USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN : amide:sc= -0.527 X(o=0.49,f=0.51) USER MOD Set 1.2: A 88 THR OG1 : rot 76:sc= 1.02 USER MOD Set 2.1: A 74 TYR OH : rot 130:sc= 0.751 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -160:sc= 0.866 (180deg=0) USER MOD Set 3.1: A 40 ASN : amide:sc= -0.41 K(o=-0.41,f=-9.4!) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc=-0.000699 USER MOD Set 4.1: A 20 ASN : amide:sc= 0.232 K(o=0.29,f=-6.5!) USER MOD Set 4.2: A 22 ASN : amide:sc= 0.0634 X(o=0.29,f=0.17) USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0569 (180deg=-0.341) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= 1.13 (180deg=-0.621!) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 138:sc= -0.22 (180deg=-1.04) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 38 SER OG : rot 80:sc= 0.267 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -72:sc= 1.22 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 1.19 K(o=1.2,f=-4.4!) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0.872! (180deg=0.369!) USER MOD Single : A 59 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2.9!) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 1.3 (180deg=1.04) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0234 USER MOD Single : A 65 MET CE :methyl 136:sc= -1.03 (180deg=-2.62!) USER MOD Single : A 71 GLN : amide:sc= -1.13! C(o=-1.1!,f=-4.6!) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 1.4 (180deg=1.09) USER MOD Single : A 81 ASN : amide:sc= 0.852 K(o=0.85,f=-1.2!) USER MOD Single : A 83 ASN : amide:sc= -4.44! C(o=-4.4!,f=-7.1!) USER MOD Single : A 89 THR OG1 : rot -118:sc= 1.09 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.2!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 96 HIS : no HD1:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.009 18.057 2.233 1.00 0.00 N ATOM 2 CA MET A 1 -1.259 16.808 2.179 1.00 0.00 C ATOM 3 C MET A 1 -1.589 15.953 3.383 1.00 0.00 C ATOM 4 O MET A 1 -1.000 16.100 4.465 1.00 0.00 O ATOM 5 CB MET A 1 0.252 17.060 2.088 1.00 0.00 C ATOM 6 CG MET A 1 1.099 15.795 2.043 1.00 0.00 C ATOM 7 SD MET A 1 0.675 14.703 0.676 1.00 0.00 S ATOM 8 CE MET A 1 1.907 13.418 0.900 1.00 0.00 C ATOM 0 H1 MET A 1 -1.776 18.638 1.402 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.028 17.850 2.236 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.758 18.575 3.099 1.00 0.00 H new ATOM 0 HA MET A 1 -1.554 16.275 1.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.456 17.651 1.196 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.560 17.659 2.945 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.150 16.072 1.965 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.981 15.253 2.982 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.657 12.561 0.274 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.887 13.801 0.617 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.926 13.110 1.946 1.00 0.00 H new ATOM 20 N SER A 2 -2.555 15.104 3.219 1.00 0.00 N ATOM 21 CA SER A 2 -2.978 14.210 4.247 1.00 0.00 C ATOM 22 C SER A 2 -3.252 12.841 3.629 1.00 0.00 C ATOM 23 O SER A 2 -3.079 12.655 2.418 1.00 0.00 O ATOM 24 CB SER A 2 -4.245 14.752 4.921 1.00 0.00 C ATOM 25 OG SER A 2 -4.047 16.056 5.461 1.00 0.00 O ATOM 0 H SER A 2 -3.081 15.013 2.350 1.00 0.00 H new ATOM 0 HA SER A 2 -2.198 14.118 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.058 14.780 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.551 14.073 5.717 1.00 0.00 H new ATOM 0 HG SER A 2 -4.877 16.366 5.880 1.00 0.00 H new ATOM 31 N ILE A 3 -3.647 11.911 4.448 1.00 0.00 N ATOM 32 CA ILE A 3 -3.983 10.560 4.031 1.00 0.00 C ATOM 33 C ILE A 3 -4.934 10.004 5.109 1.00 0.00 C ATOM 34 O ILE A 3 -5.277 8.829 5.158 1.00 0.00 O ATOM 35 CB ILE A 3 -2.658 9.715 3.954 1.00 0.00 C ATOM 36 CG1 ILE A 3 -2.865 8.292 3.408 1.00 0.00 C ATOM 37 CG2 ILE A 3 -1.940 9.681 5.297 1.00 0.00 C ATOM 38 CD1 ILE A 3 -3.265 8.234 1.957 1.00 0.00 C ATOM 0 H ILE A 3 -3.751 12.064 5.451 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.460 10.527 3.051 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.024 10.230 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.942 7.727 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.631 7.795 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.029 9.089 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.684 10.697 5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.592 9.233 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.390 7.194 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.205 8.768 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.490 8.698 1.347 1.00 0.00 H new ATOM 50 N LEU A 4 -5.429 10.924 5.904 1.00 0.00 N ATOM 51 CA LEU A 4 -6.135 10.606 7.122 1.00 0.00 C ATOM 52 C LEU A 4 -7.630 10.633 6.927 1.00 0.00 C ATOM 53 O LEU A 4 -8.372 10.123 7.763 1.00 0.00 O ATOM 54 CB LEU A 4 -5.731 11.593 8.218 1.00 0.00 C ATOM 55 CG LEU A 4 -4.237 11.640 8.554 1.00 0.00 C ATOM 56 CD1 LEU A 4 -3.956 12.721 9.574 1.00 0.00 C ATOM 57 CD2 LEU A 4 -3.760 10.291 9.068 1.00 0.00 C ATOM 0 H LEU A 4 -5.352 11.924 5.721 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.862 9.593 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.048 12.591 7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.281 11.344 9.126 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.689 11.874 7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.890 12.739 9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.258 13.688 9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.517 12.516 10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.697 10.346 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.315 10.027 9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.926 9.531 8.304 1.00 0.00 H new ATOM 69 N GLU A 5 -8.068 11.217 5.828 1.00 0.00 N ATOM 70 CA GLU A 5 -9.476 11.375 5.526 1.00 0.00 C ATOM 71 C GLU A 5 -10.206 10.037 5.376 1.00 0.00 C ATOM 72 O GLU A 5 -11.441 9.982 5.469 1.00 0.00 O ATOM 73 CB GLU A 5 -9.672 12.182 4.236 1.00 0.00 C ATOM 74 CG GLU A 5 -8.859 13.464 4.146 1.00 0.00 C ATOM 75 CD GLU A 5 -7.476 13.264 3.563 1.00 0.00 C ATOM 76 OE1 GLU A 5 -6.567 12.846 4.294 1.00 0.00 O ATOM 77 OE2 GLU A 5 -7.295 13.529 2.342 1.00 0.00 O ATOM 0 H GLU A 5 -7.449 11.599 5.113 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.904 11.907 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.416 11.548 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.728 12.433 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.401 14.186 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.765 13.896 5.142 1.00 0.00 H new ATOM 84 N ASP A 6 -9.482 8.963 5.157 1.00 0.00 N ATOM 85 CA ASP A 6 -10.156 7.711 4.892 1.00 0.00 C ATOM 86 C ASP A 6 -9.985 6.678 6.000 1.00 0.00 C ATOM 87 O ASP A 6 -8.861 6.444 6.486 1.00 0.00 O ATOM 88 CB ASP A 6 -9.735 7.112 3.573 1.00 0.00 C ATOM 89 CG ASP A 6 -10.762 6.136 3.112 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.700 4.959 3.490 1.00 0.00 O ATOM 91 OD2 ASP A 6 -11.690 6.576 2.408 1.00 0.00 O ATOM 0 H ASP A 6 -8.463 8.927 5.156 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.214 7.969 4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.608 7.899 2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.770 6.616 3.680 1.00 0.00 H new ATOM 96 N PRO A 7 -11.106 6.060 6.435 1.00 0.00 N ATOM 97 CA PRO A 7 -11.110 4.981 7.432 1.00 0.00 C ATOM 98 C PRO A 7 -10.269 3.735 7.061 1.00 0.00 C ATOM 99 O PRO A 7 -9.851 3.002 7.960 1.00 0.00 O ATOM 100 CB PRO A 7 -12.585 4.591 7.552 1.00 0.00 C ATOM 101 CG PRO A 7 -13.329 5.792 7.109 1.00 0.00 C ATOM 102 CD PRO A 7 -12.492 6.426 6.044 1.00 0.00 C ATOM 0 HA PRO A 7 -10.651 5.338 8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.818 3.728 6.928 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.841 4.322 8.577 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.312 5.522 6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.490 6.479 7.939 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.744 6.045 5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.629 7.507 6.015 1.00 0.00 H new ATOM 110 N GLU A 8 -10.008 3.476 5.766 1.00 0.00 N ATOM 111 CA GLU A 8 -9.196 2.295 5.410 1.00 0.00 C ATOM 112 C GLU A 8 -7.775 2.461 5.943 1.00 0.00 C ATOM 113 O GLU A 8 -7.149 1.507 6.418 1.00 0.00 O ATOM 114 CB GLU A 8 -9.143 2.019 3.889 1.00 0.00 C ATOM 115 CG GLU A 8 -10.482 1.765 3.200 1.00 0.00 C ATOM 116 CD GLU A 8 -11.338 0.729 3.892 1.00 0.00 C ATOM 117 OE1 GLU A 8 -11.030 -0.476 3.842 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.353 1.109 4.527 1.00 0.00 O ATOM 0 H GLU A 8 -10.330 4.039 4.979 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.684 1.437 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.664 2.870 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.502 1.154 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.036 2.702 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.297 1.444 2.175 1.00 0.00 H new ATOM 125 N PHE A 9 -7.313 3.698 5.936 1.00 0.00 N ATOM 126 CA PHE A 9 -5.963 4.028 6.353 1.00 0.00 C ATOM 127 C PHE A 9 -5.759 3.793 7.849 1.00 0.00 C ATOM 128 O PHE A 9 -4.738 3.234 8.263 1.00 0.00 O ATOM 129 CB PHE A 9 -5.627 5.476 5.981 1.00 0.00 C ATOM 130 CG PHE A 9 -4.229 5.875 6.338 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.172 5.481 5.546 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.971 6.641 7.466 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.885 5.837 5.864 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.681 7.002 7.791 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.636 6.599 6.990 1.00 0.00 C ATOM 0 H PHE A 9 -7.865 4.503 5.640 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.281 3.363 5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.772 5.611 4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.327 6.144 6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.359 4.885 4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.789 6.958 8.096 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.066 5.522 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.491 7.599 8.671 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.623 6.878 7.241 1.00 0.00 H new ATOM 145 N VAL A 10 -6.734 4.190 8.657 1.00 0.00 N ATOM 146 CA VAL A 10 -6.611 4.028 10.101 1.00 0.00 C ATOM 147 C VAL A 10 -6.569 2.543 10.462 1.00 0.00 C ATOM 148 O VAL A 10 -5.852 2.136 11.364 1.00 0.00 O ATOM 149 CB VAL A 10 -7.704 4.799 10.929 1.00 0.00 C ATOM 150 CG1 VAL A 10 -9.100 4.248 10.716 1.00 0.00 C ATOM 151 CG2 VAL A 10 -7.354 4.832 12.414 1.00 0.00 C ATOM 0 H VAL A 10 -7.605 4.619 8.345 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.667 4.493 10.387 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.708 5.822 10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.812 4.819 11.312 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.365 4.326 9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.129 3.202 11.021 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.129 5.372 12.959 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.286 3.813 12.795 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.397 5.335 12.551 1.00 0.00 H new ATOM 161 N LYS A 11 -7.304 1.735 9.709 1.00 0.00 N ATOM 162 CA LYS A 11 -7.317 0.304 9.923 1.00 0.00 C ATOM 163 C LYS A 11 -5.947 -0.306 9.620 1.00 0.00 C ATOM 164 O LYS A 11 -5.490 -1.189 10.344 1.00 0.00 O ATOM 165 CB LYS A 11 -8.441 -0.359 9.133 1.00 0.00 C ATOM 166 CG LYS A 11 -9.820 0.063 9.624 1.00 0.00 C ATOM 167 CD LYS A 11 -10.959 -0.561 8.825 1.00 0.00 C ATOM 168 CE LYS A 11 -11.004 -0.044 7.404 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.182 -0.535 6.665 1.00 0.00 N ATOM 0 H LYS A 11 -7.899 2.053 8.944 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.521 0.114 10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.340 -0.104 8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.346 -1.442 9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.926 -0.215 10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.901 1.149 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.842 -1.645 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.907 -0.348 9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.015 1.046 7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.097 -0.348 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.556 0.226 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.907 -1.343 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.915 -0.835 7.339 1.00 0.00 H new ATOM 183 N LEU A 12 -5.281 0.206 8.580 1.00 0.00 N ATOM 184 CA LEU A 12 -3.904 -0.198 8.257 1.00 0.00 C ATOM 185 C LEU A 12 -2.990 0.111 9.437 1.00 0.00 C ATOM 186 O LEU A 12 -2.164 -0.712 9.847 1.00 0.00 O ATOM 187 CB LEU A 12 -3.389 0.553 7.020 1.00 0.00 C ATOM 188 CG LEU A 12 -4.030 0.220 5.680 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.489 1.157 4.623 1.00 0.00 C ATOM 190 CD2 LEU A 12 -3.720 -1.210 5.290 1.00 0.00 C ATOM 0 H LEU A 12 -5.672 0.902 7.945 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.903 -1.268 8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.516 1.621 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.318 0.369 6.936 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.111 0.337 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.945 0.923 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.724 2.186 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.408 1.038 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.185 -1.434 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.641 -1.339 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.111 -1.887 6.049 1.00 0.00 H new ATOM 202 N ARG A 13 -3.172 1.301 9.987 1.00 0.00 N ATOM 203 CA ARG A 13 -2.419 1.768 11.143 1.00 0.00 C ATOM 204 C ARG A 13 -2.675 0.870 12.352 1.00 0.00 C ATOM 205 O ARG A 13 -1.754 0.572 13.106 1.00 0.00 O ATOM 206 CB ARG A 13 -2.794 3.217 11.459 1.00 0.00 C ATOM 207 CG ARG A 13 -2.428 4.209 10.360 1.00 0.00 C ATOM 208 CD ARG A 13 -1.084 4.900 10.603 1.00 0.00 C ATOM 209 NE ARG A 13 0.065 3.991 10.742 1.00 0.00 N ATOM 210 CZ ARG A 13 1.345 4.403 10.781 1.00 0.00 C ATOM 211 NH1 ARG A 13 1.647 5.676 10.546 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.323 3.532 11.007 1.00 0.00 N ATOM 0 H ARG A 13 -3.853 1.977 9.641 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.355 1.724 10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.867 3.272 11.640 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.299 3.516 12.383 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.395 3.687 9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.210 4.964 10.284 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.889 5.584 9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.161 5.505 11.506 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.120 2.990 10.813 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.907 6.345 10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.619 5.984 10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.105 2.546 11.152 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.292 3.849 11.036 1.00 0.00 H new ATOM 226 N GLN A 14 -3.925 0.434 12.514 1.00 0.00 N ATOM 227 CA GLN A 14 -4.318 -0.464 13.610 1.00 0.00 C ATOM 228 C GLN A 14 -3.623 -1.817 13.501 1.00 0.00 C ATOM 229 O GLN A 14 -3.175 -2.368 14.502 1.00 0.00 O ATOM 230 CB GLN A 14 -5.833 -0.687 13.647 1.00 0.00 C ATOM 231 CG GLN A 14 -6.660 0.559 13.932 1.00 0.00 C ATOM 232 CD GLN A 14 -8.155 0.273 13.993 1.00 0.00 C ATOM 233 OE1 GLN A 14 -8.609 -0.717 13.259 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -8.901 0.946 14.712 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.693 0.690 11.894 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.008 0.027 14.532 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.147 -1.102 12.690 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.057 -1.435 14.408 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.339 0.994 14.878 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.468 1.302 13.158 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.519 1.709 15.271 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.899 0.739 14.747 1.00 0.00 H new ATOM 243 N PHE A 15 -3.523 -2.346 12.284 1.00 0.00 N ATOM 244 CA PHE A 15 -2.897 -3.636 12.066 1.00 0.00 C ATOM 245 C PHE A 15 -1.385 -3.560 12.184 1.00 0.00 C ATOM 246 O PHE A 15 -0.721 -4.580 12.253 1.00 0.00 O ATOM 247 CB PHE A 15 -3.300 -4.236 10.717 1.00 0.00 C ATOM 248 CG PHE A 15 -4.744 -4.654 10.630 1.00 0.00 C ATOM 249 CD1 PHE A 15 -5.270 -5.567 11.531 1.00 0.00 C ATOM 250 CD2 PHE A 15 -5.568 -4.150 9.642 1.00 0.00 C ATOM 251 CE1 PHE A 15 -6.589 -5.963 11.448 1.00 0.00 C ATOM 252 CE2 PHE A 15 -6.891 -4.541 9.554 1.00 0.00 C ATOM 253 CZ PHE A 15 -7.402 -5.447 10.458 1.00 0.00 C ATOM 0 H PHE A 15 -3.870 -1.896 11.437 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.260 -4.296 12.854 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.098 -3.506 9.933 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.670 -5.103 10.516 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.639 -5.973 12.308 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.173 -3.441 8.929 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.985 -6.676 12.156 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.524 -4.137 8.778 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.436 -5.753 10.392 1.00 0.00 H new ATOM 263 N LYS A 16 -0.856 -2.329 12.171 1.00 0.00 N ATOM 264 CA LYS A 16 0.586 -2.028 12.331 1.00 0.00 C ATOM 265 C LYS A 16 1.394 -2.483 11.108 1.00 0.00 C ATOM 266 O LYS A 16 2.616 -2.352 11.080 1.00 0.00 O ATOM 267 CB LYS A 16 1.173 -2.676 13.615 1.00 0.00 C ATOM 268 CG LYS A 16 0.425 -2.360 14.916 1.00 0.00 C ATOM 269 CD LYS A 16 0.473 -0.885 15.306 1.00 0.00 C ATOM 270 CE LYS A 16 1.891 -0.414 15.610 1.00 0.00 C ATOM 271 NZ LYS A 16 1.893 0.930 16.217 1.00 0.00 N ATOM 0 H LYS A 16 -1.425 -1.492 12.047 1.00 0.00 H new ATOM 0 HA LYS A 16 0.667 -0.945 12.423 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.190 -3.757 13.480 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.208 -2.352 13.724 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.616 -2.665 14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.851 -2.955 15.724 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.058 -0.284 14.497 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.157 -0.722 16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.374 -1.121 16.285 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.477 -0.401 14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.872 1.222 16.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.454 1.608 15.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.354 0.910 17.106 1.00 0.00 H new ATOM 285 N GLY A 17 0.709 -3.002 10.116 1.00 0.00 N ATOM 286 CA GLY A 17 1.348 -3.502 8.932 1.00 0.00 C ATOM 287 C GLY A 17 1.580 -5.000 9.017 1.00 0.00 C ATOM 288 O GLY A 17 0.802 -5.784 8.464 1.00 0.00 O ATOM 0 H GLY A 17 -0.307 -3.087 10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.732 -3.277 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.301 -2.992 8.788 1.00 0.00 H new ATOM 292 N LYS A 18 2.657 -5.386 9.734 1.00 0.00 N ATOM 293 CA LYS A 18 3.082 -6.796 9.942 1.00 0.00 C ATOM 294 C LYS A 18 3.485 -7.499 8.645 1.00 0.00 C ATOM 295 O LYS A 18 3.715 -8.713 8.629 1.00 0.00 O ATOM 296 CB LYS A 18 1.986 -7.572 10.637 1.00 0.00 C ATOM 297 CG LYS A 18 1.715 -7.120 12.058 1.00 0.00 C ATOM 298 CD LYS A 18 0.362 -7.603 12.509 1.00 0.00 C ATOM 299 CE LYS A 18 0.244 -9.118 12.467 1.00 0.00 C ATOM 300 NZ LYS A 18 -1.122 -9.572 12.752 1.00 0.00 N ATOM 0 H LYS A 18 3.271 -4.716 10.196 1.00 0.00 H new ATOM 0 HA LYS A 18 3.972 -6.766 10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.068 -7.482 10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.254 -8.628 10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.487 -7.506 12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.759 -6.032 12.116 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.175 -7.255 13.525 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.408 -7.164 11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.548 -9.478 11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.930 -9.555 13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.158 -10.611 12.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.404 -9.251 13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.774 -9.176 12.045 1.00 0.00 H new ATOM 314 N VAL A 19 3.613 -6.736 7.602 1.00 0.00 N ATOM 315 CA VAL A 19 3.911 -7.241 6.280 1.00 0.00 C ATOM 316 C VAL A 19 5.383 -7.059 5.953 1.00 0.00 C ATOM 317 O VAL A 19 6.121 -6.397 6.699 1.00 0.00 O ATOM 318 CB VAL A 19 3.048 -6.541 5.197 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.573 -6.788 5.440 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.318 -5.057 5.177 1.00 0.00 C ATOM 0 H VAL A 19 3.512 -5.722 7.639 1.00 0.00 H new ATOM 0 HA VAL A 19 3.672 -8.304 6.279 1.00 0.00 H new ATOM 0 HB VAL A 19 3.321 -6.964 4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.988 -6.287 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.374 -7.859 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.295 -6.395 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.703 -4.586 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.076 -4.630 6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.371 -4.882 4.956 1.00 0.00 H new ATOM 330 N ASN A 20 5.807 -7.663 4.878 1.00 0.00 N ATOM 331 CA ASN A 20 7.172 -7.569 4.419 1.00 0.00 C ATOM 332 C ASN A 20 7.356 -6.228 3.767 1.00 0.00 C ATOM 333 O ASN A 20 6.781 -5.969 2.701 1.00 0.00 O ATOM 334 CB ASN A 20 7.452 -8.643 3.373 1.00 0.00 C ATOM 335 CG ASN A 20 8.925 -8.858 3.070 1.00 0.00 C ATOM 336 OD1 ASN A 20 9.738 -7.941 3.134 1.00 0.00 O ATOM 337 ND2 ASN A 20 9.265 -10.068 2.722 1.00 0.00 N ATOM 0 H ASN A 20 5.211 -8.242 4.287 1.00 0.00 H new ATOM 0 HA ASN A 20 7.847 -7.699 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.023 -9.585 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.939 -8.375 2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.236 -10.278 2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.560 -10.804 2.680 1.00 0.00 H new ATOM 344 N PHE A 21 8.159 -5.395 4.376 1.00 0.00 N ATOM 345 CA PHE A 21 8.443 -4.068 3.869 1.00 0.00 C ATOM 346 C PHE A 21 9.027 -4.144 2.480 1.00 0.00 C ATOM 347 O PHE A 21 8.694 -3.347 1.611 1.00 0.00 O ATOM 348 CB PHE A 21 9.422 -3.344 4.806 1.00 0.00 C ATOM 349 CG PHE A 21 9.987 -2.065 4.235 1.00 0.00 C ATOM 350 CD1 PHE A 21 9.185 -0.956 4.043 1.00 0.00 C ATOM 351 CD2 PHE A 21 11.326 -1.987 3.883 1.00 0.00 C ATOM 352 CE1 PHE A 21 9.706 0.207 3.506 1.00 0.00 C ATOM 353 CE2 PHE A 21 11.852 -0.830 3.350 1.00 0.00 C ATOM 354 CZ PHE A 21 11.041 0.269 3.160 1.00 0.00 C ATOM 0 H PHE A 21 8.642 -5.616 5.247 1.00 0.00 H new ATOM 0 HA PHE A 21 7.508 -3.509 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.912 -3.118 5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.245 -4.017 5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.141 -0.998 4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.966 -2.845 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.069 1.066 3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.897 -0.784 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.450 1.177 2.741 1.00 0.00 H new ATOM 364 N ASN A 22 9.801 -5.170 2.252 1.00 0.00 N ATOM 365 CA ASN A 22 10.544 -5.289 1.015 1.00 0.00 C ATOM 366 C ASN A 22 9.621 -5.675 -0.095 1.00 0.00 C ATOM 367 O ASN A 22 9.732 -5.170 -1.222 1.00 0.00 O ATOM 368 CB ASN A 22 11.684 -6.315 1.123 1.00 0.00 C ATOM 369 CG ASN A 22 12.734 -5.956 2.154 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.705 -5.244 1.853 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.581 -6.461 3.357 1.00 0.00 N ATOM 0 H ASN A 22 9.938 -5.941 2.906 1.00 0.00 H new ATOM 0 HA ASN A 22 10.992 -4.318 0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.262 -7.289 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.164 -6.415 0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.274 -6.272 4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.769 -7.042 3.567 1.00 0.00 H new ATOM 378 N LEU A 23 8.678 -6.524 0.219 1.00 0.00 N ATOM 379 CA LEU A 23 7.780 -7.001 -0.776 1.00 0.00 C ATOM 380 C LEU A 23 6.728 -5.958 -1.094 1.00 0.00 C ATOM 381 O LEU A 23 6.435 -5.731 -2.253 1.00 0.00 O ATOM 382 CB LEU A 23 7.185 -8.351 -0.395 1.00 0.00 C ATOM 383 CG LEU A 23 6.351 -9.066 -1.466 1.00 0.00 C ATOM 384 CD1 LEU A 23 7.106 -9.141 -2.793 1.00 0.00 C ATOM 385 CD2 LEU A 23 6.043 -10.460 -0.991 1.00 0.00 C ATOM 0 H LEU A 23 8.519 -6.893 1.156 1.00 0.00 H new ATOM 0 HA LEU A 23 8.343 -7.172 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.001 -9.012 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.558 -8.210 0.486 1.00 0.00 H new ATOM 0 HG LEU A 23 5.431 -8.503 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.491 -9.653 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.330 -8.133 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.036 -9.691 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.450 -10.978 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.974 -11.002 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.481 -10.411 -0.058 1.00 0.00 H new ATOM 397 N VAL A 24 6.217 -5.275 -0.070 1.00 0.00 N ATOM 398 CA VAL A 24 5.205 -4.237 -0.279 1.00 0.00 C ATOM 399 C VAL A 24 5.799 -3.090 -1.066 1.00 0.00 C ATOM 400 O VAL A 24 5.164 -2.549 -1.964 1.00 0.00 O ATOM 401 CB VAL A 24 4.614 -3.725 1.053 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.610 -2.600 0.818 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.947 -4.866 1.778 1.00 0.00 C ATOM 0 H VAL A 24 6.483 -5.419 0.904 1.00 0.00 H new ATOM 0 HA VAL A 24 4.387 -4.682 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 24 5.427 -3.327 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.212 -2.262 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.106 -1.769 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.794 -2.965 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.530 -4.505 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.148 -5.273 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.681 -5.646 1.982 1.00 0.00 H new ATOM 413 N MET A 25 7.046 -2.767 -0.755 1.00 0.00 N ATOM 414 CA MET A 25 7.791 -1.743 -1.469 1.00 0.00 C ATOM 415 C MET A 25 7.863 -2.098 -2.950 1.00 0.00 C ATOM 416 O MET A 25 7.752 -1.233 -3.806 1.00 0.00 O ATOM 417 CB MET A 25 9.191 -1.604 -0.860 1.00 0.00 C ATOM 418 CG MET A 25 10.083 -0.557 -1.498 1.00 0.00 C ATOM 419 SD MET A 25 11.680 -0.412 -0.655 1.00 0.00 S ATOM 420 CE MET A 25 12.361 -2.047 -0.921 1.00 0.00 C ATOM 0 H MET A 25 7.569 -3.209 0.001 1.00 0.00 H new ATOM 0 HA MET A 25 7.283 -0.783 -1.375 1.00 0.00 H new ATOM 0 HB2 MET A 25 9.085 -1.368 0.199 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.692 -2.570 -0.923 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.249 -0.812 -2.545 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.577 0.408 -1.482 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.418 -1.964 -1.176 1.00 0.00 H new ATOM 0 HE2 MET A 25 12.252 -2.639 -0.012 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.828 -2.535 -1.737 1.00 0.00 H new ATOM 430 N GLN A 26 7.999 -3.384 -3.235 1.00 0.00 N ATOM 431 CA GLN A 26 8.020 -3.869 -4.593 1.00 0.00 C ATOM 432 C GLN A 26 6.617 -3.884 -5.203 1.00 0.00 C ATOM 433 O GLN A 26 6.462 -3.541 -6.353 1.00 0.00 O ATOM 434 CB GLN A 26 8.681 -5.239 -4.680 1.00 0.00 C ATOM 435 CG GLN A 26 8.694 -5.843 -6.072 1.00 0.00 C ATOM 436 CD GLN A 26 9.477 -7.127 -6.135 1.00 0.00 C ATOM 437 OE1 GLN A 26 9.573 -7.867 -5.150 1.00 0.00 O ATOM 438 NE2 GLN A 26 10.024 -7.415 -7.278 1.00 0.00 N ATOM 0 H GLN A 26 8.097 -4.113 -2.529 1.00 0.00 H new ATOM 0 HA GLN A 26 8.622 -3.176 -5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.708 -5.156 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.164 -5.922 -4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.669 -6.030 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.122 -5.125 -6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.921 -6.777 -8.068 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.556 -8.279 -7.386 1.00 0.00 H new ATOM 447 N ILE A 27 5.609 -4.280 -4.419 1.00 0.00 N ATOM 448 CA ILE A 27 4.197 -4.287 -4.872 1.00 0.00 C ATOM 449 C ILE A 27 3.803 -2.880 -5.329 1.00 0.00 C ATOM 450 O ILE A 27 3.321 -2.679 -6.456 1.00 0.00 O ATOM 451 CB ILE A 27 3.214 -4.726 -3.727 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.528 -6.143 -3.196 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.751 -4.634 -4.178 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.379 -7.262 -4.205 1.00 0.00 C ATOM 0 H ILE A 27 5.737 -4.603 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 27 4.120 -5.004 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 27 3.366 -4.027 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.550 -6.152 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.872 -6.349 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.098 -4.945 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.520 -3.606 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.593 -5.286 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.622 -8.213 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.352 -7.290 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.056 -7.090 -5.042 1.00 0.00 H new ATOM 466 N LEU A 28 4.059 -1.917 -4.460 1.00 0.00 N ATOM 467 CA LEU A 28 3.762 -0.519 -4.711 1.00 0.00 C ATOM 468 C LEU A 28 4.555 -0.019 -5.911 1.00 0.00 C ATOM 469 O LEU A 28 4.039 0.682 -6.761 1.00 0.00 O ATOM 470 CB LEU A 28 4.112 0.305 -3.473 1.00 0.00 C ATOM 471 CG LEU A 28 3.361 -0.047 -2.182 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.913 0.750 -1.030 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.875 0.213 -2.326 1.00 0.00 C ATOM 0 H LEU A 28 4.484 -2.087 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 28 2.699 -0.412 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.181 0.201 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.928 1.355 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 28 3.503 -1.110 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.374 0.493 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.971 0.520 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.795 1.814 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.369 -0.045 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.710 1.267 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.476 -0.396 -3.138 1.00 0.00 H new ATOM 485 N ASP A 29 5.802 -0.426 -5.975 1.00 0.00 N ATOM 486 CA ASP A 29 6.711 -0.061 -7.065 1.00 0.00 C ATOM 487 C ASP A 29 6.207 -0.613 -8.379 1.00 0.00 C ATOM 488 O ASP A 29 6.166 0.077 -9.386 1.00 0.00 O ATOM 489 CB ASP A 29 8.073 -0.670 -6.792 1.00 0.00 C ATOM 490 CG ASP A 29 9.147 -0.224 -7.750 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.667 0.907 -7.599 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.525 -1.014 -8.639 1.00 0.00 O ATOM 0 H ASP A 29 6.229 -1.027 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 29 6.771 1.026 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.377 -0.414 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.989 -1.756 -6.836 1.00 0.00 H new ATOM 497 N GLU A 30 5.804 -1.857 -8.332 1.00 0.00 N ATOM 498 CA GLU A 30 5.366 -2.608 -9.492 1.00 0.00 C ATOM 499 C GLU A 30 4.112 -1.974 -10.112 1.00 0.00 C ATOM 500 O GLU A 30 4.033 -1.807 -11.336 1.00 0.00 O ATOM 501 CB GLU A 30 5.122 -4.070 -9.092 1.00 0.00 C ATOM 502 CG GLU A 30 5.297 -5.072 -10.216 1.00 0.00 C ATOM 503 CD GLU A 30 5.123 -6.498 -9.749 1.00 0.00 C ATOM 504 OE1 GLU A 30 5.965 -6.992 -8.962 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.181 -7.169 -10.188 1.00 0.00 O ATOM 0 H GLU A 30 5.769 -2.394 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 30 6.146 -2.583 -10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.804 -4.330 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.110 -4.160 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.574 -4.860 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.289 -4.954 -10.653 1.00 0.00 H new ATOM 512 N ILE A 31 3.142 -1.602 -9.281 1.00 0.00 N ATOM 513 CA ILE A 31 1.952 -0.930 -9.804 1.00 0.00 C ATOM 514 C ILE A 31 2.318 0.481 -10.270 1.00 0.00 C ATOM 515 O ILE A 31 1.834 0.945 -11.295 1.00 0.00 O ATOM 516 CB ILE A 31 0.768 -0.843 -8.780 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.160 -0.030 -7.548 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.297 -2.230 -8.373 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.043 0.215 -6.583 1.00 0.00 C ATOM 0 H ILE A 31 3.151 -1.748 -8.272 1.00 0.00 H new ATOM 0 HA ILE A 31 1.602 -1.541 -10.636 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.057 -0.331 -9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.965 -0.549 -7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.558 0.931 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.525 -2.141 -7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.043 -2.772 -9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.121 -2.772 -7.909 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.412 0.799 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.756 0.763 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.342 -0.739 -6.223 1.00 0.00 H new ATOM 531 N GLU A 32 3.222 1.127 -9.531 1.00 0.00 N ATOM 532 CA GLU A 32 3.649 2.476 -9.813 1.00 0.00 C ATOM 533 C GLU A 32 4.316 2.567 -11.165 1.00 0.00 C ATOM 534 O GLU A 32 3.904 3.353 -11.993 1.00 0.00 O ATOM 535 CB GLU A 32 4.590 2.982 -8.728 1.00 0.00 C ATOM 536 CG GLU A 32 5.054 4.404 -8.924 1.00 0.00 C ATOM 537 CD GLU A 32 5.954 4.870 -7.818 1.00 0.00 C ATOM 538 OE1 GLU A 32 5.468 5.185 -6.722 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.177 4.926 -8.030 1.00 0.00 O ATOM 0 H GLU A 32 3.675 0.715 -8.716 1.00 0.00 H new ATOM 0 HA GLU A 32 2.760 3.107 -9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.088 2.905 -7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.462 2.330 -8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.581 4.484 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.187 5.061 -8.984 1.00 0.00 H new ATOM 546 N LEU A 33 5.317 1.732 -11.397 1.00 0.00 N ATOM 547 CA LEU A 33 6.060 1.757 -12.648 1.00 0.00 C ATOM 548 C LEU A 33 5.161 1.505 -13.856 1.00 0.00 C ATOM 549 O LEU A 33 5.364 2.096 -14.923 1.00 0.00 O ATOM 550 CB LEU A 33 7.316 0.836 -12.604 1.00 0.00 C ATOM 551 CG LEU A 33 7.129 -0.682 -12.339 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.585 -1.425 -13.548 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.427 -1.308 -11.880 1.00 0.00 C ATOM 0 H LEU A 33 5.635 1.026 -10.733 1.00 0.00 H new ATOM 0 HA LEU A 33 6.444 2.769 -12.775 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.835 0.942 -13.557 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.982 1.225 -11.833 1.00 0.00 H new ATOM 0 HG LEU A 33 6.386 -0.772 -11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.474 -2.482 -13.306 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.614 -1.012 -13.822 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.276 -1.315 -14.384 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.274 -2.372 -11.700 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.187 -1.176 -12.650 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.757 -0.828 -10.959 1.00 0.00 H new ATOM 565 N ASP A 34 4.142 0.675 -13.671 1.00 0.00 N ATOM 566 CA ASP A 34 3.185 0.410 -14.736 1.00 0.00 C ATOM 567 C ASP A 34 2.328 1.635 -14.954 1.00 0.00 C ATOM 568 O ASP A 34 2.192 2.104 -16.071 1.00 0.00 O ATOM 569 CB ASP A 34 2.298 -0.804 -14.428 1.00 0.00 C ATOM 570 CG ASP A 34 1.281 -1.082 -15.536 1.00 0.00 C ATOM 571 OD1 ASP A 34 0.163 -0.522 -15.494 1.00 0.00 O ATOM 572 OD2 ASP A 34 1.580 -1.869 -16.457 1.00 0.00 O ATOM 0 H ASP A 34 3.958 0.177 -12.800 1.00 0.00 H new ATOM 0 HA ASP A 34 3.746 0.178 -15.641 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.927 -1.683 -14.287 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.771 -0.636 -13.489 1.00 0.00 H new ATOM 577 N LEU A 35 1.817 2.186 -13.863 1.00 0.00 N ATOM 578 CA LEU A 35 0.954 3.369 -13.885 1.00 0.00 C ATOM 579 C LEU A 35 1.697 4.624 -14.378 1.00 0.00 C ATOM 580 O LEU A 35 1.085 5.579 -14.828 1.00 0.00 O ATOM 581 CB LEU A 35 0.351 3.611 -12.496 1.00 0.00 C ATOM 582 CG LEU A 35 -0.594 4.809 -12.357 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.810 4.663 -13.260 1.00 0.00 C ATOM 584 CD2 LEU A 35 -1.015 4.977 -10.920 1.00 0.00 C ATOM 0 H LEU A 35 1.989 1.824 -12.925 1.00 0.00 H new ATOM 0 HA LEU A 35 0.151 3.174 -14.596 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.191 2.713 -12.199 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.169 3.738 -11.787 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.055 5.703 -12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.460 5.529 -13.138 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.486 4.596 -14.299 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.356 3.759 -12.992 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.686 5.832 -10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.529 4.077 -10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.134 5.144 -10.300 1.00 0.00 H new ATOM 596 N ARG A 36 3.005 4.639 -14.251 1.00 0.00 N ATOM 597 CA ARG A 36 3.780 5.750 -14.749 1.00 0.00 C ATOM 598 C ARG A 36 3.802 5.749 -16.277 1.00 0.00 C ATOM 599 O ARG A 36 3.806 6.809 -16.917 1.00 0.00 O ATOM 600 CB ARG A 36 5.199 5.776 -14.164 1.00 0.00 C ATOM 601 CG ARG A 36 