USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 872 hydrogens (12 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 59 LYS NZ :NH3+ -118:sc= 0.0392 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.081 USER MOD Set 2.1: A 43 TYR OH : rot 15:sc= 0.224 USER MOD Set 2.2: A 64 MET CE :methyl -166:sc= -2.41 (180deg=-1.4) USER MOD Set 2.3: A 80 GLN : amide:sc= -3.23 K(o=-5.4,f=-10!) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0.293 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.369 X(o=0.66,f=0.71) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00209 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 150:sc=-0.00876 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.08 K(o=1.1,f=-0.01) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -71:sc= 0.0798 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 1.21 (180deg=0.879) USER MOD Single : A 61 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 71 TYR OH : rot -174:sc= 0.62 USER MOD Single : A 77 ASN : amide:sc= 0.103 X(o=0.1,f=-0.004) USER MOD Single : A 78 MET CE :methyl 156:sc= -0.035 (180deg=-1.33) USER MOD Single : A 81 TYR OH : rot -166:sc= 0.328 USER MOD Single : A 84 ASN : amide:sc= -0.0779 X(o=-0.078,f=-0.078) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.812) USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.779) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 83:sc= 0.368 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ATP O2' : rot 180:sc= 0 USER MOD Single : A 201 ATP O3' : rot 129:sc= 0.0426 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -31.731 19.390 -3.639 1.00 0.00 N ATOM 2 CA PRO A 1 -32.007 18.616 -4.867 1.00 0.00 C ATOM 3 C PRO A 1 -33.326 17.822 -4.808 1.00 0.00 C ATOM 4 O PRO A 1 -34.028 17.854 -3.798 1.00 0.00 O ATOM 5 CB PRO A 1 -30.770 17.728 -5.070 1.00 0.00 C ATOM 6 CG PRO A 1 -29.622 18.527 -4.427 1.00 0.00 C ATOM 7 CD PRO A 1 -30.306 19.743 -3.800 1.00 0.00 C ATOM 0 H2 PRO A 1 -31.893 18.838 -2.797 1.00 0.00 H new ATOM 0 H3 PRO A 1 -32.322 20.218 -3.571 1.00 0.00 H new ATOM 0 HA PRO A 1 -32.164 19.275 -5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -30.895 16.756 -4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -30.582 17.542 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -29.098 17.935 -3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -28.882 18.827 -5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -29.856 19.987 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -30.194 20.621 -4.436 1.00 0.00 H new ATOM 15 N SER A 2 -33.662 17.077 -5.865 1.00 0.00 N ATOM 16 CA SER A 2 -34.831 16.173 -5.896 1.00 0.00 C ATOM 17 C SER A 2 -34.676 14.952 -4.962 1.00 0.00 C ATOM 18 O SER A 2 -35.664 14.367 -4.517 1.00 0.00 O ATOM 19 CB SER A 2 -35.087 15.718 -7.341 1.00 0.00 C ATOM 20 OG SER A 2 -33.910 15.178 -7.936 1.00 0.00 O ATOM 0 H SER A 2 -33.129 17.080 -6.735 1.00 0.00 H new ATOM 0 HA SER A 2 -35.688 16.734 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.878 14.968 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.440 16.563 -7.932 1.00 0.00 H new ATOM 0 HG SER A 2 -34.107 14.897 -8.854 1.00 0.00 H new ATOM 26 N SER A 3 -33.442 14.609 -4.593 1.00 0.00 N ATOM 27 CA SER A 3 -33.069 13.633 -3.556 1.00 0.00 C ATOM 28 C SER A 3 -33.007 14.248 -2.138 1.00 0.00 C ATOM 29 O SER A 3 -32.502 13.624 -1.198 1.00 0.00 O ATOM 30 CB SER A 3 -31.723 13.005 -3.954 1.00 0.00 C ATOM 31 OG SER A 3 -30.734 14.005 -4.188 1.00 0.00 O ATOM 0 H SER A 3 -32.623 15.028 -5.034 1.00 0.00 H new ATOM 0 HA SER A 3 -33.845 12.869 -3.501 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.385 12.334 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.852 12.401 -4.852 1.00 0.00 H new ATOM 0 HG SER A 3 -29.889 13.577 -4.438 1.00 0.00 H new ATOM 37 N GLY A 4 -33.493 15.487 -1.968 1.00 0.00 N ATOM 38 CA GLY A 4 -33.447 16.248 -0.715 1.00 0.00 C ATOM 39 C GLY A 4 -32.074 16.884 -0.508 1.00 0.00 C ATOM 40 O GLY A 4 -31.546 17.543 -1.404 1.00 0.00 O ATOM 0 H GLY A 4 -33.943 16.002 -2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.212 17.024 -0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.676 15.589 0.123 1.00 0.00 H new ATOM 44 N SER A 5 -31.497 16.683 0.673 1.00 0.00 N ATOM 45 CA SER A 5 -30.163 17.183 1.056 1.00 0.00 C ATOM 46 C SER A 5 -29.039 16.148 0.822 1.00 0.00 C ATOM 47 O SER A 5 -27.913 16.322 1.297 1.00 0.00 O ATOM 48 CB SER A 5 -30.183 17.638 2.527 1.00 0.00 C ATOM 49 OG SER A 5 -31.190 18.619 2.761 1.00 0.00 O ATOM 0 H SER A 5 -31.950 16.154 1.418 1.00 0.00 H new ATOM 0 HA SER A 5 -29.937 18.031 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.357 16.777 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.208 18.046 2.795 1.00 0.00 H new ATOM 0 HG SER A 5 -31.176 18.884 3.704 1.00 0.00 H new ATOM 55 N SER A 6 -29.323 15.044 0.122 1.00 0.00 N ATOM 56 CA SER A 6 -28.372 13.948 -0.122 1.00 0.00 C ATOM 57 C SER A 6 -27.172 14.368 -0.999 1.00 0.00 C ATOM 58 O SER A 6 -27.321 15.092 -1.991 1.00 0.00 O ATOM 59 CB SER A 6 -29.109 12.756 -0.748 1.00 0.00 C ATOM 60 OG SER A 6 -28.281 11.599 -0.764 1.00 0.00 O ATOM 0 H SER A 6 -30.237 14.882 -0.300 1.00 0.00 H new ATOM 0 HA SER A 6 -27.955 13.662 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.019 12.549 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.413 13.005 -1.765 1.00 0.00 H new ATOM 0 HG SER A 6 -28.771 10.851 -1.165 1.00 0.00 H new ATOM 66 N GLY A 7 -25.970 13.902 -0.635 1.00 0.00 N ATOM 67 CA GLY A 7 -24.699 14.198 -1.309 1.00 0.00 C ATOM 68 C GLY A 7 -23.474 13.695 -0.539 1.00 0.00 C ATOM 69 O GLY A 7 -23.589 13.254 0.609 1.00 0.00 O ATOM 0 H GLY A 7 -25.852 13.285 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.707 13.745 -2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.613 15.275 -1.451 1.00 0.00 H new ATOM 73 N PHE A 8 -22.301 13.764 -1.174 1.00 0.00 N ATOM 74 CA PHE A 8 -21.022 13.276 -0.657 1.00 0.00 C ATOM 75 C PHE A 8 -20.031 14.414 -0.341 1.00 0.00 C ATOM 76 O PHE A 8 -20.198 15.555 -0.784 1.00 0.00 O ATOM 77 CB PHE A 8 -20.449 12.280 -1.677 1.00 0.00 C ATOM 78 CG PHE A 8 -20.088 12.865 -3.032 1.00 0.00 C ATOM 79 CD1 PHE A 8 -18.807 13.406 -3.253 1.00 0.00 C ATOM 80 CD2 PHE A 8 -21.032 12.862 -4.079 1.00 0.00 C ATOM 81 CE1 PHE A 8 -18.473 13.948 -4.507 1.00 0.00 C ATOM 82 CE2 PHE A 8 -20.698 13.403 -5.334 1.00 0.00 C ATOM 83 CZ PHE A 8 -19.419 13.947 -5.549 1.00 0.00 C ATOM 0 H PHE A 8 -22.214 14.179 -2.102 1.00 0.00 H new ATOM 0 HA PHE A 8 -21.189 12.778 0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -19.557 11.822 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -21.176 11.482 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -18.078 13.405 -2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -22.014 12.443 -3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -17.490 14.365 -4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -21.424 13.401 -6.133 1.00 0.00 H new ATOM 0 HZ PHE A 8 -19.163 14.363 -6.512 1.00 0.00 H new ATOM 93 N LEU A 9 -18.980 14.081 0.414 1.00 0.00 N ATOM 94 CA LEU A 9 -17.905 14.980 0.850 1.00 0.00 C ATOM 95 C LEU A 9 -16.622 14.188 1.154 1.00 0.00 C ATOM 96 O LEU A 9 -16.647 12.962 1.284 1.00 0.00 O ATOM 97 CB LEU A 9 -18.389 15.788 2.076 1.00 0.00 C ATOM 98 CG LEU A 9 -18.274 17.317 1.903 1.00 0.00 C ATOM 99 CD1 LEU A 9 -19.004 18.020 3.057 1.00 0.00 C ATOM 100 CD2 LEU A 9 -16.821 17.816 1.842 1.00 0.00 C ATOM 0 H LEU A 9 -18.848 13.129 0.755 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.661 15.678 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -19.429 15.533 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.810 15.487 2.949 1.00 0.00 H new ATOM 0 HG LEU A 9 -18.734 17.560 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.923 19.100 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -20.055 17.732 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.553 17.727 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.813 18.899 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.306 17.551 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.312 17.352 0.997 1.00 0.00 H new ATOM 112 N ASP A 10 -15.501 14.896 1.286 1.00 0.00 N ATOM 113 CA ASP A 10 -14.149 14.334 1.420 1.00 0.00 C ATOM 114 C ASP A 10 -13.261 15.178 2.351 1.00 0.00 C ATOM 115 O ASP A 10 -13.299 16.411 2.338 1.00 0.00 O ATOM 116 CB ASP A 10 -13.490 14.228 0.036 1.00 0.00 C ATOM 117 CG ASP A 10 -14.130 13.154 -0.858 1.00 0.00 C ATOM 118 OD1 ASP A 10 -13.819 11.954 -0.665 1.00 0.00 O ATOM 119 OD2 ASP A 10 -14.906 13.516 -1.774 1.00 0.00 O ATOM 0 H ASP A 10 -15.505 15.916 1.304 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.248 13.344 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.554 15.194 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.431 14.004 0.161 1.00 0.00 H new ATOM 124 N LYS A 11 -12.430 14.493 3.143 1.00 0.00 N ATOM 125 CA LYS A 11 -11.397 15.083 4.006 1.00 0.00 C ATOM 126 C LYS A 11 -10.123 15.508 3.229 1.00 0.00 C ATOM 127 O LYS A 11 -9.920 15.060 2.092 1.00 0.00 O ATOM 128 CB LYS A 11 -11.093 14.063 5.128 1.00 0.00 C ATOM 129 CG LYS A 11 -12.099 14.179 6.290 1.00 0.00 C ATOM 130 CD LYS A 11 -11.381 14.257 7.647 1.00 0.00 C ATOM 131 CE LYS A 11 -12.357 14.389 8.828 1.00 0.00 C ATOM 132 NZ LYS A 11 -13.144 13.148 9.065 1.00 0.00 N ATOM 0 H LYS A 11 -12.458 13.475 3.204 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.769 16.014 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.123 13.053 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.083 14.225 5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.716 15.067 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.769 13.320 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.771 13.364 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.702 15.109 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.798 14.637 9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.040 15.217 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.785 13.292 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.701 12.923 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.497 12.361 9.274 1.00 0.00 H new ATOM 146 N PRO A 12 -9.262 16.364 3.828 1.00 0.00 N ATOM 147 CA PRO A 12 -8.010 16.810 3.216 1.00 0.00 C ATOM 148 C PRO A 12 -6.979 15.677 3.121 1.00 0.00 C ATOM 149 O PRO A 12 -7.185 14.572 3.630 1.00 0.00 O ATOM 150 CB PRO A 12 -7.517 17.981 4.071 1.00 0.00 C ATOM 151 CG PRO A 12 -8.085 17.668 5.451 1.00 0.00 C ATOM 152 CD PRO A 12 -9.409 16.966 5.151 1.00 0.00 C ATOM 0 HA PRO A 12 -8.166 17.124 2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.429 18.038 4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.881 18.937 3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.414 17.028 6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.237 18.575 6.036 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.626 16.206 5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.237 17.675 5.166 1.00 0.00 H new ATOM 160 N THR A 13 -5.860 15.974 2.450 1.00 0.00 N ATOM 161 CA THR A 13 -4.843 14.999 2.029 1.00 0.00 C ATOM 162 C THR A 13 -3.533 15.663 1.620 1.00 0.00 C ATOM 163 O THR A 13 -3.438 16.887 1.512 1.00 0.00 O ATOM 164 CB THR A 13 -5.411 14.114 0.903 1.00 0.00 C ATOM 165 OG1 THR A 13 -4.561 13.011 0.669 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.571 14.895 -0.402 1.00 0.00 C ATOM 0 H THR A 13 -5.629 16.929 2.176 1.00 0.00 H new ATOM 0 HA THR A 13 -4.601 14.369 2.885 1.00 0.00 H new ATOM 0 HB THR A 13 -6.392 13.770 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.092 12.250 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.974 14.238 -1.172 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.253 15.730 -0.245 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.600 15.274 -0.720 1.00 0.00 H new ATOM 174 N LEU A 14 -2.526 14.819 1.399 1.00 0.00 N ATOM 175 CA LEU A 14 -1.155 15.169 1.025 1.00 0.00 C ATOM 176 C LEU A 14 -0.759 14.550 -0.331 1.00 0.00 C ATOM 177 O LEU A 14 0.358 14.778 -0.803 1.00 0.00 O ATOM 178 CB LEU A 14 -0.213 14.729 2.164 1.00 0.00 C ATOM 179 CG LEU A 14 -0.630 15.267 3.557 1.00 0.00 C ATOM 180 CD1 LEU A 14 -1.026 14.113 4.484 1.00 0.00 C ATOM 181 CD2 LEU A 14 0.498 16.093 4.189 1.00 0.00 C ATOM 0 H LEU A 14 -2.653 13.810 1.481 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.074 16.248 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.182 13.640 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.798 15.069 1.940 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.494 15.918 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.315 14.511 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.865 13.569 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.180 13.437 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.179 16.458 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.384 15.469 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.734 16.940 3.544 1.00 0.00 H new ATOM 193 N LEU A 15 -1.662 13.782 -0.962 1.00 0.00 N ATOM 194 CA LEU A 15 -1.465 13.209 -2.301 1.00 0.00 C ATOM 195 C LEU A 15 -1.675 14.242 -3.418 1.00 0.00 C ATOM 196 O LEU A 15 -2.008 15.407 -3.195 1.00 0.00 O ATOM 197 CB LEU A 15 -2.387 11.990 -2.538 1.00 0.00 C ATOM 198 CG LEU A 15 -2.368 10.883 -1.465 1.00 0.00 C ATOM 199 CD1 LEU A 15 -3.226 9.706 -1.951 1.00 0.00 C ATOM 200 CD2 LEU A 15 -0.944 10.394 -1.158 1.00 0.00 C ATOM 0 H LEU A 15 -2.562 13.539 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.426 12.880 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.411 12.352 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.117 11.541 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.772 