 0.00 O ATOM 1081 CB HIS A 72 9.645 10.558 15.865 1.00 0.00 C ATOM 1082 CG HIS A 72 9.987 10.581 17.330 1.00 0.00 C ATOM 1083 ND1 HIS A 72 11.130 10.942 18.000 1.00 0.00 N flip ATOM 1084 CD2 HIS A 72 9.088 10.179 18.304 1.00 0.00 C flip ATOM 1085 CE1 HIS A 72 10.944 10.767 19.369 1.00 0.00 C flip ATOM 1086 NE2 HIS A 72 9.698 10.305 19.497 1.00 0.00 N flip ATOM 0 H HIS A 72 11.506 12.211 15.910 1.00 0.00 H new ATOM 0 HA HIS A 72 9.119 11.962 14.316 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.733 9.984 15.705 1.00 0.00 H new ATOM 0 HB3 HIS A 72 10.437 10.061 15.305 1.00 0.00 H new ATOM 0 HD2 HIS A 72 8.080 9.828 18.136 1.00 0.00 H new ATOM 0 HE1 HIS A 72 11.655 10.963 20.158 1.00 0.00 H new ATOM 0 HE2 HIS A 72 9.262 10.076 20.390 1.00 0.00 H new ATOM 1094 N HIS A 73 7.209 12.819 15.696 1.00 0.00 N ATOM 1095 CA HIS A 73 6.139 13.523 16.454 1.00 0.00 C ATOM 1096 C HIS A 73 5.644 12.653 17.613 1.00 0.00 C ATOM 1097 O HIS A 73 5.355 11.486 17.448 1.00 0.00 O ATOM 1098 CB HIS A 73 4.974 13.834 15.509 1.00 0.00 C ATOM 1099 CG HIS A 73 4.310 12.555 15.069 1.00 0.00 C ATOM 1100 ND1 HIS A 73 4.810 11.310 14.770 1.00 0.00 N flip ATOM 1101 CD2 HIS A 73 2.940 12.468 14.877 1.00 0.00 C flip ATOM 1102 CE1 HIS A 73 3.768 10.465 14.400 1.00 0.00 C flip ATOM 1103 NE2 HIS A 73 2.664 11.212 14.481 1.00 0.00 N flip ATOM 0 H HIS A 73 6.924 12.447 14.790 1.00 0.00 H new ATOM 0 HA HIS A 73 6.542 14.450 16.862 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.249 14.475 16.011 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.337 14.382 14.640 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.224 13.264 15.019 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.837 9.427 14.109 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.726 10.872 14.269 1.00 0.00 H new ATOM 1111 N HIS A 74 5.538 13.223 18.784 1.00 0.00 N ATOM 1112 CA HIS A 74 5.054 12.450 19.964 1.00 0.00 C ATOM 1113 C HIS A 74 4.381 13.411 20.940 1.00 0.00 C ATOM 1114 O HIS A 74 4.847 14.511 21.155 1.00 0.00 O ATOM 1115 CB HIS A 74 6.234 11.763 20.651 1.00 0.00 C ATOM 1116 CG HIS A 74 5.718 10.859 21.736 1.00 0.00 C ATOM 1117 ND1 HIS A 74 4.926 9.756 21.462 1.00 0.00 N ATOM 1118 CD2 HIS A 74 5.865 10.887 23.099 1.00 0.00 C ATOM 1119 CE1 HIS A 74 4.630 9.169 22.636 1.00 0.00 C ATOM 1120 NE2 HIS A 74 5.177 9.818 23.666 1.00 0.00 N ATOM 0 H HIS A 74 5.768 14.198 18.974 1.00 0.00 H new ATOM 0 HA HIS A 74 4.342 11.691 19.640 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.808 11.188 19.925 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.909 12.508 21.073 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.429 11.626 23.649 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.024 8.281 22.733 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.106 9.582 24.656 1.00 0.00 H new ATOM 1128 N HIS A 75 3.282 13.009 21.530 1.00 0.00 N ATOM 1129 CA HIS A 75 2.561 13.902 22.492 1.00 0.00 C ATOM 1130 C HIS A 75 2.772 13.403 23.922 1.00 0.00 C ATOM 1131 O HIS A 75 2.701 12.222 24.197 1.00 0.00 O ATOM 1132 CB HIS A 75 1.069 13.884 22.159 1.00 0.00 C ATOM 1133 CG HIS A 75 0.860 14.501 20.802 1.00 0.00 C ATOM 1134 ND1 HIS A 75 0.946 15.867 20.591 1.00 0.00 N ATOM 1135 CD2 HIS A 75 0.574 13.949 19.578 1.00 0.00 C ATOM 1136 CE1 HIS A 75 0.716 16.091 19.284 1.00 0.00 C ATOM 1137 NE2 HIS A 75 0.483 14.955 18.620 1.00 0.00 N ATOM 0 H HIS A 75 2.851 12.096 21.386 1.00 0.00 H new ATOM 0 HA HIS A 75 2.948 14.918 22.411 1.00 0.00 H new ATOM 0 HB2 HIS A 75 0.694 12.861 22.169 1.00 0.00 H new ATOM 0 HB3 HIS A 75 0.509 14.436 22.913 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.440 12.894 19.387 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.719 17.070 18.827 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.282 14.848 17.626 1.00 0.00 H new ATOM 1145 N HIS A 76 3.033 14.300 24.833 1.00 0.00 N ATOM 1146 CA HIS A 76 3.250 13.896 26.249 1.00 0.00 C ATOM 1147 C HIS A 76 1.909 13.536 26.893 1.00 0.00 C ATOM 1148 O HIS A 76 0.928 14.187 26.574 1.00 0.00 O ATOM 1149 CB HIS A 76 3.884 15.061 27.006 1.00 0.00 C ATOM 1150 CG HIS A 76 5.305 15.242 26.550 1.00 0.00 C ATOM 1151 ND1 HIS A 76 5.635 15.999 25.434 1.00 0.00 N ATOM 1152 CD2 HIS A 76 6.494 14.769 27.046 1.00 0.00 C ATOM 1153 CE1 HIS A 76 6.974 15.957 25.299 1.00 0.00 C ATOM 1154 NE2 HIS A 76 7.546 15.222 26.255 1.00 0.00 N ATOM 1155 OXT HIS A 76 1.888 12.619 27.696 1.00 0.00 O ATOM 0 H HIS A 76 3.105 15.302 24.655 1.00 0.00 H new ATOM 0 HA HIS A 76 3.909 13.028 26.287 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.316 15.974 26.831 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.857 14.869 28.079 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.598 14.140 27.918 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.519 16.457 24.512 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.541 15.033 26.379 1.00 0.00 H new TER 1163 HIS A 76