5.236 5.956 -12.651 1.00 0.00 C ATOM 602 CD ARG A 36 6.649 6.160 -12.111 1.00 0.00 C ATOM 603 NE ARG A 36 7.581 5.092 -12.503 1.00 0.00 N ATOM 604 CZ ARG A 36 8.466 4.484 -11.692 1.00 0.00 C ATOM 605 NH1 ARG A 36 8.414 4.644 -10.384 1.00 0.00 N ATOM 606 NH2 ARG A 36 9.380 3.676 -12.198 1.00 0.00 N ATOM 0 H ARG A 36 3.551 3.899 -13.810 1.00 0.00 H new ATOM 0 HA ARG A 36 3.292 6.666 -14.416 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.706 4.846 -14.423 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.760 6.586 -14.631 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.621 6.813 -12.377 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.794 5.081 -12.175 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.032 7.116 -12.467 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.610 6.218 -11.023 1.00 0.00 H new ATOM 0 HE ARG A 36 7.554 4.785 -13.475 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.694 5.237 -9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.094 4.175 -9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.415 3.513 -13.204 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.051 3.215 -11.583 1.00 0.00 H new ATOM 620 N GLY A 37 3.779 4.568 -16.854 1.00 0.00 N ATOM 621 CA GLY A 37 3.749 4.454 -18.296 1.00 0.00 C ATOM 622 C GLY A 37 2.324 4.396 -18.814 1.00 0.00 C ATOM 623 O GLY A 37 1.991 4.988 -19.847 1.00 0.00 O ATOM 0 H GLY A 37 3.780 3.680 -16.353 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.266 5.304 -18.741 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.287 3.557 -18.603 1.00 0.00 H new ATOM 627 N SER A 38 1.489 3.713 -18.083 1.00 0.00 N ATOM 628 CA SER A 38 0.105 3.519 -18.434 1.00 0.00 C ATOM 629 C SER A 38 -0.773 4.589 -17.746 1.00 0.00 C ATOM 630 O SER A 38 -0.251 5.559 -17.203 1.00 0.00 O ATOM 631 CB SER A 38 -0.300 2.130 -17.989 1.00 0.00 C ATOM 632 OG SER A 38 0.662 1.171 -18.421 1.00 0.00 O ATOM 0 H SER A 38 1.755 3.264 -17.206 1.00 0.00 H new ATOM 0 HA SER A 38 -0.032 3.618 -19.511 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.390 2.101 -16.903 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.280 1.881 -18.397 1.00 0.00 H new ATOM 0 HG SER A 38 1.430 1.180 -17.812 1.00 0.00 H new ATOM 638 N ASP A 39 -2.093 4.441 -17.803 1.00 0.00 N ATOM 639 CA ASP A 39 -2.984 5.437 -17.181 1.00 0.00 C ATOM 640 C ASP A 39 -4.005 4.799 -16.247 1.00 0.00 C ATOM 641 O ASP A 39 -4.703 5.505 -15.526 1.00 0.00 O ATOM 642 CB ASP A 39 -3.748 6.267 -18.245 1.00 0.00 C ATOM 643 CG ASP A 39 -4.846 5.486 -18.963 1.00 0.00 C ATOM 644 OD1 ASP A 39 -4.530 4.746 -19.926 1.00 0.00 O ATOM 645 OD2 ASP A 39 -6.050 5.605 -18.588 1.00 0.00 O ATOM 0 H ASP A 39 -2.569 3.663 -18.260 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.331 6.091 -16.602 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.191 7.139 -17.763 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.037 6.638 -18.983 1.00 0.00 H new ATOM 650 N ASN A 40 -4.078 3.488 -16.225 1.00 0.00 N ATOM 651 CA ASN A 40 -5.126 2.820 -15.479 1.00 0.00 C ATOM 652 C ASN A 40 -4.530 2.061 -14.322 1.00 0.00 C ATOM 653 O ASN A 40 -3.925 1.009 -14.512 1.00 0.00 O ATOM 654 CB ASN A 40 -5.891 1.875 -16.410 1.00 0.00 C ATOM 655 CG ASN A 40 -7.168 1.307 -15.816 1.00 0.00 C ATOM 656 OD1 ASN A 40 -7.274 1.076 -14.626 1.00 0.00 O ATOM 657 ND2 ASN A 40 -8.156 1.104 -16.652 1.00 0.00 N ATOM 0 H ASN A 40 -3.432 2.865 -16.710 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.820 3.560 -15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.138 2.409 -17.327 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.236 1.050 -16.688 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.047 0.742 -16.311 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.035 1.308 -17.644 1.00 0.00 H new ATOM 664 N ILE A 41 -4.712 2.582 -13.128 1.00 0.00 N ATOM 665 CA ILE A 41 -4.123 1.982 -11.949 1.00 0.00 C ATOM 666 C ILE A 41 -4.876 0.719 -11.548 1.00 0.00 C ATOM 667 O ILE A 41 -4.295 -0.191 -10.978 1.00 0.00 O ATOM 668 CB ILE A 41 -4.031 2.975 -10.754 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.332 2.314 -9.541 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.406 3.518 -10.392 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.119 3.225 -8.357 1.00 0.00 C ATOM 0 H ILE A 41 -5.264 3.421 -12.947 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.101 1.710 -12.212 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.418 3.824 -11.058 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.926 1.458 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.365 1.929 -9.863 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.315 4.209 -9.554 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.828 4.041 -11.250 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.061 2.693 -10.112 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.624 2.673 -7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.497 4.069 -8.655 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.082 3.591 -8.002 1.00 0.00 H new ATOM 683 N LYS A 42 -6.157 0.663 -11.884 1.00 0.00 N ATOM 684 CA LYS A 42 -6.975 -0.522 -11.612 1.00 0.00 C ATOM 685 C LYS A 42 -6.353 -1.706 -12.323 1.00 0.00 C ATOM 686 O LYS A 42 -6.143 -2.771 -11.735 1.00 0.00 O ATOM 687 CB LYS A 42 -8.396 -0.356 -12.145 1.00 0.00 C ATOM 688 CG LYS A 42 -9.087 0.934 -11.756 1.00 0.00 C ATOM 689 CD LYS A 42 -10.538 0.961 -12.238 1.00 0.00 C ATOM 690 CE LYS A 42 -10.616 0.857 -13.751 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.000 0.791 -14.244 1.00 0.00 N ATOM 0 H LYS A 42 -6.657 1.422 -12.346 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.016 -0.668 -10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.368 -0.420 -13.233 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.999 -1.193 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.060 1.050 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.546 1.780 -12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.090 0.137 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.016 1.884 -11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.116 1.717 -14.197 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.075 -0.031 -14.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.996 0.721 -15.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.472 -0.044 -13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.512 1.649 -13.957 1.00 0.00 H new ATOM 705 N THR A 43 -6.051 -1.494 -13.585 1.00 0.00 N ATOM 706 CA THR A 43 -5.408 -2.495 -14.403 1.00 0.00 C ATOM 707 C THR A 43 -3.986 -2.791 -13.881 1.00 0.00 C ATOM 708 O THR A 43 -3.561 -3.958 -13.849 1.00 0.00 O ATOM 709 CB THR A 43 -5.386 -2.064 -15.886 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.722 -1.720 -16.280 1.00 0.00 O ATOM 711 CG2 THR A 43 -4.907 -3.198 -16.775 1.00 0.00 C ATOM 0 H THR A 43 -6.246 -0.620 -14.073 1.00 0.00 H new ATOM 0 HA THR A 43 -5.987 -3.416 -14.338 1.00 0.00 H new ATOM 0 HB THR A 43 -4.708 -1.218 -15.994 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.725 -1.442 -17.220 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.901 -2.868 -17.814 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.899 -3.490 -16.481 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.577 -4.051 -16.669 1.00 0.00 H new ATOM 719 N SER A 44 -3.275 -1.748 -13.436 1.00 0.00 N ATOM 720 CA SER A 44 -1.955 -1.922 -12.834 1.00 0.00 C ATOM 721 C SER A 44 -2.044 -2.848 -11.596 1.00 0.00 C ATOM 722 O SER A 44 -1.192 -3.729 -11.397 1.00 0.00 O ATOM 723 CB SER A 44 -1.365 -0.568 -12.440 1.00 0.00 C ATOM 724 OG SER A 44 -1.353 0.327 -13.544 1.00 0.00 O ATOM 0 H SER A 44 -3.593 -0.780 -13.483 1.00 0.00 H new ATOM 0 HA SER A 44 -1.299 -2.386 -13.570 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.947 -0.137 -11.625 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.350 -0.705 -12.068 1.00 0.00 H new ATOM 0 HG SER A 44 -0.667 0.046 -14.185 1.00 0.00 H new ATOM 730 N ILE A 45 -3.102 -2.656 -10.791 1.00 0.00 N ATOM 731 CA ILE A 45 -3.373 -3.490 -9.620 1.00 0.00 C ATOM 732 C ILE A 45 -3.526 -4.949 -10.055 1.00 0.00 C ATOM 733 O ILE A 45 -2.907 -5.841 -9.475 1.00 0.00 O ATOM 734 CB ILE A 45 -4.684 -3.031 -8.865 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.542 -1.613 -8.266 1.00 0.00 C ATOM 736 CG2 ILE A 45 -5.118 -4.027 -7.789 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.432 -1.460 -7.244 1.00 0.00 C ATOM 0 H ILE A 45 -3.790 -1.917 -10.938 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.532 -3.385 -8.934 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.469 -3.001 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.368 -0.907 -9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.487 -1.335 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -6.023 -3.664 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.317 -4.995 -8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.324 -4.132 -7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.411 -0.432 -6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.611 -2.136 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.475 -1.701 -7.707 1.00 0.00 H new ATOM 749 N ILE A 46 -4.303 -5.156 -11.118 1.00 0.00 N ATOM 750 CA ILE A 46 -4.604 -6.485 -11.648 1.00 0.00 C ATOM 751 C ILE A 46 -3.339 -7.310 -11.893 1.00 0.00 C ATOM 752 O ILE A 46 -3.247 -8.435 -11.408 1.00 0.00 O ATOM 753 CB ILE A 46 -5.452 -6.419 -12.961 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.794 -5.717 -12.695 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.687 -7.822 -13.536 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.682 -5.578 -13.918 1.00 0.00 C ATOM 0 H ILE A 46 -4.745 -4.399 -11.640 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.196 -6.982 -10.879 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.893 -5.841 -13.697 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.335 -6.273 -11.929 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.597 -4.725 -12.289 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.279 -7.747 -14.448 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.728 -8.287 -13.763 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.221 -8.430 -12.806 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.607 -5.072 -13.641 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.164 -4.995 -14.679 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.914 -6.567 -14.314 1.00 0.00 H new ATOM 768 N TYR A 47 -2.348 -6.729 -12.585 1.00 0.00 N ATOM 769 CA TYR A 47 -1.131 -7.480 -12.937 1.00 0.00 C ATOM 770 C TYR A 47 -0.412 -7.944 -11.694 1.00 0.00 C ATOM 771 O TYR A 47 -0.174 -9.127 -11.500 1.00 0.00 O ATOM 772 CB TYR A 47 -0.124 -6.628 -13.706 1.00 0.00 C ATOM 773 CG TYR A 47 -0.638 -5.906 -14.902 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.159 -6.583 -15.988 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.581 -4.531 -14.949 1.00 0.00 C ATOM 776 CE1 TYR A 47 -1.614 -5.897 -17.087 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.026 -3.840 -16.037 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.542 -4.525 -17.109 1.00 0.00 C ATOM 779 OH TYR A 47 -1.975 -3.834 -18.214 1.00 0.00 O ATOM 0 H TYR A 47 -2.361 -5.761 -12.907 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.471 -8.314 -13.550 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.296 -5.893 -13.019 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.696 -7.273 -14.023 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.209 -7.662 -15.972 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.176 -3.989 -14.107 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.026 -6.433 -17.929 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.973 -2.761 -16.055 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.856 -2.873 -18.066 1.00 0.00 H new ATOM 789 N VAL A 48 -0.141 -6.996 -10.834 1.00 0.00 N ATOM 790 CA VAL A 48 0.669 -7.200 -9.661 1.00 0.00 C ATOM 791 C VAL A 48 -0.004 -8.125 -8.662 1.00 0.00 C ATOM 792 O VAL A 48 0.633 -9.031 -8.116 1.00 0.00 O ATOM 793 CB VAL A 48 1.010 -5.842 -9.015 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.915 -6.005 -7.799 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.652 -4.935 -10.055 1.00 0.00 C ATOM 0 H VAL A 48 -0.485 -6.041 -10.932 1.00 0.00 H new ATOM 0 HA VAL A 48 1.594 -7.687 -9.970 1.00 0.00 H new ATOM 0 HB VAL A 48 0.086 -5.386 -8.660 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.132 -5.025 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.415 -6.622 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.847 -6.484 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.894 -3.974 -9.600 