11.299 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.220 8.917 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.249 10.044 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.819 9.320 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.983 9.615 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.494 9.992 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.344 11.228 -0.794 1.00 0.00 H new ATOM 212 N SER A 16 -1.510 13.778 -4.650 1.00 0.00 N ATOM 213 CA SER A 16 -1.738 14.515 -5.881 1.00 0.00 C ATOM 214 C SER A 16 -3.204 14.433 -6.336 1.00 0.00 C ATOM 215 O SER A 16 -3.879 13.434 -6.057 1.00 0.00 O ATOM 216 CB SER A 16 -0.832 13.904 -6.952 1.00 0.00 C ATOM 217 OG SER A 16 0.534 14.228 -6.731 1.00 0.00 O ATOM 0 H SER A 16 -1.196 12.823 -4.824 1.00 0.00 H new ATOM 0 HA SER A 16 -1.513 15.569 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.953 12.821 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.137 14.263 -7.935 1.00 0.00 H new ATOM 0 HG SER A 16 1.084 13.821 -7.432 1.00 0.00 H new ATOM 223 N PRO A 17 -3.686 15.419 -7.116 1.00 0.00 N ATOM 224 CA PRO A 17 -5.043 15.431 -7.659 1.00 0.00 C ATOM 225 C PRO A 17 -5.320 14.246 -8.591 1.00 0.00 C ATOM 226 O PRO A 17 -6.474 13.864 -8.749 1.00 0.00 O ATOM 227 CB PRO A 17 -5.177 16.777 -8.383 1.00 0.00 C ATOM 228 CG PRO A 17 -3.741 17.108 -8.790 1.00 0.00 C ATOM 229 CD PRO A 17 -2.920 16.544 -7.634 1.00 0.00 C ATOM 0 HA PRO A 17 -5.783 15.323 -6.866 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.833 16.703 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.596 17.543 -7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.473 16.644 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.591 18.181 -8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.935 16.223 -7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.761 17.298 -6.863 1.00 0.00 H new ATOM 237 N GLU A 18 -4.281 13.627 -9.164 1.00 0.00 N ATOM 238 CA GLU A 18 -4.400 12.461 -10.048 1.00 0.00 C ATOM 239 C GLU A 18 -4.562 11.145 -9.267 1.00 0.00 C ATOM 240 O GLU A 18 -5.249 10.236 -9.730 1.00 0.00 O ATOM 241 CB GLU A 18 -3.167 12.370 -10.965 1.00 0.00 C ATOM 242 CG GLU A 18 -2.903 13.662 -11.752 1.00 0.00 C ATOM 243 CD GLU A 18 -1.784 13.458 -12.785 1.00 0.00 C ATOM 244 OE1 GLU A 18 -0.593 13.621 -12.432 1.00 0.00 O ATOM 245 OE2 GLU A 18 -2.088 13.142 -13.960 1.00 0.00 O ATOM 0 H GLU A 18 -3.316 13.928 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.302 12.600 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.290 12.134 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.303 11.546 -11.666 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.816 13.978 -12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.627 14.461 -11.064 1.00 0.00 H new ATOM 252 N GLU A 19 -3.975 11.048 -8.069 1.00 0.00 N ATOM 253 CA GLU A 19 -4.015 9.860 -7.203 1.00 0.00 C ATOM 254 C GLU A 19 -5.427 9.617 -6.658 1.00 0.00 C ATOM 255 O GLU A 19 -5.976 8.516 -6.732 1.00 0.00 O ATOM 256 CB GLU A 19 -3.064 10.083 -6.016 1.00 0.00 C ATOM 257 CG GLU A 19 -1.586 9.867 -6.349 1.00 0.00 C ATOM 258 CD GLU A 19 -1.247 8.383 -6.537 1.00 0.00 C ATOM 259 OE1 GLU A 19 -1.119 7.671 -5.514 1.00 0.00 O ATOM 260 OE2 GLU A 19 -1.086 7.931 -7.694 1.00 0.00 O ATOM 0 H GLU A 19 -3.442 11.816 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.715 8.993 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.197 11.099 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.345 9.408 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.336 10.413 -7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.971 10.280 -5.550 1.00 0.00 H new ATOM 267 N LEU A 20 -6.017 10.683 -6.121 1.00 0.00 N ATOM 268 CA LEU A 20 -7.338 10.709 -5.492 1.00 0.00 C ATOM 269 C LEU A 20 -8.431 10.456 -6.532 1.00 0.00 C ATOM 270 O LEU A 20 -9.306 9.611 -6.340 1.00 0.00 O ATOM 271 CB LEU A 20 -7.524 12.090 -4.842 1.00 0.00 C ATOM 272 CG LEU A 20 -6.403 12.475 -3.849 1.00 0.00 C ATOM 273 CD1 LEU A 20 -6.232 13.994 -3.884 1.00 0.00 C ATOM 274 CD2 LEU A 20 -6.695 11.932 -2.445 1.00 0.00 C ATOM 0 H LEU A 20 -5.565 11.598 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.412 9.925 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.575 12.845 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.480 12.108 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.459 12.016 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.445 14.288 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.961 14.307 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.168 14.472 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.889 12.219 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.636 12.346 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.767 10.845 -2.483 1.00 0.00 H new ATOM 286 N LYS A 21 -8.337 11.141 -7.676 1.00 0.00 N ATOM 287 CA LYS A 21 -9.196 10.861 -8.836 1.00 0.00 C ATOM 288 C LYS A 21 -9.044 9.415 -9.349 1.00 0.00 C ATOM 289 O LYS A 21 -10.061 8.785 -9.637 1.00 0.00 O ATOM 290 CB LYS A 21 -8.953 11.892 -9.955 1.00 0.00 C ATOM 291 CG LYS A 21 -9.853 13.138 -9.876 1.00 0.00 C ATOM 292 CD LYS A 21 -9.918 13.834 -8.506 1.00 0.00 C ATOM 293 CE LYS A 21 -10.707 15.144 -8.627 1.00 0.00 C ATOM 294 NZ LYS A 21 -10.798 15.859 -7.327 1.00 0.00 N ATOM 0 H LYS A 21 -7.671 11.899 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.230 10.957 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.911 12.209 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.107 11.407 -10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.505 13.861 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.864 12.851 -10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.393 13.178 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.911 14.037 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.228 15.789 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.711 14.931 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.339 16.739 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.278 15.254 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.841 16.086 -6.988 1.00 0.00 H new ATOM 308 N ALA A 22 -7.833 8.846 -9.396 1.00 0.00 N ATOM 309 CA ALA A 22 -7.631 7.448 -9.808 1.00 0.00 C ATOM 310 C ALA A 22 -8.257 6.444 -8.820 1.00 0.00 C ATOM 311 O ALA A 22 -8.875 5.470 -9.250 1.00 0.00 O ATOM 312 CB ALA A 22 -6.134 7.191 -10.020 1.00 0.00 C ATOM 0 H ALA A 22 -6.972 9.335 -9.152 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.153 7.290 -10.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.982 6.156 -10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.757 7.857 -10.796 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.598 7.377 -9.090 1.00 0.00 H new ATOM 318 N ALA A 23 -8.175 6.713 -7.510 1.00 0.00 N ATOM 319 CA ALA A 23 -8.857 5.932 -6.475 1.00 0.00 C ATOM 320 C ALA A 23 -10.387 6.009 -6.608 1.00 0.00 C ATOM 321 O ALA A 23 -11.072 4.985 -6.594 1.00 0.00 O ATOM 322 CB ALA A 23 -8.385 6.431 -5.102 1.00 0.00 C ATOM 0 H ALA A 23 -7.627 7.488 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.600 4.879 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.882 5.861 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.306 6.299 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.631 7.487 -4.995 1.00 0.00 H new ATOM 328 N SER A 24 -10.922 7.216 -6.792 1.00 0.00 N ATOM 329 CA SER A 24 -12.361 7.473 -6.940 1.00 0.00 C ATOM 330 C SER A 24 -12.959 6.827 -8.203 1.00 0.00 C ATOM 331 O SER A 24 -14.044 6.240 -8.154 1.00 0.00 O ATOM 332 CB SER A 24 -12.589 8.991 -6.925 1.00 0.00 C ATOM 333 OG SER A 24 -13.972 9.305 -6.841 1.00 0.00 O ATOM 0 H SER A 24 -10.357 8.064 -6.844 1.00 0.00 H new ATOM 0 HA SER A 24 -12.883 7.008 -6.103 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.062 9.432 -6.079 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.168 9.433 -7.828 1.00 0.00 H new ATOM 0 HG SER A 24 -14.087 10.278 -6.832 1.00 0.00 H new ATOM 339 N ARG A 25 -12.214 6.843 -9.320 1.00 0.00 N ATOM 340 CA ARG A 25 -12.560 6.178 -10.578 1.00 0.00 C ATOM 341 C ARG A 25 -12.500 4.642 -10.500 1.00 0.00 C ATOM 342 O ARG A 25 -13.084 3.973 -11.357 1.00 0.00 O ATOM 343 CB ARG A 25 -11.627 6.711 -11.676 1.00 0.00 C ATOM 344 CG ARG A 25 -11.982 8.125 -12.166 1.00 0.00 C ATOM 345 CD ARG A 25 -13.279 8.169 -12.988 1.00 0.00 C ATOM 346 NE ARG A 25 -13.526 9.524 -13.512 1.00 0.00 N ATOM 347 CZ ARG A 25 -14.552 9.900 -14.268 1.00 0.00 C ATOM 348 NH1 ARG A 25 -15.494 9.055 -14.638 1.00 0.00 N ATOM 349 NH2 ARG A 25 -14.645 11.149 -14.669 1.00 0.00 N ATOM 0 H ARG A 25 -11.324 7.338 -9.369 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.600 6.410 -10.808 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.604 6.714 -11.299 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.652 6.027 -12.524 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.081 8.787 -11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.162 8.510 -12.772 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.214 7.462 -13.815 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -14.118 7.857 -12.367 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.843 10.243 -13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -15.449 8.080 -14.343 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.268 9.377 -15.219 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.931 11.826 -14.400 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.431 11.441 -15.249 1.00 0.00 H new ATOM 363 N GLY A 26 -11.844 4.076 -9.476 1.00 0.00 N ATOM 364 CA GLY A 26 -11.896 2.648 -9.149 1.00 0.00 C ATOM 365 C GLY A 26 -13.163 2.348 -8.350 1.00 0.00 C ATOM 366 O GLY A 26 -14.081 1.710 -8.865 1.00 0.00 O ATOM 0 H GLY A 26 -11.251 4.611 -8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.882 2.055 -10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.015 2.365 -8.572 1.00 0.00 H new ATOM 370 N ASN A 27 -13.232 2.878 -7.122 1.00 0.00 N ATOM 371 CA ASN A 27 -14.441 2.868 -6.271 1.00 0.00 C ATOM 372 C ASN A 27 -14.385 3.823 -5.054 1.00 0.00 C ATOM 373 O ASN A 27 -15.386 3.996 -4.355 1.00 0.00 O ATOM 374 CB ASN A 27 -14.731 1.432 -5.780 1.00 0.00 C ATOM 375 CG ASN A 27 -16.205 1.233 -5.431 1.00 0.00 C ATOM 376 OD1 ASN A 27 -17.088 1.386 -6.269 1.00 0.00 O ATOM 377 ND2 ASN A 27 -16.529 0.899 -4.195 1.00 0.00 N ATOM 0 H ASN A 27 -12.436 3.336 -6.678 1.00 0.00 H new ATOM 0 HA ASN A 27 -15.245 3.237 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.442 0.719 -6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.119 1.218 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -17.509 0.770 -3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.800 0.770 -3.494 1.00 0.00 H new ATOM 384 N GLY A 28 -13.216 4.413 -4.765 1.00 0.00 N ATOM 385 CA GLY A 28 -12.919 5.151 -3.524 1.00 0.00 C ATOM 386 C GLY A 28 -12.297 4.263 -2.431 1.00 0.00 C ATOM 387 O GLY A 28 -12.072 4.727 -1.313 1.00 0.00 O ATOM 0 H GLY A 28 -12.424 4.390 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.237 5.971 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.838 5.596 -3.143 1.00 0.00 H new ATOM 391 N GLU A 29 -12.019 2.998 -2.758 1.00 0.00 N ATOM 392 CA GLU A 29 -11.336 2.007 -1.920 1.00 0.00 C ATOM 393 C GLU A 29 -9.806 2.152 -1.963 1.00 0.00 C ATOM 394 O GLU A 29 -9.285 3.055 -2.611 1.00 0.00 O ATOM 395 CB GLU A 29 -11.745 0.599 -2.385 1.00 0.00 C ATOM 396 CG GLU A 29 -12.588 -0.135 -1.335 1.00 0.00 C ATOM 397 CD GLU A 29 -13.926 0.572 -1.070 1.00 0.00 C ATOM 398 OE1 GLU A 29 -14.724 0.725 -2.023 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.183 0.965 0.091 1.00 0.00 O ATOM 0 H GLU A 29 -12.279 2.615 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.638 2.174 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.310 0.675 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.850 0.016 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.778 -1.154 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.025 -0.206 -0.404 1.00 0.00 H new ATOM 406 N TYR A 30 -9.089 1.245 -1.284 1.00 0.00 N ATOM 407 CA TYR A 30 -7.625 1.207 -1.180 1.00 0.00 C ATOM 408 C TYR A 30 -7.098 -0.077 -0.516 1.00 0.00 C ATOM 409 O TYR A 30 -7.757 -0.671 0.343 1.00 0.00 O ATOM 410 CB TYR A 30 -7.120 2.429 -0.403 1.00 0.00 C ATOM 411 CG TYR A 30 -7.628 2.471 1.025 1.00 0.00 C ATOM 412 CD1 TYR A 30 -8.919 2.965 1.294 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.854 1.921 2.066 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.425 2.946 2.608 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.358 1.887 3.382 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.643 2.411 3.657 1.00 0.00 C ATOM 417 OH TYR A 30 -9.140 2.387 4.926 1.00 0.00 O ATOM 0 H TYR A 30 -9.534 0.485 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.242 1.221 -2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.030 2.424 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.431 3.336 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.523 3.360 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.872 1.524 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.409 3.340 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.765 1.462 4.178 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.479 1.987 5.529 1.00 0.00 H new ATOM 427 N ALA A 31 -5.882 -0.468 -0.893 1.00 0.00 N ATOM 428 CA ALA A 31 -5.137 -1.602 -0.351 1.00 0.00 C ATOM 429 C ALA A 31 -3.621 -1.416 -0.533 1.00 0.00 C ATOM 430 O ALA A 31 -3.171 -0.670 -1.404 1.00 0.00 O ATOM 431 CB ALA A 31 -5.638 -2.885 -1.032 1.00 0.00 C ATOM 0 H ALA A 31 -5.364 0.023 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.309 -1.673 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.092 -3.743 -0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.702 -3.010 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.475 -2.813 -2.107 1.00 0.00 H new ATOM 437 N TRP A 32 -2.844 -2.132 0.279 1.00 0.00 N ATOM 438 CA TRP A 32 -1.385 -2.235 0.174 1.00 0.00 C ATOM 439 C TRP A 32 -0.959 -3.648 -0.250 1.00 0.00 C ATOM 440 O TRP A 32 -1.579 -4.640 0.135 1.00 0.00 O ATOM 441 CB TRP A 32 -0.747 -1.851 1.514 1.00 0.00 C ATOM 442 CG TRP A 32 -0.634 -0.382 1.774 1.00 0.00 C ATOM 443 CD1 TRP A 32 -1.588 0.421 2.295 1.00 0.00 C ATOM 444 CD2 TRP A 32 0.523 0.475 1.529 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.094 1.708 2.411 1.00 0.00 N ATOM 446 CE2 TRP A 32 0.213 1.793 1.976 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.811 0.257 0.993 1.00 0.00 C ATOM 448 CZ2 TRP A 32 1.152 2.835 1.927 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.730 1.312 0.875 1.00 0.00 C ATOM 450 CH2 TRP A 32 2.403 2.593 1.346 1.00 0.00 C ATOM 0 H TRP A 32 -3.223 -2.675 1.055 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.038 -1.546 -0.596 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.331 -2.301 2.317 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.250 -2.289 1.561 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.582 0.107 2.577 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.630 2.497 2.773 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.093 -0.734 0.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.914 3.808 2.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.693 1.137 0.419 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.120 3.396 1.260 1.00 0.00 H new ATOM 461 N TYR A 33 0.135 -3.733 -1.010 1.00 0.00 N ATOM 462 CA TYR A 33 0.698 -4.975 -1.554 1.00 0.00 C ATOM 463 C TYR A 33 2.232 -5.012 -1.442 1.00 0.00 C ATOM 464 O TYR A 33 2.890 -3.972 -1.442 1.00 0.00 O ATOM 465 CB TYR A 33 0.291 -5.127 -3.030 1.00 0.00 C ATOM 466 CG TYR A 33 -1.156 -5.501 -3.300 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.177 -4.535 -3.203 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.472 -6.811 -3.709 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.512 -4.887 -3.476 1.00 0.00 C ATOM 470 CE2 TYR A 33 -2.803 -7.167 -3.996 1.00 0.00 C ATOM 471 CZ TYR A 33 -3.829 -6.204 -3.873 1.00 0.00 C ATOM 472 OH TYR A 33 -5.122 -6.538 -4.133 1.00 0.00 O ATOM 0 H TYR A 33 0.675 -2.909 -1.274 1.00 0.00 H new ATOM 0 HA TYR A 33 0.299 -5.801 -0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.501 -4.187 -3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.929 -5.885 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.935 -3.522 -2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.688 -7.547 -3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.295 -4.149 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.039 -8.173 -4.309 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.170 -7.481 -4.395 1.00 0.00 H new ATOM 482 N TYR A 34 2.803 -6.218 -1.412 1.00 0.00 N ATOM 483 CA TYR A 34 4.250 -6.487 -1.427 1.00 0.00 C ATOM 484 C TYR A 34 4.619 -7.518 -2.504 1.00 0.00 C ATOM 485 O TYR A 34 3.795 -8.367 -2.853 1.00 0.00 O ATOM 486 CB TYR A 34 4.705 -6.969 -0.039 1.00 0.00 C ATOM 487 CG TYR A 34 4.164 -8.314 0.413 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.913 -8.391 1.057 1.00 0.00 C ATOM 489 CD2 TYR A 34 4.917 -9.487 0.207 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.407 -9.633 1.483 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.421 -10.734 0.633 1.00 0.00 C ATOM 492 CZ TYR A 34 3.162 -10.810 1.274 1.00 0.00 C ATOM 493 OH TYR A 34 2.671 -12.012 1.688 1.00 0.00 O ATOM 0 H TYR A 34 2.249 -7.074 -1.375 1.00 0.00 H new ATOM 0 HA TYR A 34 4.767 -5.559 -1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.794 -7.018 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.416 -6.218 0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.339 -7.492 1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.879 -9.429 -0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.444 -9.687 1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.001 -11.631 0.471 1.00 0.00 H new ATOM 0 HH TYR A 34 3.312 -12.720 1.468 1.00 0.00 H new ATOM 503 N GLU A 35 5.852 -7.469 -3.024 1.00 0.00 N ATOM 504 CA GLU A 35 6.354 -8.508 -3.931 1.00 0.00 C ATOM 505 C GLU A 35 6.655 -9.794 -3.150 1.00 0.00 C ATOM 506 O GLU A 35 7.680 -9.899 -2.472 1.00 0.00 O ATOM 507 CB GLU A 35 7.602 -8.050 -4.706 1.00 0.00 C ATOM 508 CG GLU A 35 7.293 -6.992 -5.769 1.00 0.00 C ATOM 509 CD GLU A 35 8.370 -6.977 -6.868 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.543 -6.652 -6.573 1.00 0.00 O ATOM 511 OE2 GLU A 35 8.054 -7.308 -8.036 1.00 0.00 O ATOM 0 H GLU A 35 6.519 -6.722 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 35 5.572 -8.705 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.332 -7.648 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.063 -8.914 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.318 -7.193 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.233 -6.009 -5.301 1.00 0.00 H new ATOM 518 N GLY A 36 5.772 -10.788 -3.259 1.00 0.00 N ATOM 519 CA GLY A 36 5.984 -12.148 -2.760 1.00 0.00 C ATOM 520 C GLY A 36 6.647 -13.050 -3.802 1.00 0.00 C ATOM 521 O GLY A 36 6.918 -12.636 -4.932 1.00 0.00 O ATOM 0 H GLY A 36 4.865 -10.666 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.606 -12.112 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.027 -12.578 -2.466 1.00 0.00 H new ATOM 525 N ARG A 37 6.906 -14.305 -3.421 1.00 0.00 N ATOM 526 CA ARG A 37 7.676 -15.262 -4.235 1.00 0.00 C ATOM 527 C ARG A 37 6.958 -15.694 -5.530 1.00 0.00 C ATOM 528 O ARG A 37 7.610 -15.981 -6.534 1.00 0.00 O ATOM 529 CB ARG A 37 8.041 -16.467 -3.351 1.00 0.00 C ATOM 530 CG ARG A 37 9.286 -17.204 -3.876 1.00 0.00 C ATOM 531 CD ARG A 37 9.760 -18.359 -2.974 1.00 0.00 C ATOM 532 NE ARG A 37 9.865 -18.006 -1.540 1.00 0.00 N ATOM 533 CZ ARG A 37 10.636 -17.081 -0.972 1.00 0.00 C ATOM 534 NH1 ARG A 37 11.469 -16.330 -1.654 1.00 0.00 N ATOM 535 NH2 ARG A 37 10.569 -16.887 0.324 1.00 0.00 N ATOM 0 H ARG A 37 6.586 -14.692 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 37 8.581 -14.763 -4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.222 -16.128 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.199 -17.158 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.070 -17.598 -4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.099 -16.487 -3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.069 -19.195 -3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.733 -18.703 -3.324 1.00 0.00 H new ATOM 0 HE ARG A 37 9.271 -18.540 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.546 -16.442 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.039 -15.634 -1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.929 -17.443 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.157 -16.180 0.765 1.00 0.00 H new ATOM 549 N ASN A 38 5.619 -15.695 -5.516 1.00 0.00 N ATOM 550 CA ASN A 38 4.756 -16.081 -6.647 1.00 0.00 C ATOM 551 C ASN A 38 4.054 -14.893 -7.354 1.00 0.00 C ATOM 552 O ASN A 38 3.413 -15.085 -8.390 1.00 0.00 O ATOM 553 CB ASN A 38 3.739 -17.128 -6.155 1.00 0.00 C ATOM 554 CG ASN A 38 4.385 -18.436 -5.692 1.00 0.00 C ATOM 555 OD1 ASN A 38 5.382 -18.898 -6.232 1.00 0.00 O ATOM 556 ND2 ASN A 38 3.837 -19.068 -4.669 1.00 0.00 N ATOM 0 H ASN A 38 5.086 -15.419 -4.691 1.00 0.00 H new ATOM 0 HA ASN A 38 5.400 -16.506 -7.417 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.163 -16.705 -5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.035 -17.344 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.245 -19.939 -4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.006 -18.684 -4.218 1.00 0.00 H new ATOM 563 N GLY A 39 4.178 -13.671 -6.816 1.00 0.00 N ATOM 564 CA GLY A 39 3.602 -12.424 -7.345 1.00 0.00 C ATOM 565 C GLY A 39 3.278 -11.410 -6.244 1.00 0.00 C ATOM 566 O GLY A 39 3.609 -11.625 -5.078 1.00 0.00 O ATOM 0 H GLY A 39 4.708 -13.517 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.301 -11.976 -8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.693 -12.655 -7.900 1.00 0.00 H new ATOM 570 N TRP A 40 2.630 -10.301 -6.605 1.00 0.00 N ATOM 571 CA TRP A 40 2.102 -9.330 -5.640 1.00 0.00 C ATOM 572 C TRP A 40 1.017 -9.947 -4.742 1.00 0.00 C ATOM 573 O TRP A 40 0.044 -10.508 -5.251 1.00 0.00 O ATOM 574 CB TRP A 40 1.527 -8.119 -6.386 1.00 0.00 C ATOM 575 CG TRP A 40 2.521 -7.310 -7.152 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.755 -7.406 -8.479 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.422 -6.271 -6.661 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.734 -6.506 -8.840 1.00 0.00 N ATOM 579 CE2 TRP A 40 4.163 -5.755 -7.765 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.678 -5.704 -5.393 1.00 0.00 C ATOM 581 CZ2 TRP A 40 5.089 -4.711 -7.625 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.616 -4.667 -5.240 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.310 -4.159 -6.352 1.00 0.00 C ATOM 0 H TRP A 40 2.455 -10.049 -7.578 1.00 0.00 H new ATOM 0 HA TRP A 40 2.926 -9.017 -4.999 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.759 -8.469 -7.076 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.034 -7.469 -5.664 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.252 -8.084 -9.153 1.00 0.00 H new ATOM 0 HE1 TRP A 40 4.098 -6.407 -9.788 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.146 -6.072 -4.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.625 -4.336 -8.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.805 -4.257 -4.259 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.011 -3.347 -6.228 1.00 0.00 H new ATOM 594 N TRP A 41 1.147 -9.780 -3.420 1.00 0.00 N ATOM 595 CA TRP A 41 0.166 -10.236 -2.425 1.00 0.00 C ATOM 596 C TRP A 41 -0.242 -9.104 -1.472 1.00 0.00 C ATOM 597 O TRP A 41 0.561 -8.227 -1.151 1.00 0.00 O ATOM 598 CB TRP A 41 0.700 -11.464 -1.669 1.00 0.00 C ATOM 599 CG TRP A 41 1.030 -12.635 -2.541 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.212 -13.290 -2.580 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.187 -13.286 -3.536 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.183 -14.244 -3.580 1.00 0.00 N ATOM 603 CE2 TRP A 41 0.969 -14.252 -4.235 1.00 0.00 C ATOM 604 CE3 TRP A 41 -1.158 -13.140 -3.936 1.00 0.00 C ATOM 605 CZ2 TRP A 41 0.465 -14.980 -5.323 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.683 -13.879 -5.008 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.873 -14.788 -5.714 1.00 0.00 C ATOM 0 H TRP A 41 1.953 -9.315 -3.003 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.740 -10.537 -2.952 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.594 -11.175 -1.117 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.042 -11.773 -0.933 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.052 -13.097 -1.929 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.961 -14.864 -3.805 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.796 -12.447 -3.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.095 -15.678 -5.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.717 -13.749 -5.293 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.277 -15.336 -6.553 1.00 0.00 H new ATOM 618 N GLN A 42 -1.516 -9.104 -1.067 1.00 0.00 N ATOM 619 CA GLN A 42 -2.116 -8.033 -0.267 1.00 0.00 C ATOM 620 C GLN A 42 -1.755 -8.181 1.223 1.00 0.00 C ATOM 621 O GLN A 42 -1.725 -9.290 1.762 1.00 0.00 O ATOM 622 CB GLN A 42 -3.642 -8.044 -0.482 1.00 0.00 C ATOM 623 CG GLN A 42 -4.307 -6.725 -0.058 1.00 0.00 C ATOM 624 CD GLN A 42 -5.831 -6.780 -0.194 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.561 -7.053 0.750 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.381 -6.533 -1.368 1.00 0.00 N ATOM 0 H GLN A 42 -2.167 -9.857 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.717 -7.072 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.856 -8.233 -1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.079 -8.866 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.043 -6.502 0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.918 -5.910 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.792 -6.303 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.395 -6.572 -1.475 1.00 0.00 H new ATOM 635 N TYR A 43 -1.508 -7.056 1.902 1.00 0.00 N ATOM 636 CA TYR A 43 -1.304 -7.002 3.356 1.00 0.00 C ATOM 637 C TYR A 43 -2.574 -7.305 4.177 1.00 0.00 C ATOM 638 O TYR A 43 -3.706 -7.144 3.711 1.00 0.00 O ATOM 639 CB TYR A 43 -0.744 -5.622 3.737 1.00 0.00 C ATOM 640 CG TYR A 43 0.756 -5.504 3.590 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.595 -6.017 4.597 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.315 -4.876 2.463 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.992 -5.899 4.480 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.707 -4.736 2.345 1.00 0.00 C ATOM 645 CZ TYR A 43 3.546 -5.254 3.353 1.00 0.00 C ATOM 646 OH TYR A 43 4.895 -5.144 3.236 1.00 0.00 O ATOM 0 H TYR A 43 -1.443 -6.143 1.452 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.594 -7.791 3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.220 -4.864 3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.016 -5.404 4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.166 -6.502 5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.670 -4.499 1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.637 -6.300 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.132 -4.235 1.488 1.00 0.00 H new ATOM 0 HH TYR A 43 5.329 -5.754 3.869 1.00 0.00 H new ATOM 656 N ASP A 44 -2.376 -7.700 5.440 1.00 0.00 N ATOM 657 CA ASP A 44 -3.437 -7.852 6.443 1.00 