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.564 -5.399 -10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.958 -4.781 -10.881 1.00 0.00 H new ATOM 805 N TYR A 49 -1.281 -7.932 -8.458 1.00 0.00 N ATOM 806 CA TYR A 49 -2.023 -8.731 -7.521 1.00 0.00 C ATOM 807 C TYR A 49 -2.214 -10.150 -8.030 1.00 0.00 C ATOM 808 O TYR A 49 -2.099 -11.091 -7.266 1.00 0.00 O ATOM 809 CB TYR A 49 -3.353 -8.059 -7.127 1.00 0.00 C ATOM 810 CG TYR A 49 -3.188 -6.847 -6.199 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.187 -5.898 -6.408 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.020 -6.672 -5.101 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.027 -4.824 -5.569 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.863 -5.593 -4.250 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.863 -4.671 -4.492 1.00 0.00 C ATOM 816 OH TYR A 49 -2.696 -3.597 -3.651 1.00 0.00 O ATOM 0 H TYR A 49 -1.833 -7.219 -8.935 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.433 -8.803 -6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.871 -7.743 -8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.989 -8.796 -6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.522 -6.011 -7.251 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.803 -7.391 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.246 -4.102 -5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.519 -5.472 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.329 -2.841 -4.155 1.00 0.00 H new ATOM 826 N SER A 50 -2.433 -10.300 -9.329 1.00 0.00 N ATOM 827 CA SER A 50 -2.588 -11.615 -9.923 1.00 0.00 C ATOM 828 C SER A 50 -1.224 -12.320 -9.990 1.00 0.00 C ATOM 829 O SER A 50 -1.125 -13.544 -9.890 1.00 0.00 O ATOM 830 CB SER A 50 -3.227 -11.498 -11.326 1.00 0.00 C ATOM 831 OG SER A 50 -3.451 -12.769 -11.929 1.00 0.00 O ATOM 0 H SER A 50 -2.507 -9.526 -9.989 1.00 0.00 H new ATOM 0 HA SER A 50 -3.254 -12.214 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.174 -10.964 -11.247 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.578 -10.903 -11.969 1.00 0.00 H new ATOM 0 HG SER A 50 -3.857 -12.645 -12.812 1.00 0.00 H new ATOM 837 N SER A 51 -0.178 -11.549 -10.150 1.00 0.00 N ATOM 838 CA SER A 51 1.149 -12.093 -10.216 1.00 0.00 C ATOM 839 C SER A 51 1.598 -12.544 -8.818 1.00 0.00 C ATOM 840 O SER A 51 2.117 -13.642 -8.645 1.00 0.00 O ATOM 841 CB SER A 51 2.116 -11.044 -10.798 1.00 0.00 C ATOM 842 OG SER A 51 3.402 -11.582 -11.077 1.00 0.00 O ATOM 0 H SER A 51 -0.224 -10.534 -10.237 1.00 0.00 H new ATOM 0 HA SER A 51 1.154 -12.963 -10.873 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.692 -10.633 -11.714 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.217 -10.218 -10.094 1.00 0.00 H new ATOM 0 HG SER A 51 3.978 -10.880 -11.445 1.00 0.00 H new ATOM 848 N HIS A 52 1.333 -11.720 -7.827 1.00 0.00 N ATOM 849 CA HIS A 52 1.767 -11.977 -6.460 1.00 0.00 C ATOM 850 C HIS A 52 0.607 -12.471 -5.603 1.00 0.00 C ATOM 851 O HIS A 52 0.556 -12.163 -4.407 1.00 0.00 O ATOM 852 CB HIS A 52 2.348 -10.694 -5.822 1.00 0.00 C ATOM 853 CG HIS A 52 3.609 -10.159 -6.449 1.00 0.00 C ATOM 854 ND1 HIS A 52 4.862 -10.351 -5.905 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.796 -9.381 -7.540 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.759 -9.710 -6.636 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.135 -9.116 -7.631 1.00 0.00 N ATOM 0 H HIS A 52 0.811 -10.851 -7.941 1.00 0.00 H new ATOM 0 HA HIS A 52 2.538 -12.747 -6.501 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.587 -9.915 -5.862 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.545 -10.893 -4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.029 -9.033 -8.215 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.822 -9.679 -6.448 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.578 -8.549 -8.354 1.00 0.00 H new ATOM 866 N LEU A 53 -0.275 -13.294 -6.197 1.00 0.00 N ATOM 867 CA LEU A 53 -1.491 -13.827 -5.518 1.00 0.00 C ATOM 868 C LEU A 53 -1.207 -14.373 -4.138 1.00 0.00 C ATOM 869 O LEU A 53 -1.973 -14.126 -3.201 1.00 0.00 O ATOM 870 CB LEU A 53 -2.159 -14.932 -6.343 1.00 0.00 C ATOM 871 CG LEU A 53 -2.889 -14.503 -7.606 1.00 0.00 C ATOM 872 CD1 LEU A 53 -3.318 -15.719 -8.402 1.00 0.00 C ATOM 873 CD2 LEU A 53 -4.104 -13.652 -7.262 1.00 0.00 C ATOM 0 H LEU A 53 -0.174 -13.614 -7.160 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.160 -12.972 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.394 -15.656 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.870 -15.452 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.206 -13.905 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.840 -15.398 -9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.439 -16.301 -8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.984 -16.334 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.612 -13.356 -8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.787 -14.229 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.783 -12.762 -6.721 1.00 0.00 H new ATOM 885 N ASP A 54 -0.103 -15.087 -4.009 1.00 0.00 N ATOM 886 CA ASP A 54 0.279 -15.690 -2.738 1.00 0.00 C ATOM 887 C ASP A 54 0.411 -14.663 -1.626 1.00 0.00 C ATOM 888 O ASP A 54 -0.080 -14.878 -0.502 1.00 0.00 O ATOM 889 CB ASP A 54 1.569 -16.501 -2.846 1.00 0.00 C ATOM 890 CG ASP A 54 2.007 -17.024 -1.491 1.00 0.00 C ATOM 891 OD1 ASP A 54 1.349 -17.933 -0.944 1.00 0.00 O ATOM 892 OD2 ASP A 54 2.984 -16.493 -0.916 1.00 0.00 O ATOM 0 H ASP A 54 0.550 -15.266 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.534 -16.369 -2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.419 -17.337 -3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.357 -15.879 -3.270 1.00 0.00 H new ATOM 897 N GLU A 55 1.082 -13.574 -1.899 1.00 0.00 N ATOM 898 CA GLU A 55 1.230 -12.563 -0.895 1.00 0.00 C ATOM 899 C GLU A 55 -0.066 -11.781 -0.700 1.00 0.00 C ATOM 900 O GLU A 55 -0.403 -11.391 0.414 1.00 0.00 O ATOM 901 CB GLU A 55 2.399 -11.635 -1.157 1.00 0.00 C ATOM 902 CG GLU A 55 2.829 -10.890 0.099 1.00 0.00 C ATOM 903 CD GLU A 55 3.436 -11.823 1.163 1.00 0.00 C ATOM 904 OE1 GLU A 55 2.945 -12.964 1.368 1.00 0.00 O ATOM 905 OE2 GLU A 55 4.458 -11.459 1.775 1.00 0.00 O ATOM 0 H GLU A 55 1.527 -13.370 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 55 1.456 -13.085 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.240 -12.211 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.125 -10.916 -1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.559 -10.126 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.968 -10.373 0.523 1.00 0.00 H new ATOM 912 N ILE A 56 -0.803 -11.591 -1.782 1.00 0.00 N ATOM 913 CA ILE A 56 -2.061 -10.846 -1.736 1.00 0.00 C ATOM 914 C ILE A 56 -3.051 -11.542 -0.807 1.00 0.00 C ATOM 915 O ILE A 56 -3.662 -10.912 0.037 1.00 0.00 O ATOM 916 CB ILE A 56 -2.695 -10.681 -3.148 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.704 -10.023 -4.125 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.997 -9.877 -3.084 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.169 -8.669 -3.691 1.00 0.00 C ATOM 0 H ILE A 56 -0.555 -11.941 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.834 -9.851 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.932 -11.678 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.861 -10.698 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.194 -9.909 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.414 -9.780 -4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.711 -10.392 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.793 -8.886 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.480 -8.291 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.998 -7.971 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.645 -8.772 -2.741 1.00 0.00 H new ATOM 931 N ARG A 57 -3.154 -12.851 -0.943 1.00 0.00 N ATOM 932 CA ARG A 57 -4.054 -13.641 -0.104 1.00 0.00 C ATOM 933 C ARG A 57 -3.518 -13.735 1.333 1.00 0.00 C ATOM 934 O ARG A 57 -4.276 -13.963 2.270 1.00 0.00 O ATOM 935 CB ARG A 57 -4.252 -15.053 -0.691 1.00 0.00 C ATOM 936 CG ARG A 57 -2.982 -15.879 -0.713 1.00 0.00 C ATOM 937 CD ARG A 57 -3.157 -17.221 -1.383 1.00 0.00 C ATOM 938 NE ARG A 57 -1.890 -17.961 -1.401 1.00 0.00 N ATOM 939 CZ ARG A 57 -1.651 -19.083 -2.086 1.00 0.00 C ATOM 940 NH1 ARG A 57 -2.605 -19.646 -2.822 1.00 0.00 N ATOM 941 NH2 ARG A 57 -0.440 -19.614 -2.050 1.00 0.00 N ATOM 0 H ARG A 57 -2.627 -13.396 -1.626 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.020 -13.136 -0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.008 -15.578 -0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.637 -14.965 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.202 -15.321 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.638 -16.033 0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.915 -17.800 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.516 -17.080 -2.402 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.124 -17.586 -0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.531 -19.221 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.410 -20.503 -3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.297 -19.167 -1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.243 -20.470 -2.568 1.00 0.00 H new ATOM 955 N LYS A 58 -2.207 -13.548 1.490 1.00 0.00 N ATOM 956 CA LYS A 58 -1.551 -13.635 2.791 1.00 0.00 C ATOM 957 C LYS A 58 -2.009 -12.459 3.643 1.00 0.00 C ATOM 958 O LYS A 58 -2.513 -12.618 4.756 1.00 0.00 O ATOM 959 CB LYS A 58 -0.028 -13.528 2.611 1.00 0.00 C ATOM 960 CG LYS A 58 0.807 -14.048 3.779 1.00 0.00 C ATOM 961 CD LYS A 58 0.965 -15.573 3.723 1.00 0.00 C ATOM 962 CE LYS A 58 2.095 -16.038 2.757 1.00 0.00 C ATOM 963 NZ LYS A 58 1.994 -15.480 1.377 1.00 0.00 N ATOM 0 H LYS A 58 -1.573 -13.333 0.720 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.804 -14.584 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.254 -14.076 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.228 -12.482 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.791 -13.579 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.335 -13.764 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.176 -15.947 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.021 -16.018 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.058 -15.754 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.081 -17.126 2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.674 -15.964 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.030 -15.625 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.207 -14.462 1.398 1.00 0.00 H new ATOM 977 N ASN A 59 -1.868 -11.291 3.081 1.00 0.00 N ATOM 978 CA ASN A 59 -2.167 -10.042 3.758 1.00 0.00 C ATOM 979 C ASN A 59 -3.373 -9.425 3.077 1.00 0.00 C ATOM 980 O ASN A 59 -3.351 -8.255 2.691 1.00 0.00 O ATOM 981 CB ASN A 59 -0.973 -9.084 3.596 1.00 0.00 C ATOM 982 CG ASN A 59 0.368 -9.642 4.049 1.00 0.00 C ATOM 983 OD1 ASN A 59 1.380 -9.476 3.376 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.404 -10.181 5.214 1.00 0.00 N ATOM 0 H ASN A 59 -1.537 -11.169 2.124 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.360 -10.217 4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.895 -8.800 2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.179 -8.173 4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.294 -10.487 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.458 -10.304 5.746 1.00 0.00 H new ATOM 991 N LYS A 60 -4.440 -10.200 2.951 1.00 0.00 N ATOM 992 CA LYS A 60 -5.608 -9.765 2.182 1.00 0.00 C ATOM 993 C LYS A 60 -6.255 -8.496 2.732 1.00 0.00 C ATOM 994 O LYS A 60 -6.781 -7.702 1.969 1.00 0.00 O ATOM 995 CB LYS A 60 -6.651 -10.879 1.997 1.00 0.00 C ATOM 996 CG LYS A 60 -7.412 -11.290 3.245 1.00 0.00 C ATOM 997 CD LYS A 60 -8.450 -12.352 2.908 1.00 0.00 C ATOM 998 CE LYS A 60 -9.411 -12.629 4.061 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.294 -11.478 4.364 1.00 0.00 N ATOM 0 H LYS A 60 -4.526 -11.128 3.366 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.215 -9.519 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.371 -10.554 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.147 -11.759 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.718 -11.675 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.901 -10.420 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.020 -12.032 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.941 -13.277 2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.024 -13.496 3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.838 -12.885 