0.00 C ATOM 658 C ASP A 44 -4.098 -6.502 6.785 1.00 0.00 C ATOM 659 O ASP A 44 -3.437 -5.463 6.776 1.00 0.00 O ATOM 660 CB ASP A 44 -2.831 -8.498 7.696 1.00 0.00 C ATOM 661 CG ASP A 44 -3.852 -8.614 8.830 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.715 -9.519 8.772 1.00 0.00 O ATOM 663 OD2 ASP A 44 -3.813 -7.752 9.735 1.00 0.00 O ATOM 0 H ASP A 44 -1.450 -7.929 5.802 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.223 -8.489 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.452 -9.489 7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.980 -7.907 8.033 1.00 0.00 H new ATOM 668 N GLU A 45 -5.387 -6.520 7.136 1.00 0.00 N ATOM 669 CA GLU A 45 -6.214 -5.324 7.353 1.00 0.00 C ATOM 670 C GLU A 45 -5.816 -4.525 8.603 1.00 0.00 C ATOM 671 O GLU A 45 -6.151 -3.343 8.709 1.00 0.00 O ATOM 672 CB GLU A 45 -7.706 -5.716 7.392 1.00 0.00 C ATOM 673 CG GLU A 45 -8.025 -6.873 8.356 1.00 0.00 C ATOM 674 CD GLU A 45 -9.534 -7.053 8.583 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.281 -7.286 7.604 1.00 0.00 O ATOM 676 OE2 GLU A 45 -9.970 -6.990 9.758 1.00 0.00 O ATOM 0 H GLU A 45 -5.900 -7.389 7.282 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.037 -4.656 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.293 -4.844 7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.024 -5.996 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.608 -7.798 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.537 -6.689 9.313 1.00 0.00 H new ATOM 683 N ARG A 46 -5.069 -5.138 9.532 1.00 0.00 N ATOM 684 CA ARG A 46 -4.532 -4.479 10.729 1.00 0.00 C ATOM 685 C ARG A 46 -3.094 -3.988 10.512 1.00 0.00 C ATOM 686 O ARG A 46 -2.599 -3.193 11.314 1.00 0.00 O ATOM 687 CB ARG A 46 -4.604 -5.421 11.948 1.00 0.00 C ATOM 688 CG ARG A 46 -5.905 -6.240 12.088 1.00 0.00 C ATOM 689 CD ARG A 46 -7.185 -5.404 11.920 1.00 0.00 C ATOM 690 NE ARG A 46 -8.401 -6.228 11.956 1.00 0.00 N ATOM 691 CZ ARG A 46 -9.049 -6.720 12.997 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.646 -6.554 14.240 1.00 0.00 N ATOM 693 NH2 ARG A 46 -10.148 -7.400 12.758 1.00 0.00 N ATOM 0 H ARG A 46 -4.817 -6.124 9.470 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.152 -3.604 10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.764 -6.114 11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.473 -4.826 12.852 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.903 -7.038 11.345 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.920 -6.717 13.068 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.233 -4.655 12.711 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.142 -4.865 10.973 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.803 -6.453 11.046 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.796 -6.024 14.434 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.184 -6.955 15.008 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.469 -7.530 11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.680 -7.798 13.532 1.00 0.00 H new ATOM 707 N THR A 47 -2.445 -4.415 9.415 1.00 0.00 N ATOM 708 CA THR A 47 -1.120 -3.943 8.988 1.00 0.00 C ATOM 709 C THR A 47 -1.249 -2.819 7.971 1.00 0.00 C ATOM 710 O THR A 47 -0.721 -1.737 8.200 1.00 0.00 O ATOM 711 CB THR A 47 -0.260 -5.096 8.453 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.021 -5.996 9.513 1.00 0.00 O ATOM 713 CG2 THR A 47 1.092 -4.591 7.949 1.00 0.00 C ATOM 0 H THR A 47 -2.839 -5.115 8.786 1.00 0.00 H new ATOM 0 HA THR A 47 -0.608 -3.542 9.862 1.00 0.00 H new ATOM 0 HB THR A 47 -0.789 -5.572 7.627 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.526 -6.742 9.191 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.678 -5.431 7.576 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.935 -3.873 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.628 -4.109 8.766 1.00 0.00 H new ATOM 721 N SER A 48 -1.988 -3.024 6.882 1.00 0.00 N ATOM 722 CA SER A 48 -2.137 -2.037 5.797 1.00 0.00 C ATOM 723 C SER A 48 -2.727 -0.703 6.266 1.00 0.00 C ATOM 724 O SER A 48 -2.355 0.356 5.751 1.00 0.00 O ATOM 725 CB SER A 48 -3.007 -2.613 4.673 1.00 0.00 C ATOM 726 OG SER A 48 -4.322 -2.905 5.123 1.00 0.00 O ATOM 0 H SER A 48 -2.508 -3.886 6.720 1.00 0.00 H new ATOM 0 HA SER A 48 -1.131 -1.831 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.054 -1.902 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.545 -3.521 4.285 1.00 0.00 H new ATOM 0 HG SER A 48 -4.300 -3.687 5.713 1.00 0.00 H new ATOM 732 N ARG A 49 -3.570 -0.732 7.308 1.00 0.00 N ATOM 733 CA ARG A 49 -4.121 0.477 7.916 1.00 0.00 C ATOM 734 C ARG A 49 -3.034 1.367 8.525 1.00 0.00 C ATOM 735 O ARG A 49 -3.184 2.581 8.521 1.00 0.00 O ATOM 736 CB ARG A 49 -5.249 0.129 8.901 1.00 0.00 C ATOM 737 CG ARG A 49 -4.801 -0.441 10.261 1.00 0.00 C ATOM 738 CD ARG A 49 -4.323 0.567 11.329 1.00 0.00 C ATOM 739 NE ARG A 49 -5.223 1.727 11.485 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.848 2.977 11.756 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.616 3.300 12.081 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.729 3.952 11.709 1.00 0.00 N ATOM 0 H ARG A 49 -3.886 -1.596 7.749 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.570 1.078 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.838 1.028 9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.910 -0.595 8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.633 -1.007 10.680 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.993 -1.149 10.080 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.233 0.055 12.287 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.327 0.922 11.063 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.223 1.556 11.375 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.897 2.579 12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.379 4.272 12.279 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.699 3.752 11.465 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.442 4.909 11.916 1.00 0.00 H new ATOM 756 N GLU A 50 -1.920 0.798 9.003 1.00 0.00 N ATOM 757 CA GLU A 50 -0.823 1.584 9.591 1.00 0.00 C ATOM 758 C GLU A 50 -0.097 2.379 8.496 1.00 0.00 C ATOM 759 O GLU A 50 0.293 3.530 8.691 1.00 0.00 O ATOM 760 CB GLU A 50 0.185 0.672 10.316 1.00 0.00 C ATOM 761 CG GLU A 50 -0.405 -0.172 11.456 1.00 0.00 C ATOM 762 CD GLU A 50 -0.656 0.660 12.723 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.603 1.480 12.731 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.084 0.491 13.721 1.00 0.00 O ATOM 0 H GLU A 50 -1.753 -0.208 8.995 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.255 2.272 10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.637 0.002 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.987 1.291 10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.342 -0.621 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.276 -0.991 11.690 1.00 0.00 H new ATOM 771 N LEU A 51 0.026 1.763 7.317 1.00 0.00 N ATOM 772 CA LEU A 51 0.705 2.289 6.137 1.00 0.00 C ATOM 773 C LEU A 51 -0.141 3.369 5.449 1.00 0.00 C ATOM 774 O LEU A 51 0.379 4.405 5.036 1.00 0.00 O ATOM 775 CB LEU A 51 0.987 1.112 5.181 1.00 0.00 C ATOM 776 CG LEU A 51 1.539 -0.178 5.823 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.730 -1.237 4.736 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.836 0.084 6.589 1.00 0.00 C ATOM 0 H LEU A 51 -0.367 0.836 7.155 1.00 0.00 H new ATOM 0 HA LEU A 51 1.643 2.761 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.061 0.865 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.697 1.448 4.426 1.00 0.00 H new ATOM 0 HG LEU A 51 0.820 -0.546 6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.120 -2.151 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.772 -1.446 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.434 -0.869 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.194 -0.848 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.589 0.477 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.651 0.810 7.381 1.00 0.00 H new ATOM 790 N GLU A 52 -1.456 3.141 5.378 1.00 0.00 N ATOM 791 CA GLU A 52 -2.436 4.131 4.924 1.00 0.00 C ATOM 792 C GLU A 52 -2.511 5.354 5.854 1.00 0.00 C ATOM 793 O GLU A 52 -2.507 6.492 5.383 1.00 0.00 O ATOM 794 CB GLU A 52 -3.809 3.460 4.759 1.00 0.00 C ATOM 795 CG GLU A 52 -4.926 4.428 4.321 1.00 0.00 C ATOM 796 CD GLU A 52 -5.755 5.008 5.484 1.00 0.00 C ATOM 797 OE1 GLU A 52 -6.228 4.234 6.350 1.00 0.00 O ATOM 798 OE2 GLU A 52 -6.012 6.235 5.496 1.00 0.00 O ATOM 0 H GLU A 52 -1.876 2.249 5.639 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.109 4.511 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.726 2.660 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.092 2.997 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.479 5.251 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.596 3.906 3.638 1.00 0.00 H new ATOM 805 N ASP A 53 -2.529 5.140 7.173 1.00 0.00 N ATOM 806 CA ASP A 53 -2.700 6.213 8.158 1.00 0.00 C ATOM 807 C ASP A 53 -1.481 7.134 8.150 1.00 0.00 C ATOM 808 O ASP A 53 -1.595 8.347 8.247 1.00 0.00 O ATOM 809 CB ASP A 53 -2.890 5.578 9.542 1.00 0.00 C ATOM 810 CG ASP A 53 -3.355 6.524 10.660 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.955 7.587 10.380 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.182 6.136 11.840 1.00 0.00 O ATOM 0 H ASP A 53 -2.425 4.215 7.589 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.575 6.813 7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.616 4.770 9.452 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.945 5.126 9.845 1.00 0.00 H new ATOM 817 N ALA A 54 -0.308 6.539 7.954 1.00 0.00 N ATOM 818 CA ALA A 54 0.971 7.223 7.825 1.00 0.00 C ATOM 819 C ALA A 54 1.039 8.198 6.632 1.00 0.00 C ATOM 820 O ALA A 54 1.384 9.363 6.850 1.00 0.00 O ATOM 821 CB ALA A 54 2.037 6.134 7.788 1.00 0.00 C ATOM 0 H ALA A 54 -0.221 5.526 7.878 1.00 0.00 H new ATOM 0 HA ALA A 54 1.133 7.885 8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.022 6.592 7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.996 5.553 8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.857 5.478 6.937 1.00 0.00 H new ATOM 827 N PHE A 55 0.653 7.790 5.410 1.00 0.00 N ATOM 828 CA PHE A 55 0.589 8.738 4.279 1.00 0.00 C ATOM 829 C PHE A 55 -0.498 9.804 4.488 1.00 0.00 C ATOM 830 O PHE A 55 -0.408 10.905 3.953 1.00 0.00 O ATOM 831 CB PHE A 55 0.473 8.029 2.910 1.00 0.00 C ATOM 832 CG PHE A 55 -0.900 7.588 2.419 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.865 8.534 2.014 1.00 0.00 C ATOM 834 CD2 PHE A 55 -1.175 6.219 2.248 1.00 0.00 C ATOM 835 CE1 PHE A 55 -3.103 8.114 1.495 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.399 5.797 1.695 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.370 6.745 1.330 1.00 0.00 C ATOM 0 H PHE A 55 0.386 6.833 5.181 1.00 0.00 H new ATOM 0 HA PHE A 55 1.544 9.263 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.892 8.697 2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.110 7.145 2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.652 9.589 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.440 5.485 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.850 8.845 1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.592 4.744 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.317 6.422 0.924 1.00 0.00 H new ATOM 847 N SER A 56 -1.502 9.479 5.299 1.00 0.00 N ATOM 848 CA SER A 56 -2.613 10.375 5.660 1.00 0.00 C ATOM 849 C SER A 56 -2.257 11.383 6.779 1.00 0.00 C ATOM 850 O SER A 56 -2.836 12.469 6.858 1.00 0.00 O ATOM 851 CB SER A 56 -3.833 9.529 6.056 1.00 0.00 C ATOM 852 OG SER A 56 -5.041 10.269 5.934 1.00 0.00 O ATOM 0 H SER A 56 -1.573 8.561 5.739 1.00 0.00 H new ATOM 0 HA SER A 56 -2.840 10.981 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.883 8.642 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.719 9.183 7.083 1.00 0.00 H new ATOM 0 HG SER A 56 -5.799 9.703 6.191 1.00 0.00 H new ATOM 858 N LYS A 57 -1.266 11.066 7.627 1.00 0.00 N ATOM 859 CA LYS A 57 -0.779 11.921 8.719 1.00 0.00 C ATOM 860 C LYS A 57 0.210 12.985 8.222 1.00 0.00 C ATOM 861 O LYS A 57 0.148 14.138 8.658 1.00 0.00 O ATOM 862 CB LYS A 57 -0.091 11.036 9.774 1.00 0.00 C ATOM 863 CG LYS A 57 -1.072 10.326 10.724 1.00 0.00 C ATOM 864 CD LYS A 57 -0.454 9.047 11.316 1.00 0.00 C ATOM 865 CE LYS A 57 0.898 9.270 12.013 1.00 0.00 C ATOM 866 NZ LYS A 57 0.729 9.681 13.434 1.00 0.00 N ATOM 0 H LYS A 57 -0.766 10.179 7.569 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.634 12.443 9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.515 10.286 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.590 11.651 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.354 11.003 11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.985 10.075 10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.153 8.616 12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.324 8.316 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.485 8.353 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.460 10.035 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.664 9.821 13.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.190 10.570 13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.215 8.939 13.951 1.00 0.00 H new ATOM 880 N GLY A 58 1.129 12.590 7.330 1.00 0.00 N ATOM 881 CA GLY A 58 2.196 13.443 6.794 1.00 0.00 C ATOM 882 C GLY A 58 3.603 12.892 7.004 1.00 0.00 C ATOM 883 O GLY A 58 4.550 13.456 6.455 1.00 0.00 O ATOM 0 H GLY A 58 1.150 11.643 6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.030 13.586 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.129 14.426 7.261 1.00 0.00 H new ATOM 887 N LYS A 59 3.771 11.801 7.767 1.00 0.00 N ATOM 888 CA LYS A 59 5.054 11.097 7.830 1.00 0.00 C ATOM 889 C LYS A 59 5.426 10.456 6.480 1.00 0.00 C ATOM 890 O LYS A 59 4.567 10.133 5.658 1.00 0.00 O ATOM 891 CB LYS A 59 5.085 10.083 8.992 1.00 0.00 C ATOM 892 CG LYS A 59 3.858 9.164 9.076 1.00 0.00 C ATOM 893 CD LYS A 59 4.093 7.938 9.968 1.00 0.00 C ATOM 894 CE LYS A 59 4.664 8.249 11.360 1.00 0.00 C ATOM 895 NZ LYS A 59 4.906 7.003 12.138 1.00 0.00 N ATOM 0 H LYS A 59 3.037 11.392 8.345 1.00 0.00 H new ATOM 0 HA LYS A 59 5.824 11.840 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.978 9.466 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.177 10.630 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.011 9.731 9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.589 8.832 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.148 7.409 10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.775 7.259 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.597 8.803 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.971 8.891 11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.314 7.007 12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.666 6.177 11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.908 6.954 12.412 1.00 0.00 H new ATOM 909 N LYS A 60 6.728 10.249 6.269 1.00 0.00 N ATOM 910 CA LYS A 60 7.301 9.695 5.031 1.00 0.00 C ATOM 911 C LYS A 60 7.734 8.223 5.166 1.00 0.00 C ATOM 912 O LYS A 60 8.225 7.620 4.215 1.00 0.00 O ATOM 913 CB LYS A 60 8.403 10.654 4.538 1.00 0.00 C ATOM 914 CG LYS A 60 9.755 10.558 5.257 1.00 0.00 C ATOM 915 CD LYS A 60 10.583 11.835 5.031 1.00 0.00 C ATOM 916 CE LYS A 60 12.012 11.703 5.582 1.00 0.00 C ATOM 917 NZ LYS A 60 12.957 11.184 4.559 1.00 0.00 N ATOM 0 H LYS A 60 7.435 10.467 6.971 1.00 0.00 H new ATOM 0 HA LYS A 60 6.532 9.641 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.566 10.472 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.036 11.676 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.595 10.407 6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.306 9.692 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.625 12.055 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.086 12.678 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.356 12.676 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.008 11.036 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.852 10.918 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.544 10.349 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.137 11.921 3.847 1.00 0.00 H new ATOM 931 N ASN A 61 7.539 7.637 6.351 1.00 0.00 N ATOM 932 CA ASN A 61 7.832 6.239 6.683 1.00 0.00 C ATOM 933 C ASN A 61 7.247 5.874 8.053 1.00 0.00 C ATOM 934 O ASN A 61 7.083 6.741 8.915 1.00 0.00 O ATOM 935 CB ASN A 61 9.340 5.923 6.631 1.00 0.00 C ATOM 936 CG ASN A 61 10.143 6.689 7.673 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.479 6.184 8.736 1.00 0.00 O ATOM 938 ND2 ASN A 61 10.451 7.937 7.382 1.00 0.00 N ATOM 0 H ASN A 61 7.154 8.150 7.144 1.00 0.00 H new ATOM 0 HA ASN A 61 7.354 5.624 5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.487 4.853 6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.722 6.161 5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.979 8.501 8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.162 8.339 6.490 1.00 0.00 H new ATOM 945 N THR A 62 6.937 4.591 8.246 1.00 0.00 N ATOM 946 CA THR A 62 6.271 4.041 9.442 1.00 0.00 C ATOM 947 C THR A 62 6.725 2.611 9.724 1.00 0.00 C ATOM 948 O THR A 62 7.504 2.056 8.959 1.00 0.00 O ATOM 949 CB THR A 62 4.751 4.201 9.321 1.00 0.00 C ATOM 950 OG1 THR A 62 4.218 4.129 10.623 1.00 0.00 O ATOM 951 CG2 THR A 62 4.089 3.157 8.418 1.00 0.00 C ATOM 0 H THR A 62 7.148 3.874 7.551 1.00 0.00 H new ATOM 0 HA THR A 62 6.573 4.613 10.319 1.00 0.00 H new ATOM 0 HB THR A 62 4.544 5.161 8.847 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.244 4.230 10.584 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.014 3.336 8.383 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.503 3.231 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.278 2.160 8.815 1.00 0.00 H new ATOM 959 N GLU A 63 6.266 2.017 10.820 1.00 0.00 N ATOM 960 CA GLU A 63 6.713 0.718 11.330 1.00 0.00 C ATOM 961 C GLU A 63 5.555 -0.285 11.436 1.00 0.00 C ATOM 962 O GLU A 63 4.420 0.078 11.755 1.00 0.00 O ATOM 963 CB GLU A 63 7.365 0.916 12.706 1.00 0.00 C ATOM 964 CG GLU A 63 8.750 1.562 12.573 1.00 0.00 C ATOM 965 CD GLU A 63 9.437 1.860 13.917 1.00 0.00 C ATOM 966 OE1 GLU A 63 8.982 1.392 14.986 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.480 2.556 13.899 1.00 0.00 O ATOM 0 H GLU A 63 5.544 2.441 11.403 1.00 0.00 H new ATOM 0 HA GLU A 63 7.436 0.305 10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.726 1.543 13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.456 -0.046 13.211 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.391 0.903 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.653 2.492 12.013 1.00 0.00 H new ATOM 974 N MET A 64 5.863 -1.562 11.189 1.00 0.00 N ATOM 975 CA MET A 64 4.905 -2.677 11.176 1.00 0.00 C ATOM 976 C MET A 64 5.572 -4.022 11.508 1.00 0.00 C ATOM 977 O MET A 64 6.769 -4.212 11.286 1.00 0.00 O ATOM 978 CB MET A 64 4.192 -2.751 9.813 1.00 0.00 C ATOM 979 CG MET A 64 5.197 -2.851 8.662 1.00 0.00 C ATOM 980 SD MET A 64 4.555 -3.536 7.119 1.00 0.00 S ATOM 981 CE MET A 64 6.114 -4.295 6.615 1.00 0.00 C ATOM 0 H MET A 64 6.817 -1.860 10.986 1.00 0.00 H new ATOM 0 HA MET A 64 4.169 -2.483 11.956 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.528 -3.615 9.794 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.569 -1.867 9.678 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.590 -1.855 8.460 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.036 -3.465 8.989 1.00 0.00 H new ATOM 0 HE1 MET A 64 6.057 -4.580 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.927 -3.583 6.754 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.300 -5.181 7.222 1.00 0.00 H new ATOM 991 N LEU A 65 4.775 -4.966 12.015 1.00 0.00 N ATOM 992 CA LEU A 65 5.176 -6.324 12.381 1.00 0.00 C ATOM 993 C LEU A 65 4.660 -7.329 11.344 1.00 0.00 C ATOM 994 O LEU A 65 3.549 -7.198 10.827 1.00 0.00 O ATOM 995 CB LEU A 65 4.625 -6.639 13.791 1.00 0.00 C ATOM 996 CG LEU A 65 5.594 -7.329 14.768 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.081 -8.707 14.314 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.775 -6.409 15.084 1.00 0.00 C ATOM 0 H LEU A 65 3.785 -4.794 12.189 1.00 0.00 H new ATOM 0 HA LEU A 65 6.263 -6.402 12.397 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.292 -5.705 14.244 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.744 -7.272 13.680 1.00 0.00 H new ATOM 0 HG LEU A 65 5.018 -7.515 15.674 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.759 -9.118 15.062 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.227 -9.373 14.193 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.605 -8.613 13.363 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.452 -6.910 15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.308 -6.172 14.163 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.408 -5.489 15.538 1.00 0.00 H new ATOM 1010 N ILE A 66 5.468 -8.350 11.071 1.00 0.00 N ATOM 1011 CA ILE A 66 5.167 -9.439 10.115 1.00 0.00 C ATOM 1012 C ILE A 66 5.196 -10.827 10.790 1.00 0.00 C ATOM 1013 O ILE A 66 4.968 -10.940 11.994 1.00 0.00 O ATOM 1014 CB ILE A 66 6.045 -9.312 8.855 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.535 -9.584 9.161 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.811 -7.941 8.186 1.00 0.00 C ATOM 1017 CD1 ILE A 66 8.097 -10.748 8.335 1.00 0.00 C ATOM 0 H ILE A 66 6.380 -8.456 11.516 1.00 0.00 H new ATOM 0 HA ILE A 66 4.138 -9.334 9.770 1.00 0.00 H new ATOM 0 HB ILE A 66 5.748 -10.082 8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.115 -8.684 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.651 -9.805 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.435 -7.859 7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.762 -7.848 7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.070 -7.146 8.885 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.147 -10.899 8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.536 -11.656 8.557 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.008 -10.517 7.273 1.00 0.00 H new ATOM 1029 N ALA A 67 5.489 -11.892 10.036 1.00 0.00 N ATOM 1030 CA ALA A 67 5.588 -13.276 10.515 1.00 0.00 C ATOM 1031 C ALA A 67 6.625 -13.523 11.639 1.00 0.00 C ATOM 1032 O ALA A 67 6.551 -14.551 12.318 1.00 0.00 O ATOM 1033 CB ALA A 67 5.937 -14.136 9.293 1.00 0.00 C ATOM 0 H ALA A 67 5.671 -11.811 9.036 1.00 0.00 H new ATOM 0 HA ALA A 67 4.633 -13.533 10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.023 -15.180 9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.152 -14.039 8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.885 -13.801 8.871 1.00 0.00 H new ATOM 1039 N GLY A 68 7.576 -12.601 11.848 1.00 0.00 N ATOM 1040 CA GLY A 68 8.611 -12.710 12.887 1.00 0.00 C ATOM 1041 C GLY A 68 9.608 -11.547 12.980 1.00 0.00 C ATOM 1042 O GLY A 68 10.670 -11.721 13.578 1.00 0.00 O ATOM 0 H GLY A 68 7.649 -11.748 11.293 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.116 -12.814 13.853 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.172 -13.629 12.715 1.00 0.00 H new ATOM 1046 N PHE A 69 9.295 -10.383 12.395 1.00 0.00 N ATOM 1047 CA PHE A 69 10.223 -9.258 12.216 1.00 0.00 C ATOM 1048 C PHE A 69 9.504 -7.898 12.191 1.00 0.00 C ATOM 1049 O PHE A 69 8.356 -7.797 11.750 1.00 0.00 O ATOM 1050 CB PHE A 69 11.002 -9.435 10.897 1.00 0.00 C ATOM 1051 CG PHE A 69 11.919 -10.641 10.818 1.00 0.00 C ATOM 1052 CD1 PHE A 69 13.169 -10.607 11.465 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.545 -11.786 10.085 1.00 0.00 C ATOM 1054 CE1 PHE A 69 14.056 -11.694 11.351 1.00 0.00 C ATOM 1055 CE2 PHE A 69 12.431 -12.871 9.973 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.688 -12.824 10.600 1.00 0.00 C ATOM 0 H PHE A 69 8.364 -10.193 12.023 1.00 0.00 H new ATOM 0 HA PHE A 69 10.900 -9.262 13.071 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.283 -9.497 10.080 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.599 -8.539 10.729 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.448 -9.744 12.051 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.576 -11.829 9.609 1.00 0.00 H new ATOM 0 HE1 PHE A 69 15.018 -11.660 11.840 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.145 -13.743 9.404 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.371 -13.655 10.505 1.00 0.00 H new ATOM 1066 N LEU A 70 10.209 -6.848 12.628 1.00 0.00 N ATOM 1067 CA LEU A 70 9.802 -5.449 12.477 1.00 0.00 C ATOM 1068 C LEU A 70 10.390 -4.925 11.160 1.00 0.00 C ATOM 1069 O LEU A 70 11.603 -4.977 10.947 1.00 0.00 O ATOM 1070 CB LEU A 70 10.309 -4.647 13.695 1.00 0.00 C ATOM 1071 CG LEU A 70 9.730 -3.235 13.951 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.871 -2.253 12.781 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.264 -3.290 14.395 1.00 0.00 C ATOM 0 H LEU A 70 11.102 -6.952 13.109 1.00 0.00 H new ATOM 0 HA LEU A 70 8.718 -5.346 12.440 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.123 -5.247 14.586 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.390 -4.548 13.598 1.00 0.00 H new ATOM 0 HG LEU A 70 10.350 -2.845 14.758 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.436 -1.293 13.058 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.926 -2.118 12.544 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.351 -2.649 11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.897 -2.278 14.564 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.666 -3.768 13.619 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.185 -3.864 15.319 1.00 0.00 H new ATOM 1085 N TYR A 71 9.532 -4.389 10.300 1.00 0.00 N ATOM 1086 CA TYR A 71 9.908 -3.718 9.052 1.00 0.00 C ATOM 1087 C TYR A 71 9.448 -2.252 9.026 1.00 0.00 C ATOM 1088 O TYR A 71 8.327 -1.923 9.422 1.00 0.00 O ATOM 1089 CB TYR A 71 9.363 -4.489 7.845 1.00 0.00 C ATOM 1090 CG TYR A 71 9.936 -5.872 7.573 1.00 0.00 C ATOM 1091 CD1 TYR A 71 11.293 -6.174 7.806 1.00 0.00 C ATOM 1092 CD2 TYR A 71 9.089 -6.874 7.064 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.776 -7.476 7.586 1.00 0.00 C ATOM 1094 CE2 TYR A 71 9.557 -8.181 6.872 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.909 -8.491 7.141 1.00 0.00 C ATOM 1096 OH TYR A 71 11.406 -9.749 6.998 1.00 0.00 O ATOM 0 H TYR A 71 8.524 -4.408 10.453 1.00 0.00 H new ATOM 0 HA TYR A 71 10.997 -3.710 8.996 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.285 -4.591 7.971 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.524 -3.878 6.956 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.964 -5.403 8.155 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.065 -6.633 6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.819 -7.698 7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.886 -8.950 6.519 1.00 0.00 H new ATOM 0 HH TYR A 71 10.725 -10.325 6.592 1.00 0.00 H new ATOM 1106 N VAL A 72 10.333 -1.380 8.545 1.00 0.00 N ATOM 1107 CA VAL A 72 10.085 0.040 8.298 1.00 0.00 C ATOM 1108 C VAL A 72 9.552 0.187 6.871 1.00 0.00 C ATOM 1109 O VAL A 72 10.283 -0.034 5.903 1.00 0.00 O ATOM 1110 CB VAL A 72 11.356 0.898 8.488 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.057 2.400 8.325 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.003 0.667 9.861 1.00 0.00 C ATOM 0 H VAL A 72 11.285 -1.656 8.306 1.00 0.00 H new ATOM 0 HA VAL A 72 9.356 0.402 9.023 