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.186 -11.823 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.823 -10.849 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.493 -10.953 3.488 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.190 -8.295 4.045 1.00 0.00 N ATOM 1014 CA GLU A 61 -6.746 -7.109 4.649 1.00 0.00 C ATOM 1015 C GLU A 61 -5.962 -5.901 4.196 1.00 0.00 C ATOM 1016 O GLU A 61 -6.528 -4.887 3.768 1.00 0.00 O ATOM 1017 CB GLU A 61 -6.674 -7.194 6.162 1.00 0.00 C ATOM 1018 CG GLU A 61 -7.375 -8.384 6.759 1.00 0.00 C ATOM 1019 CD GLU A 61 -8.803 -8.459 6.332 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -9.564 -7.506 6.596 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -9.184 -9.464 5.695 1.00 0.00 O ATOM 0 H GLU A 61 -5.756 -8.943 4.703 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.789 -7.023 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.626 -7.219 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.105 -6.286 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.859 -9.297 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.323 -8.328 7.846 1.00 0.00 H new ATOM 1028 N PHE A 62 -4.661 -6.038 4.277 1.00 0.00 N ATOM 1029 CA PHE A 62 -3.739 -5.011 3.904 1.00 0.00 C ATOM 1030 C PHE A 62 -3.858 -4.693 2.415 1.00 0.00 C ATOM 1031 O PHE A 62 -4.069 -3.540 2.042 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.313 -5.455 4.260 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.250 -4.480 3.878 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.039 -3.348 4.630 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.463 -4.698 2.763 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.070 -2.445 4.281 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.511 -3.799 2.409 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.708 -2.670 3.168 1.00 0.00 C ATOM 0 H PHE A 62 -4.211 -6.889 4.613 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.974 -4.100 4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.258 -5.631 5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.109 -6.407 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.645 -3.169 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.616 -5.584 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.083 -1.558 4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.121 -3.978 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.473 -1.960 2.891 1.00 0.00 H new ATOM 1048 N TYR A 63 -3.794 -5.722 1.580 1.00 0.00 N ATOM 1049 CA TYR A 63 -3.828 -5.539 0.139 1.00 0.00 C ATOM 1050 C TYR A 63 -5.178 -5.063 -0.381 1.00 0.00 C ATOM 1051 O TYR A 63 -5.243 -4.400 -1.408 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.286 -6.759 -0.624 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.787 -6.955 -0.422 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -0.869 -6.124 -1.054 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.298 -7.947 0.404 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.493 -6.283 -0.860 1.00 0.00 C ATOM 1057 CE2 TYR A 63 0.065 -8.116 0.604 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.953 -7.280 -0.030 1.00 0.00 C ATOM 1059 OH TYR A 63 2.308 -7.437 0.170 1.00 0.00 O ATOM 0 H TYR A 63 -3.718 -6.694 1.879 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.139 -4.720 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.814 -7.654 -0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.494 -6.640 -1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.224 -5.341 -1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.991 -8.606 0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.192 -5.627 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.426 -8.900 1.254 1.00 0.00 H new ATOM 0 HH TYR A 63 2.464 -8.185 0.784 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.255 -5.366 0.326 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.562 -4.839 -0.074 1.00 0.00 C ATOM 1071 C ASP A 64 -7.631 -3.354 0.201 1.00 0.00 C ATOM 1072 O ASP A 64 -7.952 -2.550 -0.694 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.727 -5.536 0.638 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.064 -4.879 0.316 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.663 -5.181 -0.753 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.538 -4.034 1.103 1.00 0.00 O ATOM 0 H ASP A 64 -6.260 -5.957 1.158 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.663 -5.034 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.757 -6.585 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.561 -5.512 1.715 1.00 0.00 H new ATOM 1081 N MET A 65 -7.280 -2.989 1.419 1.00 0.00 N ATOM 1082 CA MET A 65 -7.359 -1.611 1.854 1.00 0.00 C ATOM 1083 C MET A 65 -6.398 -0.718 1.118 1.00 0.00 C ATOM 1084 O MET A 65 -6.785 0.372 0.686 1.00 0.00 O ATOM 1085 CB MET A 65 -7.200 -1.479 3.370 1.00 0.00 C ATOM 1086 CG MET A 65 -8.349 -2.110 4.130 1.00 0.00 C ATOM 1087 SD MET A 65 -8.264 -1.894 5.926 1.00 0.00 S ATOM 1088 CE MET A 65 -6.764 -2.779 6.313 1.00 0.00 C ATOM 0 H MET A 65 -6.935 -3.635 2.129 1.00 0.00 H new ATOM 0 HA MET A 65 -8.362 -1.268 1.601 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.265 -1.948 3.676 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.129 -0.424 3.634 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.285 -1.684 3.769 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.376 -3.176 3.905 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.170 -2.197 7.017 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.014 -3.742 6.758 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.190 -2.939 5.400 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.158 -1.168 0.921 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.211 -0.336 0.210 1.00 0.00 C ATOM 1100 C ILE A 66 -4.625 -0.146 -1.232 1.00 0.00 C ATOM 1101 O ILE A 66 -4.575 0.950 -1.713 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.720 -0.775 0.285 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.492 -2.149 -0.337 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.239 -0.758 1.723 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.034 -2.487 -0.537 1.00 0.00 C ATOM 0 H ILE A 66 -4.803 -2.072 1.234 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.250 0.612 0.747 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.140 -0.058 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.948 -2.907 0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.002 -2.192 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.194 -1.067 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.334 0.250 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.842 -1.445 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.948 -3.478 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.577 -1.751 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.523 -2.477 0.426 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.101 -1.213 -1.895 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.536 -1.130 -3.300 1.00 0.00 C ATOM 1119 C ALA A 67 -6.597 -0.074 -3.473 1.00 0.00 C ATOM 1120 O ALA A 67 -6.591 0.663 -4.462 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.051 -2.468 -3.795 1.00 0.00 C ATOM 0 H ALA A 67 -5.194 -2.141 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.666 -0.854 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.365 -2.375 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.259 -3.213 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.900 -2.779 -3.186 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.494 0.019 -2.508 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.518 1.029 -2.534 1.00 0.00 C ATOM 1129 C GLU A 68 -7.854 2.409 -2.434 1.00 0.00 C ATOM 1130 O GLU A 68 -7.974 3.228 -3.341 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.475 0.829 -1.355 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.657 1.779 -1.350 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.621 1.507 -2.478 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -11.411 1.995 -3.611 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -12.603 0.786 -2.262 1.00 0.00 O ATOM 0 H GLU A 68 -7.528 -0.598 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.084 0.957 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.846 -0.196 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.920 0.952 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.183 1.695 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.295 2.804 -1.425 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.077 2.589 -1.365 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.382 3.846 -1.043 1.00 0.00 C ATOM 1144 C ILE A 69 -5.462 4.317 -2.179 1.00 0.00 C ATOM 1145 O ILE A 69 -5.468 5.488 -2.529 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.566 3.697 0.276 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.513 3.416 1.446 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -4.716 4.939 0.562 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -5.808 3.102 2.742 1.00 0.00 C ATOM 0 H ILE A 69 -6.907 1.852 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.152 4.606 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.883 2.856 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.157 4.282 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.160 2.579 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.162 4.795 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.015 5.097 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.365 5.810 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.546 2.915 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.185 2.217 2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.182 3.947 3.030 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.707 3.398 -2.747 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.769 3.681 -3.831 1.00 0.00 C ATOM 1163 C LEU A 70 -4.449 4.375 -5.000 1.00 0.00 C ATOM 1164 O LEU A 70 -4.013 5.418 -5.438 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.087 2.386 -4.288 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.198 1.709 -3.235 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.786 0.326 -3.683 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -0.977 2.555 -2.937 1.00 0.00 C ATOM 0 H LEU A 70 -4.723 2.417 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.011 4.365 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.856 1.679 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.480 2.604 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.781 1.611 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.157 -0.132 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.674 -0.287 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.229 0.397 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.362 2.055 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.398 2.692 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.292 3.527 -2.558 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.544 3.819 -5.452 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.285 4.377 -6.581 1.00 0.00 C ATOM 1182 C GLN A 71 -6.961 5.698 -6.164 1.00 0.00 C ATOM 1183 O GLN A 71 -6.851 6.742 -6.844 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.327 3.346 -7.034 1.00 0.00 C ATOM 1185 CG GLN A 71 -6.726 2.004 -7.476 1.00 0.00 C ATOM 1186 CD GLN A 71 -7.769 0.942 -7.721 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -8.285 0.807 -8.808 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.072 0.171 -6.712 1.00 0.00 N ATOM 0 H GLN A 71 -5.954 2.972 -5.059 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.610 4.595 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.026 3.168 -6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.902 3.765 -7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.148 2.154 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.032 1.654 -6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.619 0.311 -5.809 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.762 -0.572 -6.827 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.570 5.629 -5.006 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.350 6.684 -4.369 1.00 0.00 C ATOM 1199 C ARG A 72 -7.510 7.954 -4.165 1.00 0.00 C ATOM 1200 O ARG A 72 -7.947 9.066 -4.464 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.781 6.089 -3.033 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.854 6.767 -2.220 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.267 5.772 -1.134 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.371 6.195 -0.285 1.00 0.00 N ATOM 1205 CZ ARG A 72 -12.656 5.913 -0.503 