1.00 0.00 H new ATOM 0 HB VAL A 72 12.052 0.583 7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.975 2.971 8.466 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.663 2.586 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.321 2.707 9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.893 1.289 9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.294 0.929 10.646 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.282 -0.382 9.960 1.00 0.00 H new ATOM 1122 N ALA A 73 8.277 0.555 6.755 1.00 0.00 N ATOM 1123 CA ALA A 73 7.620 0.882 5.499 1.00 0.00 C ATOM 1124 C ALA A 73 7.974 2.307 5.069 1.00 0.00 C ATOM 1125 O ALA A 73 7.470 3.287 5.617 1.00 0.00 O ATOM 1126 CB ALA A 73 6.113 0.676 5.661 1.00 0.00 C ATOM 0 H ALA A 73 7.657 0.635 7.561 1.00 0.00 H new ATOM 0 HA ALA A 73 7.969 0.222 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.610 0.918 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.914 -0.364 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.740 1.326 6.452 1.00 0.00 H new ATOM 1132 N ASP A 74 8.853 2.407 4.079 1.00 0.00 N ATOM 1133 CA ASP A 74 9.285 3.647 3.449 1.00 0.00 C ATOM 1134 C ASP A 74 8.243 4.077 2.404 1.00 0.00 C ATOM 1135 O ASP A 74 8.089 3.421 1.368 1.00 0.00 O ATOM 1136 CB ASP A 74 10.676 3.400 2.845 1.00 0.00 C ATOM 1137 CG ASP A 74 11.366 4.680 2.374 1.00 0.00 C ATOM 1138 OD1 ASP A 74 10.783 5.388 1.522 1.00 0.00 O ATOM 1139 OD2 ASP A 74 12.503 4.947 2.825 1.00 0.00 O ATOM 0 H ASP A 74 9.305 1.586 3.675 1.00 0.00 H new ATOM 0 HA ASP A 74 9.362 4.466 4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.305 2.908 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.582 2.715 2.003 1.00 0.00 H new ATOM 1144 N LEU A 75 7.521 5.173 2.683 1.00 0.00 N ATOM 1145 CA LEU A 75 6.459 5.698 1.815 1.00 0.00 C ATOM 1146 C LEU A 75 7.014 6.542 0.647 1.00 0.00 C ATOM 1147 O LEU A 75 6.258 6.896 -0.258 1.00 0.00 O ATOM 1148 CB LEU A 75 5.438 6.522 2.639 1.00 0.00 C ATOM 1149 CG LEU A 75 4.743 5.832 3.837 1.00 0.00 C ATOM 1150 CD1 LEU A 75 3.792 6.829 4.511 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.919 4.614 3.436 1.00 0.00 C ATOM 0 H LEU A 75 7.661 5.726 3.529 1.00 0.00 H new ATOM 0 HA LEU A 75 5.953 4.837 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.950 7.407 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.661 6.869 1.957 1.00 0.00 H new ATOM 0 HG LEU A 75 5.538 5.500 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.300 6.348 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.359 7.691 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.041 7.158 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.459 4.178 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.141 4.916 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.567 3.876 2.963 1.00 0.00 H new ATOM 1163 N GLU A 76 8.313 6.859 0.646 1.00 0.00 N ATOM 1164 CA GLU A 76 8.970 7.671 -0.387 1.00 0.00 C ATOM 1165 C GLU A 76 9.441 6.803 -1.562 1.00 0.00 C ATOM 1166 O GLU A 76 9.158 7.084 -2.727 1.00 0.00 O ATOM 1167 CB GLU A 76 10.213 8.375 0.187 1.00 0.00 C ATOM 1168 CG GLU A 76 9.990 9.198 1.453 1.00 0.00 C ATOM 1169 CD GLU A 76 11.281 9.910 1.873 1.00 0.00 C ATOM 1170 OE1 GLU A 76 11.535 11.044 1.405 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.039 9.356 2.702 1.00 0.00 O ATOM 0 H GLU A 76 8.952 6.552 1.379 1.00 0.00 H new ATOM 0 HA GLU A 76 8.235 8.399 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.970 7.619 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.622 9.031 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.203 9.933 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.649 8.549 2.259 1.00 0.00 H new ATOM 1178 N ASN A 77 10.168 5.737 -1.228 1.00 0.00 N ATOM 1179 CA ASN A 77 10.830 4.808 -2.142 1.00 0.00 C ATOM 1180 C ASN A 77 9.980 3.546 -2.389 1.00 0.00 C ATOM 1181 O ASN A 77 10.308 2.734 -3.255 1.00 0.00 O ATOM 1182 CB ASN A 77 12.191 4.432 -1.530 1.00 0.00 C ATOM 1183 CG ASN A 77 13.130 5.623 -1.353 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.943 5.925 -2.218 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.067 6.318 -0.229 1.00 0.00 N ATOM 0 H ASN A 77 10.319 5.484 -0.252 1.00 0.00 H new ATOM 0 HA ASN A 77 10.965 5.288 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.027 3.962 -0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.674 3.690 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.696 7.107 -0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.389 6.065 0.490 1.00 0.00 H new ATOM 1192 N MET A 78 8.899 3.385 -1.610 1.00 0.00 N ATOM 1193 CA MET A 78 7.949 2.256 -1.634 1.00 0.00 C ATOM 1194 C MET A 78 8.637 0.912 -1.338 1.00 0.00 C ATOM 1195 O MET A 78 8.594 -0.014 -2.150 1.00 0.00 O ATOM 1196 CB MET A 78 7.152 2.212 -2.954 1.00 0.00 C ATOM 1197 CG MET A 78 6.382 3.498 -3.296 1.00 0.00 C ATOM 1198 SD MET A 78 4.600 3.448 -2.967 1.00 0.00 S ATOM 1199 CE MET A 78 4.617 3.582 -1.167 1.00 0.00 C ATOM 0 H MET A 78 8.648 4.078 -0.905 1.00 0.00 H new ATOM 0 HA MET A 78 7.234 2.426 -0.829 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.842 1.993 -3.769 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.443 1.385 -2.905 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.816 4.322 -2.730 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.533 3.722 -4.352 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.665 3.987 -0.823 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.770 2.595 -0.730 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.426 4.245 -0.859 1.00 0.00 H new ATOM 1209 N VAL A 79 9.269 0.787 -0.167 1.00 0.00 N ATOM 1210 CA VAL A 79 10.059 -0.405 0.222 1.00 0.00 C ATOM 1211 C VAL A 79 9.977 -0.742 1.717 1.00 0.00 C ATOM 1212 O VAL A 79 9.672 0.117 2.540 1.00 0.00 O ATOM 1213 CB VAL A 79 11.550 -0.302 -0.188 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.776 -0.370 -1.706 1.00 0.00 C ATOM 1215 CG2 VAL A 79 12.218 0.957 0.386 1.00 0.00 C ATOM 0 H VAL A 79 9.252 1.512 0.550 1.00 0.00 H new ATOM 0 HA VAL A 79 9.591 -1.217 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 79 12.023 -1.183 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.842 -0.292 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.398 -1.318 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.248 0.452 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.262 0.989 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.701 1.843 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.165 0.933 1.474 1.00 0.00 H new ATOM 1225 N GLN A 80 10.273 -2.000 2.051 1.00 0.00 N ATOM 1226 CA GLN A 80 10.322 -2.565 3.397 1.00 0.00 C ATOM 1227 C GLN A 80 11.743 -3.031 3.738 1.00 0.00 C ATOM 1228 O GLN A 80 12.381 -3.708 2.933 1.00 0.00 O ATOM 1229 CB GLN A 80 9.376 -3.777 3.441 1.00 0.00 C ATOM 1230 CG GLN A 80 7.916 -3.437 3.119 1.00 0.00 C ATOM 1231 CD GLN A 80 7.232 -2.589 4.181 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.843 -2.133 5.134 1.00 0.00 O ATOM 1233 NE2 GLN A 80 5.937 -2.378 4.088 1.00 0.00 N ATOM 0 H GLN A 80 10.499 -2.695 1.340 1.00 0.00 H new ATOM 0 HA GLN A 80 10.023 -1.806 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.729 -4.527 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.424 -4.227 4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.878 -2.909 2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.357 -4.364 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.415 -2.754 3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.455 -1.839 4.807 1.00 0.00 H new ATOM 1242 N TYR A 81 12.221 -2.702 4.942 1.00 0.00 N ATOM 1243 CA TYR A 81 13.526 -3.115 5.492 1.00 0.00 C ATOM 1244 C TYR A 81 13.523 -3.130 7.033 1.00 0.00 C ATOM 1245 O TYR A 81 12.718 -2.431 7.654 1.00 0.00 O ATOM 1246 CB TYR A 81 14.639 -2.201 4.938 1.00 0.00 C ATOM 1247 CG TYR A 81 14.379 -0.701 5.005 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.421 -0.012 6.235 1.00 0.00 C ATOM 1249 CD2 TYR A 81 14.113 0.018 3.821 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.207 1.378 6.283 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.901 1.410 3.860 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.939 2.096 5.097 1.00 0.00 C ATOM 1253 OH TYR A 81 13.719 3.438 5.155 1.00 0.00 O ATOM 0 H TYR A 81 11.692 -2.118 5.590 1.00 0.00 H new ATOM 0 HA TYR A 81 13.722 -4.139 5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.559 -2.413 5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.816 -2.471 3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.619 -0.555 7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 81 14.072 -0.503 2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.248 1.897 7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.710 1.953 2.946 1.00 0.00 H new ATOM 0 HH TYR A 81 13.334 3.743 4.307 1.00 0.00 H new ATOM 1263 N ARG A 82 14.415 -3.897 7.676 1.00 0.00 N ATOM 1264 CA ARG A 82 14.589 -3.866 9.144 1.00 0.00 C ATOM 1265 C ARG A 82 15.277 -2.566 9.583 1.00 0.00 C ATOM 1266 O ARG A 82 16.072 -2.001 8.834 1.00 0.00 O ATOM 1267 CB ARG A 82 15.385 -5.084 9.655 1.00 0.00 C ATOM 1268 CG ARG A 82 14.723 -6.419 9.295 1.00 0.00 C ATOM 1269 CD ARG A 82 15.570 -7.606 9.765 1.00 0.00 C ATOM 1270 NE ARG A 82 14.967 -8.885 9.356 1.00 0.00 N ATOM 1271 CZ ARG A 82 15.068 -9.458 8.162 1.00 0.00 C ATOM 1272 NH1 ARG A 82 15.746 -8.943 7.162 1.00 0.00 N ATOM 1273 NH2 ARG A 82 14.472 -10.601 7.925 1.00 0.00 N ATOM 0 H ARG A 82 15.035 -4.554 7.201 1.00 0.00 H new ATOM 0 HA ARG A 82 13.593 -3.909 9.586 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.391 -5.057 9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.490 -5.016 10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.735 -6.472 9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.579 -6.477 8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.575 -7.526 9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.669 -7.578 10.850 1.00 0.00 H new ATOM 0 HE ARG A 82 14.418 -9.380 10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.232 -8.054 7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.786 -9.432 6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.928 -11.054 8.659 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.552 -11.037 7.007 1.00 0.00 H new ATOM 1287 N ARG A 83 15.023 -2.114 10.818 1.00 0.00 N ATOM 1288 CA ARG A 83 15.479 -0.809 11.345 1.00 0.00 C ATOM 1289 C ARG A 83 17.008 -0.589 11.300 1.00 0.00 C ATOM 1290 O ARG A 83 17.465 0.554 11.314 1.00 0.00 O ATOM 1291 CB ARG A 83 14.971 -0.608 12.787 1.00 0.00 C ATOM 1292 CG ARG A 83 13.455 -0.816 12.932 1.00 0.00 C ATOM 1293 CD ARG A 83 12.935 -0.506 14.340 1.00 0.00 C ATOM 1294 NE ARG A 83 12.702 0.933 14.536 1.00 0.00 N ATOM 1295 CZ ARG A 83 13.425 1.822 15.197 1.00 0.00 C ATOM 1296 NH1 ARG A 83 14.567 1.533 15.787 1.00 0.00 N ATOM 1297 NH2 ARG A 83 12.953 3.045 15.258 1.00 0.00 N ATOM 0 H ARG A 83 14.484 -2.652 11.497 1.00 0.00 H new ATOM 0 HA ARG A 83 15.050 -0.065 10.674 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.491 -1.302 13.448 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.226 0.399 13.118 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.937 -0.181 12.213 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.211 -1.848 12.681 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.006 -1.050 14.512 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.654 -0.861 15.078 1.00 0.00 H new ATOM 0 HE ARG A 83 11.858 1.300 14.097 1.00 0.00 H new ATOM 0 HH11 ARG A 83 14.935 0.583 15.747 1.00 0.00 H new ATOM 0 HH12 ARG A 83 15.083 2.260 16.283 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.067 3.273 14.808 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.472 3.768 15.756 1.00 0.00 H new ATOM 1311 N ASN A 84 17.795 -1.670 11.234 1.00 0.00 N ATOM 1312 CA ASN A 84 19.263 -1.659 11.226 1.00 0.00 C ATOM 1313 C ASN A 84 19.907 -1.773 9.819 1.00 0.00 C ATOM 1314 O ASN A 84 21.135 -1.723 9.714 1.00 0.00 O ATOM 1315 CB ASN A 84 19.738 -2.773 12.177 1.00 0.00 C ATOM 1316 CG ASN A 84 21.203 -2.614 12.576 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.600 -1.627 13.185 1.00 0.00 O ATOM 1318 ND2 ASN A 84 22.047 -3.579 12.256 1.00 0.00 N ATOM 0 H ASN A 84 17.411 -2.614 11.183 1.00 0.00 H new ATOM 0 HA ASN A 84 19.599 -0.681 11.571 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.118 -2.770 13.073 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.599 -3.741 11.696 1.00 0.00 H new ATOM 0 HD21 ASN A 84 23.030 -3.503 12.516 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.715 -4.400 11.749 1.00 0.00 H new ATOM 1325 N GLU A 85 19.127 -1.954 8.744 1.00 0.00 N ATOM 1326 CA GLU A 85 19.640 -2.235 7.388 1.00 0.00 C ATOM 1327 C GLU A 85 18.913 -1.449 6.281 1.00 0.00 C ATOM 1328 O GLU A 85 17.813 -0.934 6.479 1.00 0.00 O ATOM 1329 CB GLU A 85 19.620 -3.754 7.117 1.00 0.00 C ATOM 1330 CG GLU A 85 18.217 -4.330 6.848 1.00 0.00 C ATOM 1331 CD GLU A 85 18.190 -5.866 6.792 1.00 0.00 C ATOM 1332 OE1 GLU A 85 19.240 -6.495 6.522 1.00 0.00 O ATOM 1333 OE2 GLU A 85 17.099 -6.448 6.991 1.00 0.00 O ATOM 0 H GLU A 85 18.109 -1.910 8.788 1.00 0.00 H new ATOM 0 HA GLU A 85 20.671 -1.883 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 85 20.258 -3.967 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 85 20.054 -4.270 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.537 -3.990 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 85 17.844 -3.932 5.904 1.00 0.00 H new ATOM 1340 N HIS A 86 19.525 -1.385 5.094 1.00 0.00 N ATOM 1341 CA HIS A 86 18.930 -0.790 3.883 1.00 0.00 C ATOM 1342 C HIS A 86 19.187 -1.580 2.582 1.00 0.00 C ATOM 1343 O HIS A 86 18.404 -1.482 1.637 1.00 0.00 O ATOM 1344 CB HIS A 86 19.416 0.663 3.750 1.00 