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -13.071 5.491 -1.687 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -13.514 6.069 0.477 1.00 0.00 N ATOM 0 H ARG A 72 -7.537 4.782 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.201 6.989 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.114 5.069 -3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.892 6.022 -2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.481 7.691 -1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.705 7.034 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.539 4.831 -1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.402 5.570 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.144 6.750 0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.404 5.377 -2.450 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.058 5.280 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.194 6.401 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.501 5.858 0.329 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.308 7.785 -3.681 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.452 8.904 -3.400 1.00 0.00 C ATOM 1223 C TYR A 73 -4.503 9.244 -4.534 1.00 0.00 C ATOM 1224 O TYR A 73 -3.957 10.347 -4.554 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.699 8.727 -2.085 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.551 8.920 -0.850 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.454 7.953 -0.429 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.441 10.079 -0.101 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.221 8.141 0.702 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.201 10.272 1.029 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.088 9.305 1.425 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.842 9.501 2.546 1.00 0.00 O ATOM 0 H TYR A 73 -5.898 6.875 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.119 9.760 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.265 7.728 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.871 9.435 -2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.557 7.040 -0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.746 10.846 -0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.920 7.381 1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.099 11.182 1.602 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.625 10.373 2.938 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.297 8.340 -5.489 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.410 8.658 -6.608 1.00 0.00 C ATOM 1244 C TYR A 74 -4.001 9.784 -7.437 1.00 0.00 C ATOM 1245 O TYR A 74 -3.279 10.629 -7.945 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.041 7.409 -7.469 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.432 7.467 -8.940 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.623 8.103 -9.889 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.611 6.900 -9.371 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -3.002 8.166 -11.218 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.984 6.953 -10.689 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.186 7.586 -11.609 1.00 0.00 C ATOM 1253 OH TYR A 74 -4.594 7.655 -12.929 1.00 0.00 O ATOM 0 H TYR A 74 -4.716 7.410 -5.514 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.463 9.002 -6.193 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.964 7.256 -7.407 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.514 6.534 -7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.690 8.551 -9.579 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.253 6.405 -8.658 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.374 8.666 -11.941 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.910 6.495 -11.005 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.838 6.759 -13.243 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.322 9.814 -7.528 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.003 10.886 -8.250 1.00 0.00 C ATOM 1265 C LYS A 75 -5.853 12.240 -7.521 1.00 0.00 C ATOM 1266 O LYS A 75 -5.885 13.302 -8.147 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.495 10.561 -8.440 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.806 9.376 -9.361 1.00 0.00 C ATOM 1269 CD LYS A 75 -7.358 9.641 -10.796 1.00 0.00 C ATOM 1270 CE LYS A 75 -7.837 8.549 -11.748 1.00 0.00 C ATOM 1271 NZ LYS A 75 -7.303 8.733 -13.114 1.00 0.00 N ATOM 0 H LYS A 75 -5.942 9.117 -7.116 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.531 10.966 -9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.932 10.361 -7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.993 11.446 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.309 8.482 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.877 9.175 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.744 10.606 -11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.270 9.704 -10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.530 7.575 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.926 8.549 -11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.891 8.206 -13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.316 9.744 -13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.326 8.379 -13.155 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.649 12.191 -6.216 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.601 13.404 -5.401 1.00 0.00 C ATOM 1287 C LYS A 76 -4.163 13.877 -5.080 1.00 0.00 C ATOM 1288 O LYS A 76 -3.853 15.061 -5.222 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.444 13.215 -4.117 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.420 14.400 -3.140 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.415 14.224 -1.981 1.00 0.00 C ATOM 1292 CE LYS A 76 -7.227 12.897 -1.257 1.00 0.00 C ATOM 1293 NZ LYS A 76 -8.127 12.742 -0.088 1.00 0.00 N ATOM 0 H LYS A 76 -5.513 11.326 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.038 14.206 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.478 13.023 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.088 12.327 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.414 14.515 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.654 15.317 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.293 15.043 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.433 14.285 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.404 12.080 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.192 12.814 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.039 11.778 0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.863 13.429 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.110 12.910 -0.382 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.297 12.974 -4.642 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.931 13.373 -4.265 1.00 0.00 C ATOM 1309 C ILE A 77 -0.859 12.745 -5.160 1.00 0.00 C ATOM 1310 O ILE A 77 0.270 13.230 -5.219 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.606 13.091 -2.765 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.776 11.600 -2.429 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.475 13.960 -1.855 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.394 11.234 -1.008 1.00 0.00 C ATOM 0 H ILE A 77 -3.500 11.980 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.907 14.452 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.562 13.351 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.815 11.318 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.170 11.013 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.234 13.750 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.284 15.012 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.527 13.738 -2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.544 10.165 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.346 11.482 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.017 11.791 -0.309 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.195 11.665 -5.825 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.252 11.027 -6.735 1.00 0.00 C ATOM 1328 C GLY A 78 0.195 9.697 -6.201 1.00 0.00 C ATOM 1329 O GLY A 78 0.399 9.567 -4.993 1.00 0.00 O ATOM 0 H GLY A 78 -2.104 11.207 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.717 10.893 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.613 11.674 -6.880 1.00 0.00 H new ATOM 1333 N ILE A 79 0.371 8.716 -7.082 1.00 0.00 N ATOM 1334 CA ILE A 79 0.698 7.355 -6.660 1.00 0.00 C ATOM 1335 C ILE A 79 2.046 7.300 -5.928 1.00 0.00 C ATOM 1336 O ILE A 79 2.174 6.595 -4.930 1.00 0.00 O ATOM 1337 CB ILE A 79 0.636 6.304 -7.839 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.798 4.873 -7.319 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.678 6.584 -8.913 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.280 4.437 -6.346 1.00 0.00 C ATOM 0 H ILE A 79 0.293 8.837 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.080 7.064 -5.955 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.351 6.406 -8.291 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.803 4.189 -8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.769 4.784 -6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.597 5.836 -9.702 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.510 7.575 -9.334 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.674 6.541 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.090 3.412 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.273 5.095 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.253 4.490 -6.834 1.00 0.00 H new ATOM 1352 N GLU A 80 3.014 8.106 -6.396 1.00 0.00 N ATOM 1353 CA GLU A 80 4.350 8.193 -5.790 1.00 0.00 C ATOM 1354 C GLU A 80 4.214 8.482 -4.304 1.00 0.00 C ATOM 1355 O GLU A 80 4.808 7.808 -3.449 1.00 0.00 O ATOM 1356 CB GLU A 80 5.188 9.344 -6.399 1.00 0.00 C ATOM 1357 CG GLU A 80 5.252 9.419 -7.920 1.00 0.00 C ATOM 1358 CD GLU A 80 4.023 10.064 -8.532 1.00 0.00 C ATOM 1359 OE1 GLU A 80 3.046 9.369 -8.812 1.00 0.00 O ATOM 1360 OE2 GLU A 80 4.025 11.281 -8.741 1.00 0.00 O ATOM 0 H GLU A 80 2.891 8.715 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 80 4.848 7.242 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.788 10.288 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.207 9.260 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.137 9.984 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.367 8.413 -8.324 1.00 0.00 H new ATOM 1367 N ASN A 81 3.387 9.464 -4.029 1.00 0.00 N ATOM 1368 CA ASN A 81 3.114 9.944 -2.688 1.00 0.00 C ATOM 1369 C ASN A 81 2.364 8.927 -1.859 1.00 0.00 C ATOM 1370 O ASN A 81 2.710 8.700 -0.701 1.00 0.00 O ATOM 1371 CB ASN A 81 2.360 11.287 -2.739 1.00 0.00 C ATOM 1372 CG ASN A 81 3.265 12.448 -3.120 1.00 0.00 C ATOM 1373 OD1 ASN A 81 4.449 12.454 -2.802 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.733 13.419 -3.816 1.00 0.00 N ATOM 0 H ASN A 81 2.870 9.967 -4.750 1.00 0.00 H new ATOM 0 HA ASN A 81 4.073 10.103 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.544 11.215 -3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.910 11.485 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.307 14.210 -4.110 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.745 13.386 -4.065 1.00 0.00 H new ATOM 1381 N VAL A 82 1.365 8.283 -2.451 1.00 0.00 N ATOM 1382 CA VAL A 82 0.561 7.306 -1.714 1.00 0.00 C ATOM 1383 C VAL A 82 1.416 6.108 -1.319 1.00 0.00 C ATOM 1384 O VAL A 82 1.394 5.682 -0.168 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.671 6.797 -2.503 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.579 5.983 -1.592 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.438 7.937 -3.119 1.00 0.00 C ATOM 0 H VAL A 82 1.092 8.414 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 82 0.193 7.830 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.312 6.160 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.441 5.631 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.029 5.128 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.918 6.607 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.296 7.545 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.784 8.609 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.790 8.483 -3.805 1.00 0.00 H new ATOM 1397 N ASN A 83 2.200 5.612 -2.270 1.00 0.00 N ATOM 1398 CA ASN A 83 3.089 4.459 -2.049 1.00 0.00 C ATOM 1399 C ASN A 83 4.040 4.717 -0.898 1.00 0.00 C ATOM 1400 O ASN A 83 4.249 3.863 -0.032 1.00 0.00 O ATOM 1401 CB ASN A 83 3.895 4.120 -3.316 1.00 0.00 C ATOM 1402 CG ASN A 83 3.059 3.520 -4.427 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.067 2.860 -4.182 