0.00 C ATOM 1345 CG HIS A 86 20.868 0.790 3.368 1.00 0.00 C ATOM 1346 ND1 HIS A 86 21.357 0.796 2.058 1.00 0.00 N ATOM 1347 CD2 HIS A 86 21.917 0.866 4.235 1.00 0.00 C ATOM 1348 CE1 HIS A 86 22.693 0.885 2.174 1.00 0.00 C ATOM 1349 NE2 HIS A 86 23.059 0.930 3.467 1.00 0.00 N ATOM 0 H HIS A 86 20.465 -1.751 4.941 1.00 0.00 H new ATOM 0 HA HIS A 86 17.849 -0.826 4.015 1.00 0.00 H new ATOM 0 HB2 HIS A 86 18.808 1.172 3.002 1.00 0.00 H new ATOM 0 HB3 HIS A 86 19.253 1.178 4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 86 21.863 0.874 5.314 1.00 0.00 H new ATOM 0 HE1 HIS A 86 23.380 0.916 1.341 1.00 0.00 H new ATOM 0 HE2 HIS A 86 24.014 0.999 3.818 1.00 0.00 H new ATOM 1357 N GLY A 87 20.250 -2.393 2.527 1.00 0.00 N ATOM 1358 CA GLY A 87 20.668 -3.139 1.323 1.00 0.00 C ATOM 1359 C GLY A 87 19.808 -4.367 0.999 1.00 0.00 C ATOM 1360 O GLY A 87 19.852 -4.860 -0.126 1.00 0.00 O ATOM 0 H GLY A 87 20.857 -2.557 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.648 -2.463 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.702 -3.460 1.452 1.00 0.00 H new ATOM 1364 N ARG A 88 19.003 -4.837 1.963 1.00 0.00 N ATOM 1365 CA ARG A 88 18.062 -5.966 1.825 1.00 0.00 C ATOM 1366 C ARG A 88 16.627 -5.508 1.473 1.00 0.00 C ATOM 1367 O ARG A 88 15.702 -6.324 1.474 1.00 0.00 O ATOM 1368 CB ARG A 88 18.081 -6.817 3.115 1.00 0.00 C ATOM 1369 CG ARG A 88 19.295 -7.749 3.278 1.00 0.00 C ATOM 1370 CD ARG A 88 20.638 -7.042 3.516 1.00 0.00 C ATOM 1371 NE ARG A 88 21.711 -8.008 3.806 1.00 0.00 N ATOM 1372 CZ ARG A 88 22.012 -8.539 4.987 1.00 0.00 C ATOM 1373 NH1 ARG A 88 21.351 -8.247 6.089 1.00 0.00 N ATOM 1374 NH2 ARG A 88 23.009 -9.393 5.077 1.00 0.00 N ATOM 0 H ARG A 88 18.986 -4.428 2.897 1.00 0.00 H new ATOM 0 HA ARG A 88 18.395 -6.577 0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 88 18.043 -6.145 3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.175 -7.422 3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.105 -8.423 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.381 -8.366 2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 88 20.903 -6.455 2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 88 20.541 -6.344 4.347 1.00 0.00 H new ATOM 0 HE ARG A 88 22.285 -8.301 3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 88 20.573 -7.589 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 88 21.618 -8.679 6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 88 23.544 -9.642 4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 88 23.247 -9.806 5.979 1.00 0.00 H new ATOM 1388 N ARG A 89 16.416 -4.211 1.200 1.00 0.00 N ATOM 1389 CA ARG A 89 15.090 -3.602 1.005 1.00 0.00 C ATOM 1390 C ARG A 89 14.260 -4.271 -0.108 1.00 0.00 C ATOM 1391 O ARG A 89 14.794 -4.612 -1.169 1.00 0.00 O ATOM 1392 CB ARG A 89 15.218 -2.078 0.821 1.00 0.00 C ATOM 1393 CG ARG A 89 15.945 -1.637 -0.460 1.00 0.00 C ATOM 1394 CD ARG A 89 16.203 -0.126 -0.468 1.00 0.00 C ATOM 1395 NE ARG A 89 16.995 0.287 -1.643 1.00 0.00 N ATOM 1396 CZ ARG A 89 18.319 0.380 -1.721 1.00 0.00 C ATOM 1397 NH1 ARG A 89 19.107 0.019 -0.730 1.00 0.00 N ATOM 1398 NH2 ARG A 89 18.875 0.846 -2.817 1.00 0.00 N ATOM 0 H ARG A 89 17.179 -3.541 1.106 1.00 0.00 H new ATOM 0 HA ARG A 89 14.518 -3.784 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.219 -1.642 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.747 -1.666 1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.893 -2.169 -0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.348 -1.910 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 89 15.251 0.406 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.729 0.158 0.443 1.00 0.00 H new ATOM 0 HE ARG A 89 16.471 0.527 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.706 -0.346 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.119 0.105 -0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.291 1.134 -3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.890 0.920 -2.882 1.00 0.00 H new ATOM 1412 N ARG A 90 12.957 -4.452 0.141 1.00 0.00 N ATOM 1413 CA ARG A 90 12.021 -5.231 -0.694 1.00 0.00 C ATOM 1414 C ARG A 90 10.789 -4.402 -1.083 1.00 0.00 C ATOM 1415 O ARG A 90 10.248 -3.669 -0.256 1.00 0.00 O ATOM 1416 CB ARG A 90 11.639 -6.506 0.077 1.00 0.00 C ATOM 1417 CG ARG A 90 10.903 -7.530 -0.799 1.00 0.00 C ATOM 1418 CD ARG A 90 10.648 -8.818 -0.010 1.00 0.00 C ATOM 1419 NE ARG A 90 10.020 -9.842 -0.860 1.00 0.00 N ATOM 1420 CZ ARG A 90 10.419 -11.093 -1.053 1.00 0.00 C ATOM 1421 NH1 ARG A 90 11.496 -11.596 -0.502 1.00 0.00 N ATOM 1422 NH2 ARG A 90 9.702 -11.862 -1.838 1.00 0.00 N ATOM 0 H ARG A 90 12.504 -4.046 0.960 1.00 0.00 H new ATOM 0 HA ARG A 90 12.502 -5.506 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.541 -6.964 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.007 -6.238 0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.957 -7.112 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.495 -7.751 -1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.589 -9.198 0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.005 -8.604 0.844 1.00 0.00 H new ATOM 0 HE ARG A 90 9.178 -9.556 -1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.073 -11.019 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.757 -12.565 -0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.861 -11.494 -2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.986 -12.828 -2.004 1.00 0.00 H new ATOM 1436 N LYS A 91 10.357 -4.492 -2.342 1.00 0.00 N ATOM 1437 CA LYS A 91 9.338 -3.614 -2.944 1.00 0.00 C ATOM 1438 C LYS A 91 7.898 -3.830 -2.439 1.00 0.00 C ATOM 1439 O LYS A 91 7.429 -4.958 -2.252 1.00 0.00 O ATOM 1440 CB LYS A 91 9.397 -3.759 -4.482 1.00 0.00 C ATOM 1441 CG LYS A 91 10.225 -2.665 -5.183 1.00 0.00 C ATOM 1442 CD LYS A 91 9.488 -1.316 -5.272 1.00 0.00 C ATOM 1443 CE LYS A 91 8.324 -1.349 -6.277 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.350 -0.251 -6.035 1.00 0.00 N ATOM 0 H LYS A 91 10.712 -5.193 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 91 9.588 -2.601 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.818 -4.733 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.381 -3.741 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.162 -2.526 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.482 -2.999 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.106 -1.048 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.194 -0.538 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.717 -1.269 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.813 -2.309 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.753 -0.125 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.752 -0.491 -5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.864 0.632 -5.839 1.00 0.00 H new ATOM 1458 N ILE A 92 7.171 -2.715 -2.324 1.00 0.00 N ATOM 1459 CA ILE A 92 5.728 -2.620 -2.033 1.00 0.00 C ATOM 1460 C ILE A 92 5.046 -1.639 -2.998 1.00 0.00 C ATOM 1461 O ILE A 92 5.713 -0.954 -3.779 1.00 0.00 O ATOM 1462 CB ILE A 92 5.475 -2.234 -0.551 1.00 0.00 C ATOM 1463 CG1 ILE A 92 6.222 -0.943 -0.183 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.855 -3.395 0.371 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.967 -0.376 1.213 1.00 0.00 C ATOM 0 H ILE A 92 7.596 -1.795 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 92 5.284 -3.604 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 92 4.411 -2.036 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 92 7.291 -1.128 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.960 -0.178 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.673 -3.111 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.253 -4.269 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.911 -3.633 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.552 0.534 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.907 -0.146 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.260 -1.111 1.963 1.00 0.00 H new ATOM 1477 N LYS A 93 3.717 -1.569 -2.936 1.00 0.00 N ATOM 1478 CA LYS A 93 2.879 -0.623 -3.683 1.00 0.00 C ATOM 1479 C LYS A 93 1.526 -0.368 -2.990 1.00 0.00 C ATOM 1480 O LYS A 93 1.095 -1.145 -2.133 1.00 0.00 O ATOM 1481 CB LYS A 93 2.674 -1.122 -5.135 1.00 0.00 C ATOM 1482 CG LYS A 93 1.786 -2.378 -5.226 1.00 0.00 C ATOM 1483 CD LYS A 93 1.412 -2.730 -6.670 1.00 0.00 C ATOM 1484 CE LYS A 93 0.547 -4.000 -6.678 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.205 -4.152 -7.948 1.00 0.00 N ATOM 0 H LYS A 93 3.170 -2.192 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 93 3.403 0.332 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.225 -0.324 -5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.646 -1.339 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.308 -3.221 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.876 -2.218 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.869 -1.904 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.313 -2.887 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.182 -4.872 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.153 -3.967 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.452 -5.153 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.075 -3.583 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.384 -3.827 -8.741 1.00 0.00 H new ATOM 1499 N ARG A 94 0.838 0.690 -3.428 1.00 0.00 N ATOM 1500 CA ARG A 94 -0.569 0.973 -3.119 1.00 0.00 C ATOM 1501 C ARG A 94 -1.428 0.587 -4.333 1.00 0.00 C ATOM 1502 O ARG A 94 -0.995 0.735 -5.478 1.00 0.00 O ATOM 1503 CB ARG A 94 -0.756 2.460 -2.779 1.00 0.00 C ATOM 1504 CG ARG A 94 -0.126 2.824 -1.424 1.00 0.00 C ATOM 1505 CD ARG A 94 -0.314 4.303 -1.058 1.00 0.00 C ATOM 1506 NE ARG A 94 0.449 5.191 -1.955 1.00 0.00 N ATOM 1507 CZ ARG A 94 -0.029 5.927 -2.954 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -1.304 6.001 -3.259 1.00 0.00 N ATOM 1509 NH2 ARG A 94 0.778 6.626 -3.715 1.00 0.00 N ATOM 0 H ARG A 94 1.259 1.399 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.878 0.390 -2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.308 3.070 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.820 2.697 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.568 2.203 -0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.939 2.594 -1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.373 4.558 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.004 4.466 -0.028 1.00 0.00 H new ATOM 0 HE ARG A 94 1.454 5.247 -1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.989 5.475 -2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.609 6.584 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.783 6.609 -3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.400 7.187 -4.479 1.00 0.00 H new ATOM 1523 N ASP A 95 -2.643 0.108 -4.092 1.00 0.00 N ATOM 1524 CA ASP A 95 -3.616 -0.288 -5.116 1.00 0.00 C ATOM 1525 C ASP A 95 -5.059 -0.021 -4.659 1.00 0.00 C ATOM 1526 O ASP A 95 -5.297 0.463 -3.552 1.00 0.00 O ATOM 1527 CB ASP A 95 -3.429 -1.770 -5.499 1.00 0.00 C ATOM 1528 CG ASP A 95 -3.472 -1.977 -7.020 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -4.497 -1.599 -7.636 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -2.488 -2.511 -7.584 1.00 0.00 O ATOM 0 H ASP A 95 -2.995 -0.022 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 95 -3.433 0.324 -5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.476 -2.128 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.210 -2.368 -5.029 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.028 -0.339 -5.520 1.00 0.00 N ATOM 1536 CA ILE A 96 -7.448 0.004 -5.366 1.00 0.00 C ATOM 1537 C ILE A 96 -8.325 -1.215 -5.660 1.00 0.00 C ATOM 1538 O ILE A 96 -8.110 -1.948 -6.628 1.00 0.00 O ATOM 1539 CB ILE A 96 -7.812 1.173 -6.310 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -6.909 2.409 -6.120 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -9.289 1.587 -6.135 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -7.085 3.085 -4.761 1.00 0.00 C ATOM 0 H ILE A 96 -5.841 -0.862 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.627 0.315 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.650 0.799 -7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.867 2.110 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.124 3.131 -6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.518 2.411 -6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.934 0.739 -6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.459 1.904 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.420 3.946 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.118 3.414 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.842 2.377 -3.968 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.341 -1.406 -4.821 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.381 -2.437 -4.998 1.00 0.00 C ATOM 1556 C ILE A 97 -11.557 -1.892 -5.828 1.00 0.00 C ATOM 1557 O ILE A 97 -11.965 -0.744 -5.662 1.00 0.00 O ATOM 1558 CB ILE A 97 -10.874 -2.970 -3.639 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -9.752 -3.551 -2.756 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -11.960 -4.034 -3.845 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.111 -2.486 -1.859 1.00 0.00 C ATOM 0 H ILE A 97 -9.474 -0.842 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.935 -3.269 -5.543 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.279 -2.107 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.157 -4.350 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.987 -3.997 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.298 -4.401 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.802 -3.596 -4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.553 -4.862 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.326 -2.943 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -8.681 -1.699 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -9.870 -2.058 -1.204 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.140 -2.744 -6.678 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.284 -2.408 -7.541 1.00 0.00 C ATOM 1575 C ASP A 98 -14.665 -2.815 -6.978 1.00 0.00 C ATOM 1576 O ASP A 98 -15.654 -2.141 -7.261 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.030 -3.041 -8.919 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.092 -2.674 -9.970 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -14.085 -1.517 -10.453 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -14.890 -3.563 -10.355 1.00 0.00 O ATOM 0 H ASP A 98 -11.825 -3.708 -6.790 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.343 -1.322 -7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.050 -2.726 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.997 -4.125 -8.811 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.709 -3.877 -6.154 1.00 0.00 N ATOM 1586 CA ILE A 99 -15.876 -4.467 -5.448 1.00 0.00 C ATOM 1587 C ILE A 99 -16.805 -5.262 -6.410 1.00 0.00 C ATOM 1588 O ILE A 99 -17.235 -4.720 -7.434 1.00 0.00 O ATOM 1589 CB ILE A 99 -16.671 -3.421 -4.614 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -15.789 -2.594 -3.646 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -17.828 -4.064 -3.827 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.201 -3.379 -2.463 1.00 0.00 C ATOM 0 H ILE A 99 -13.856 -4.395 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.463 -5.181 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.078 -2.734 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.969 -2.155 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.383 -1.769 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.354 -3.296 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.520 -4.540 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.430 -4.812 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -14.600 -2.711 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.011 -3.796 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.574 -4.188 -2.839 1.00 0.00 H new ATOM 1604 N PRO A 100 -17.141 -6.536 -6.100 1.00 0.00 N ATOM 1605 CA PRO A 100 -17.997 -7.383 -6.930 1.00 0.00 C ATOM 1606 C PRO A 100 -19.482 -7.053 -6.750 1.00 0.00 C ATOM 1607 O PRO A 100 -19.884 -6.373 -5.806 1.00 0.00 O ATOM 1608 CB PRO A 100 -17.694 -8.815 -6.479 1.00 0.00 C ATOM 1609 CG PRO A 100 -17.389 -8.646 -4.992 1.00 0.00 C ATOM 1610 CD PRO A 100 -16.682 -7.291 -4.942 1.00 0.00 C ATOM 0 HA PRO A 100 -17.795 -7.231 -7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -18.542 -9.479 -6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.848 -9.238 -7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.298 -8.650 -4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -16.753 -9.448 -4.616 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.920 -6.764 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.600 -7.418 -4.967 1.00 0.00 H new ATOM 1618 N LYS A 101 -20.322 -7.607 -7.629 1.00 0.00 N ATOM 1619 CA LYS A 101 -21.784 -7.446 -7.570 1.00 0.00 C ATOM 1620 C LYS A 101 -22.401 -7.915 -6.236 1.00 0.00 C ATOM 1621 O LYS A 101 -23.342 -7.296 -5.734 1.00 0.00 O ATOM 1622 CB LYS A 101 -22.429 -8.122 -8.798 1.00 0.00 C ATOM 1623 CG LYS A 101 -22.254 -9.649 -8.857 1.00 0.00 C ATOM 1624 CD LYS A 101 -22.879 -10.224 -10.134 1.00 0.00 C ATOM 1625 CE LYS A 101 -22.695 -11.747 -10.174 1.00 0.00 C ATOM 1626 NZ LYS A 101 -23.285 -12.341 -11.400 1.00 0.00 N ATOM 0 H LYS A 101 -20.008 -8.185 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 101 -22.004 -6.379 -7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -23.494 -7.892 -8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -22.003 -7.686 -9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.194 -9.899 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.718 -10.106 -7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.940 -9.977 -10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.415 -9.771 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -21.633 -11.986 -10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -23.159 -12.193 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -23.141 -13.371 -11.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.304 -12.134 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -22.824 -11.934 -12.239 1.00 0.00 H new ATOM 1640 N LYS A 102 -21.803 -8.927 -5.594 1.00 0.00 N ATOM 1641 CA LYS A 102 -22.182 -9.431 -4.262 1.00 0.00 C ATOM 1642 C LYS A 102 -21.859 -8.438 -3.120 1.00 0.00 C ATOM 1643 O LYS A 102 -22.524 -8.452 -2.083 1.00 0.00 O ATOM 1644 CB LYS A 102 -21.490 -10.796 -4.075 1.00 0.00 C ATOM 1645 CG LYS A 102 -21.965 -11.547 -2.817 1.00 0.00 C ATOM 1646 CD LYS A 102 -21.417 -12.980 -2.733 1.00 0.00 C ATOM 1647 CE LYS A 102 -19.888 -13.010 -2.587 1.00 0.00 C ATOM 1648 NZ LYS A 102 -19.378 -14.399 -2.433 1.00 0.00 N ATOM 0 H LYS A 102 -21.017 -9.436 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 102 -23.264 -9.547 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -21.677 -11.415 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -20.412 -10.645 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.656 -10.993 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -23.054 -11.579 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.871 -13.491 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.705 -13.530 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.430 -12.549 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.593 -12.416 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.343 -14.380 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -19.796 -14.830 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.638 -14.959 -3.270 1.00 0.00 H new ATOM 1662 N GLY A 103 -20.877 -7.548 -3.327 1.00 0.00 N ATOM 1663 CA GLY A 103 -20.519 -6.446 -2.419 1.00 0.00 C ATOM 1664 C GLY A 103 -21.296 -5.157 -2.708 1.00 0.00 C ATOM 1665 O GLY A 103 -21.684 -4.459 -1.772 1.00 0.00 O ATOM 0 H GLY A 103 -20.289 -7.576 -4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -20.707 -6.754 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -19.451 -6.246 -2.502 1.00 0.00 H new ATOM 1669 N VAL A 104 -21.556 -4.855 -3.986 1.00 0.00 N ATOM 1670 CA VAL A 104 -22.384 -3.708 -4.417 1.00 0.00 C ATOM 1671 C VAL A 104 -23.857 -3.885 -4.005 1.00 0.00 C ATOM 1672 O VAL A 104 -24.498 -2.921 -3.585 1.00 0.00 O ATOM 1673 CB VAL A 104 -22.266 -3.464 -5.946 1.00 0.00 C ATOM 1674 CG1 VAL A 104 -23.244 -2.400 -6.476 1.00 0.00 C ATOM 1675 CG2 VAL A 104 -20.840 -3.018 -6.321 1.00 0.00 C ATOM 0 H VAL A 104 -21.195 -5.405 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.998 -2.826 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 104 -22.515 -4.420 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -23.106 -2.282 -7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -24.268 -2.714 -6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.052 -1.449 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -20.781 -2.853 -7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.599 -2.092 -5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.129 -3.793 -6.033 1.00 0.00 H new ATOM 1685 N SER A 105 -24.395 -5.107 -4.071 1.00 0.00 N ATOM 1686 CA SER A 105 -25.769 -5.417 -3.633 1.00 0.00 C ATOM 1687 C SER A 105 -25.865 -5.540 -2.102 1.00 0.00 C ATOM 1688 O SER A 105 -25.155 -6.345 -1.488 1.00 0.00 O ATOM 1689 CB SER A 105 -26.263 -6.721 -4.284 1.00 0.00 C ATOM 1690 OG SER A 105 -26.244 -6.649 -5.705 1.00 0.00 O ATOM 0 H SER A 105 -23.890 -5.917 -4.431 1.00 0.00 H new ATOM 0 HA SER A 105 -26.402 -4.589 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 105 -25.637 -7.550 -3.955 1.00 0.00 H new ATOM 0 HB3 SER A 105 -27.277 -6.933 -3.945 1.00 0.00 H new ATOM 0 HG SER A 105 -25.341 -6.848 -6.031 1.00 0.00 H new ATOM 1696 N GLY A 106 -26.761 -4.771 -1.469 1.00 0.00 N ATOM 1697 CA GLY A 106 -27.000 -4.821 -0.019 1.00 0.00 C ATOM 1698 C GLY A 106 -27.888 -6.012 0.392 1.00 0.00 C ATOM 1699 O GLY A 106 -28.756 -6.413 -0.394 1.00 0.00 O ATOM 0 H GLY A 106 -27.346 -4.090 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -26.045 -4.888 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -27.473 -3.892 0.300 1.00 0.00 H new ATOM 1703 N PRO A 107 -27.720 -6.566 1.612 1.00 0.00 N ATOM 1704 CA PRO A 107 -28.516 -7.696 2.104 1.00 0.00 C ATOM 1705 C PRO A 107 -29.923 -7.284 2.571 1.00 0.00 C ATOM 1706 O PRO A 107 -30.808 -8.132 2.673 1.00 0.00 O ATOM 1707 CB PRO A 107 -27.694 -8.275 3.261 1.00 0.00 C ATOM 1708 CG PRO A 107 -26.990 -7.046 3.834 1.00 0.00 C ATOM 1709 CD PRO A 107 -26.699 -6.206 2.590 1.00 0.00 C ATOM 0 HA PRO A 107 -28.696 -8.421 1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -28.328 -8.759 4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -26.981 -9.023 2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -27.623 -6.512 4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -26.075 -7.315 4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -26.738 -5.141 2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -25.700 -6.412 2.205 1.00 0.00 H new ATOM 1717 N SER A 108 -30.149 -5.995 2.837 1.00 0.00 N ATOM 1718 CA SER A 108 -31.399 -5.441 3.393 1.00 0.00 C ATOM 1719 C SER A 108 -31.622 -3.971 2.965 1.00 0.00 C ATOM 1720 O SER A 108 -32.364 -3.216 3.599 1.00 0.00 O ATOM 1721 CB SER A 108 -31.387 -5.605 4.926 1.00 0.00 C ATOM 1722 OG SER A 108 -30.260 -4.972 5.531 1.00 0.00 O ATOM 0 H SER A 108 -29.444 -5.277 2.667 1.00 0.00 H new ATOM 0 HA SER A 108 -32.244 -5.998 2.988 1.00 0.00 H new ATOM 0 HB2 SER A 108 -32.303 -5.184 5.341 1.00 0.00 H new ATOM 0 HB3 SER A 108 -31.382 -6.666 5.175 1.00 0.00 H new ATOM 0 HG SER A 108 -30.295 -5.100 6.502 1.00 0.00 H new ATOM 1728 N SER A 109 -30.973 -3.544 1.876 1.00 0.00 N ATOM 1729 CA SER A 109 -30.872 -2.146 1.431 1.00 0.00 C ATOM 1730 C SER A 109 -30.481 -2.035 -0.059 1.00 0.00 C ATOM 1731 O SER A 109 -29.981 -2.994 -0.662 1.00 0.00 O ATOM 1732 CB SER A 109 -29.854 -1.395 2.312 1.00 0.00 C ATOM 1733 OG SER A 109 -28.562 -1.999 2.276 1.00 0.00 O ATOM 0 H SER A 109 -30.483 -4.187 1.254 1.00 0.00 H new ATOM 0 HA SER A 109 -31.856 -1.690 1.537 1.00 0.00 H new ATOM 0 HB2 SER A 109 -29.779 -0.361 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 109 -30.214 -1.371 3.341 1.00 0.00 H new ATOM 0 HG SER A 109 -27.947 -1.491 2.846 1.00 0.00 H new ATOM 1739 N GLY A 110 -30.719 -0.862 -0.663 1.00 0.00 N ATOM 1740 CA GLY A 110 -30.408 -0.559 -2.069 1.00 0.00 C ATOM 1741 C GLY A 110 -30.909 0.818 -2.507 1.00 0.00 C ATOM 1742 O GLY A 110 -30.473 1.828 -1.910 1.00 0.00 O ATOM 1743 OXT GLY A 110 -31.739 0.877 -3.442 1.00 0.00 O ATOM 0 H GLY A 110 -31.145 -0.075 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -29.329 -0.611 -2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -30.854 -1.322 -2.707 1.00 0.00 H new TER 1747 GLY A 110 HETATM 1748 PG ATP A 201 13.194 -14.443 0.843 1.00 0.00 P HETATM 1749 O1G ATP A 201 14.518 -15.097 0.766 1.00 0.00 O HETATM 1750 O2G ATP A 201 12.230 -15.162 1.702 1.00 0.00 O HETATM 1751 O3G ATP A 201 12.619 -14.100 -0.475 1.00 0.00 O HETATM 1752 PB ATP A 201 14.302 -11.834 1.707 1.00 0.00 P HETATM 1753 O1B ATP A 201 13.627 -10.725 0.978 1.00 0.00 O HETATM 1754 O2B ATP A 201 15.719 -12.122 1.341 1.00 0.00 O HETATM 1755 O3B ATP A 201 13.389 -13.092 1.569 1.00 0.00 O HETATM 1756 PA ATP A 201 14.692 -12.035 4.536 1.00 0.00 P HETATM 1757 O1A ATP A 201 15.410 -10.990 5.305 1.00 0.00 O HETATM 1758 O2A ATP A 201 15.355 -13.349 4.342 1.00 0.00 O HETATM 1759 O3A ATP A 201 14.232 -11.413 3.198 1.00 0.00 O HETATM 1760 O5' ATP A 201 13.319 -12.298 5.333 1.00 0.00 O HETATM 1761 C5' ATP A 201 12.269 -13.026 4.711 1.00 0.00 C HETATM 1762 C4' ATP A 201 11.094 -13.335 5.657 1.00 0.00 C HETATM 1763 O4' ATP A 201 10.350 -12.157 5.970 1.00 0.00 O HETATM 1764 C3' ATP A 201 10.106 -14.280 4.958 1.00 0.00 C HETATM 1765 O3' ATP A 201 9.353 -15.014 5.924 1.00 0.00 O HETATM 1766 C2' ATP A 201 9.239 -13.276 4.185 1.00 0.00 C HETATM 1767 O2' ATP A 201 7.953 -13.784 3.836 1.00 0.00 O HETATM 1768 C1' ATP A 201 9.162 -12.121 5.188 1.00 0.00 C HETATM 1769 N9 ATP A 201 8.992 -10.804 4.533 1.00 0.00 N HETATM 1770 C8 ATP A 201 9.944 -9.980 3.976 1.00 0.00 C HETATM 1771 N7 ATP A 201 9.460 -8.929 3.366 1.00 0.00 N HETATM 1772 C5 ATP A 201 8.084 -9.034 3.606 1.00 0.00 C HETATM 1773 C6 ATP A 201 6.953 -8.238 3.300 1.00 0.00 C HETATM 1774 N6 ATP A 201 6.984 -7.145 2.566 1.00 0.00 N HETATM 1775 N1 ATP A 201 5.746 -8.537 3.777 1.00 0.00 N HETATM 1776 C2 ATP A 201 5.629 -9.635 4.514 1.00 0.00 C HETATM 1777 N3 ATP A 201 6.578 -10.505 4.846 1.00 0.00 N HETATM 1778 C4 ATP A 201 7.798 -10.145 4.355 1.00 0.00 C HETATM 0 HO3' ATP A 201 8.397 -14.933 5.724 1.00 0.00 H new HETATM 0 HO2' ATP A 201 7.451 -13.098 3.349 1.00 0.00 H new HETATM 0 HN62 ATP A 201 6.125 -6.625 2.390 1.00 0.00 H new HETATM 0 HN61 ATP A 201 7.867 -6.819 2.174 1.00 0.00 H new HETATM 0 H5'2 ATP A 201 11.899 -12.458 3.858 1.00 0.00 H new HETATM 0 H5'1 ATP A 201 12.668 -13.963 4.321 1.00 0.00 H new HETATM 0 H8 ATP A 201 11.012 -10.186 4.038 1.00 0.00 H new HETATM 0 H4' ATP A 201 11.520 -13.771 6.561 1.00 0.00 H new HETATM 0 H3' ATP A 201 10.559 -15.042 4.324 1.00 0.00 H new HETATM 0 H2' ATP A 201 9.651 -13.004 3.213 1.00 0.00 H new HETATM 0 H2 ATP A 201 4.630 -9.850 4.894 1.00 0.00 H new HETATM 0 H1' ATP A 201 8.279 -12.247 5.815 1.00 0.00 H new