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.447 3.737 -5.653 1.00 0.00 N ATOM 0 H ASN A 83 2.243 5.991 -3.216 1.00 0.00 H new ATOM 0 HA ASN A 83 2.454 3.609 -1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.375 5.027 -3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.690 3.422 -3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.915 3.350 -6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.283 4.294 -5.833 1.00 0.00 H new ATOM 1411 N GLN A 84 4.576 5.915 -0.870 1.00 0.00 N ATOM 1412 CA GLN A 84 5.503 6.329 0.164 1.00 0.00 C ATOM 1413 C GLN A 84 4.762 6.333 1.518 1.00 0.00 C ATOM 1414 O GLN A 84 5.255 5.798 2.521 1.00 0.00 O ATOM 1415 CB GLN A 84 6.039 7.735 -0.176 1.00 0.00 C ATOM 1416 CG GLN A 84 7.362 8.156 0.494 1.00 0.00 C ATOM 1417 CD GLN A 84 7.343 8.151 2.009 1.00 0.00 C ATOM 1418 OE1 GLN A 84 6.972 9.133 2.636 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.818 7.082 2.607 1.00 0.00 N ATOM 0 H GLN A 84 4.382 6.635 -1.566 1.00 0.00 H new ATOM 0 HA GLN A 84 6.347 5.642 0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.171 7.796 -1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.275 8.464 0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.153 7.488 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.622 9.158 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.119 6.280 2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.886 7.055 3.624 1.00 0.00 H new ATOM 1428 N LEU A 85 3.567 6.893 1.532 1.00 0.00 N ATOM 1429 CA LEU A 85 2.771 6.960 2.750 1.00 0.00 C ATOM 1430 C LEU A 85 2.404 5.568 3.260 1.00 0.00 C ATOM 1431 O LEU A 85 2.409 5.332 4.467 1.00 0.00 O ATOM 1432 CB LEU A 85 1.525 7.826 2.559 1.00 0.00 C ATOM 1433 CG LEU A 85 1.781 9.302 2.227 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.474 10.033 2.036 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.607 9.973 3.322 1.00 0.00 C ATOM 0 H LEU A 85 3.123 7.310 0.714 1.00 0.00 H new ATOM 0 HA LEU A 85 3.389 7.435 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.924 7.393 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.928 7.776 3.470 1.00 0.00 H new ATOM 0 HG LEU A 85 2.348 9.346 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.673 11.079 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.082 9.577 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.114 9.972 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.774 11.018 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.071 9.916 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.566 9.465 3.417 1.00 0.00 H new ATOM 1447 N ILE A 86 2.143 4.639 2.345 1.00 0.00 N ATOM 1448 CA ILE A 86 1.824 3.260 2.718 1.00 0.00 C ATOM 1449 C ILE A 86 3.038 2.617 3.402 1.00 0.00 C ATOM 1450 O ILE A 86 2.905 1.939 4.426 1.00 0.00 O ATOM 1451 CB ILE A 86 1.372 2.403 1.490 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.101 2.987 0.836 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.152 0.937 1.876 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.102 3.099 1.763 1.00 0.00 C ATOM 0 H ILE A 86 2.146 4.813 1.340 1.00 0.00 H new ATOM 0 HA ILE A 86 0.984 3.289 3.412 1.00 0.00 H new ATOM 0 HB ILE A 86 2.180 2.440 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.333 3.977 0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.171 2.364 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.839 0.373 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.081 0.519 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.379 0.874 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.946 3.519 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.368 2.110 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.855 3.749 2.603 1.00 0.00 H new ATOM 1466 N LEU A 87 4.224 2.889 2.865 1.00 0.00 N ATOM 1467 CA LEU A 87 5.471 2.402 3.458 1.00 0.00 C ATOM 1468 C LEU A 87 5.659 2.977 4.854 1.00 0.00 C ATOM 1469 O LEU A 87 6.084 2.295 5.768 1.00 0.00 O ATOM 1470 CB LEU A 87 6.671 2.747 2.575 1.00 0.00 C ATOM 1471 CG LEU A 87 6.703 2.069 1.211 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.925 2.494 0.428 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.684 0.563 1.371 1.00 0.00 C ATOM 0 H LEU A 87 4.350 3.445 2.019 1.00 0.00 H new ATOM 0 HA LEU A 87 5.405 1.317 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.690 3.826 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.582 2.484 3.113 1.00 0.00 H new ATOM 0 HG LEU A 87 5.816 2.376 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.926 1.997 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.906 3.574 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.824 2.217 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.707 0.092 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.555 0.247 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.776 0.264 1.895 1.00 0.00 H new ATOM 1485 N THR A 88 5.297 4.217 5.000 1.00 0.00 N ATOM 1486 CA THR A 88 5.355 4.914 6.264 1.00 0.00 C ATOM 1487 C THR A 88 4.365 4.274 7.286 1.00 0.00 C ATOM 1488 O THR A 88 4.633 4.209 8.490 1.00 0.00 O ATOM 1489 CB THR A 88 5.029 6.407 6.030 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.905 6.914 5.002 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.225 7.230 7.296 1.00 0.00 C ATOM 0 H THR A 88 4.945 4.789 4.233 1.00 0.00 H new ATOM 0 HA THR A 88 6.357 4.831 6.684 1.00 0.00 H new ATOM 0 HB THR A 88 3.984 6.488 5.732 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.597 6.601 4.126 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.986 8.274 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.568 6.854 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.262 7.152 7.624 1.00 0.00 H new ATOM 1499 N THR A 89 3.252 3.783 6.773 1.00 0.00 N ATOM 1500 CA THR A 89 2.200 3.171 7.573 1.00 0.00 C ATOM 1501 C THR A 89 2.630 1.787 8.110 1.00 0.00 C ATOM 1502 O THR A 89 2.227 1.372 9.211 1.00 0.00 O ATOM 1503 CB THR A 89 0.925 3.026 6.716 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.620 4.294 6.148 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.273 2.558 7.545 1.00 0.00 C ATOM 0 H THR A 89 3.048 3.797 5.774 1.00 0.00 H new ATOM 0 HA THR A 89 2.003 3.815 8.430 1.00 0.00 H new ATOM 0 HB THR A 89 1.114 2.277 5.947 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.255 4.595 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.148 2.470 6.902 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.051 1.588 7.990 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.474 3.282 8.334 1.00 0.00 H new ATOM 1513 N ILE A 90 3.451 1.087 7.356 1.00 0.00 N ATOM 1514 CA ILE A 90 3.887 -0.238 7.773 1.00 0.00 C ATOM 1515 C ILE A 90 5.190 -0.180 8.544 1.00 0.00 C ATOM 1516 O ILE A 90 5.640 -1.187 9.107 1.00 0.00 O ATOM 1517 CB ILE A 90 4.037 -1.217 6.584 1.00 0.00 C ATOM 1518 CG1 ILE A 90 5.099 -0.718 5.589 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.699 -1.390 5.902 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.357 -1.652 4.430 1.00 0.00 C ATOM 0 H ILE A 90 3.828 1.403 6.463 1.00 0.00 H new ATOM 0 HA ILE A 90 3.100 -0.616 8.426 1.00 0.00 H new ATOM 0 HB ILE A 90 4.372 -2.183 6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.786 0.250 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.034 -0.557 6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.804 -2.079 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.977 -1.791 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.350 -0.425 5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.118 -1.222 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.703 -2.614 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.436 -1.795 3.866 1.00 0.00 H new ATOM 1532 N LYS A 91 5.807 0.966 8.561 1.00 0.00 N ATOM 1533 CA LYS A 91 7.044 1.111 9.257 1.00 0.00 C ATOM 1534 C LYS A 91 6.890 1.737 10.608 1.00 0.00 C ATOM 1535 O LYS A 91 6.234 2.771 10.769 1.00 0.00 O ATOM 1536 CB LYS A 91 8.094 1.882 8.460 1.00 0.00 C ATOM 1537 CG LYS A 91 8.700 1.118 7.292 1.00 0.00 C ATOM 1538 CD LYS A 91 9.867 1.884 6.662 1.00 0.00 C ATOM 1539 CE LYS A 91 10.947 2.198 7.701 1.00 0.00 C ATOM 1540 NZ LYS A 91 12.162 2.800 7.119 1.00 0.00 N ATOM 0 H LYS A 91 5.471 1.811 8.100 1.00 0.00 H new ATOM 0 HA LYS A 91 7.396 0.088 9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.641 2.798 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.896 2.180 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.047 0.143 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.934 0.937 6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.298 1.295 5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.501 2.812 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.536 2.877 8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.219 1.279 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.852 2.988 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.576 2.144 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.915 3.693 6.646 1.00 0.00 H new ATOM 1554 N LEU A 92 7.452 1.079 11.587 1.00 0.00 N ATOM 1555 CA LEU A 92 7.613 1.668 12.885 1.00 0.00 C ATOM 1556 C LEU A 92 8.811 2.589 12.780 1.00 0.00 C ATOM 1557 O LEU A 92 9.770 2.254 12.062 1.00 0.00 O ATOM 1558 CB LEU A 92 7.831 0.609 13.991 1.00 0.00 C ATOM 1559 CG LEU A 92 6.604 -0.215 14.457 1.00 0.00 C ATOM 1560 CD1 LEU A 92 6.028 -1.094 13.354 1.00 0.00 C ATOM 1561 CD2 LEU A 92 6.973 -1.057 15.661 1.00 0.00 C ATOM 0 H LEU A 92 7.808 0.127 11.506 1.00 0.00 H new ATOM 0 HA LEU A 92 6.709 2.206 13.171 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.590 -0.090 13.640 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.244 1.116 14.863 1.00 0.00 H new ATOM 0 HG LEU A 92 5.825 0.497 14.729 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.171 -1.647 13.739 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.711 -0.469 12.519 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.789 -1.796 13.013 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.105 -1.633 15.982 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.782 -1.738 15.395 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.298 -0.407 16.474 1.00 0.00 H new ATOM 1573 N GLU A 93 8.762 3.702 13.480 1.00 0.00 N ATOM 1574 CA GLU A 93 9.746 4.782 13.384 1.00 0.00 C ATOM 1575 C GLU A 93 11.242 4.308 13.417 1.00 0.00 C ATOM 1576 O GLU A 93 11.868 4.193 12.358 1.00 0.00 O ATOM 1577 CB GLU A 93 9.337 5.929 14.370 1.00 0.00 C ATOM 1578 CG GLU A 93 10.313 7.074 14.614 1.00 0.00 C ATOM 1579 CD GLU A 93 11.275 6.776 15.733 1.00 0.00 C ATOM 1580 OE1 GLU A 93 10.923 5.989 16.644 1.00 0.00 O ATOM 1581 OE2 GLU A 93 12.389 7.331 15.741 1.00 0.00 O ATOM 0 H GLU A 93 8.020 3.895 14.153 1.00 0.00 H new ATOM 0 HA GLU A 93 9.718 5.212 12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.406 6.362 14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.118 5.472 15.335 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.873 7.272 13.700 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.755 7.980 14.849 1.00 0.00 H new ATOM 1588 N HIS A 94 11.810 4.027 14.574 1.00 0.00 N ATOM 1589 CA HIS A 94 13.204 3.524 14.622 1.00 0.00 C ATOM 1590 C HIS A 94 13.391 2.495 15.716 1.00 0.00 C ATOM 1591 O HIS A 94 14.485 1.968 15.899 1.00 0.00 O ATOM 1592 CB HIS A 94 14.257 4.654 14.781 1.00 0.00 C ATOM 1593 CG HIS A 94 14.369 5.596 13.610 1.00 0.00 C ATOM 1594 ND1 HIS A 94 13.845 6.860 13.624 1.00 0.00 N ATOM 1595 CD2 HIS A 94 14.947 5.449 12.392 1.00 0.00 C ATOM 1596 CE1 HIS A 94 14.083 7.456 12.478 1.00 0.00 C ATOM 1597 NE2 HIS A 94 14.752 6.623 11.711 1.00 0.00 N ATOM 0 H HIS A 94 11.357 4.129 15.482 1.00 0.00 H new ATOM 0 HA HIS A 94 13.373 3.052 13.654 1.00 0.00 H new ATOM 0 HB2 HIS A 94 14.013 5.234 15.671 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.232 4.198 14.955 1.00 0.00 H new ATOM 0 HD1 HIS A 94 13.344 7.277 14.408 1.00 0.00 H new ATOM 0 HD2 HIS A 94 15.463 4.573 12.027 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.781 8.458 12.211 1.00 0.00 H new ATOM 1606 N HIS A 95 12.334 2.182 16.420 1.00 0.00 N ATOM 1607 CA HIS A 95 12.408 1.206 17.489 1.00 0.00 C ATOM 1608 C HIS A 95 11.957 -0.129 16.955 1.00 0.00 C ATOM 1609 O HIS A 95 10.763 -0.394 16.850 1.00 0.00 O ATOM 1610 CB HIS A 95 11.550 1.602 18.709 1.00 0.00 C ATOM 1611 CG HIS A 95 11.898 2.928 19.317 1.00 0.00 C ATOM 1612 ND1 HIS A 95 11.017 3.980 19.374 1.00 0.00 N ATOM 1613 CD2 HIS A 95 13.027 3.361 19.914 1.00 0.00 C ATOM 1614 CE1 HIS A 95 11.584 4.996 19.974 1.00 0.00 C ATOM 1615 NE2 HIS A 95 12.801 4.649 20.311 1.00 0.00 N ATOM 0 H HIS A 95 11.409 2.586 16.276 1.00 0.00 H new ATOM 0 HA HIS A 95 13.441 1.156 17.833 1.00 0.00 H new ATOM 0 HB2 HIS A 95 10.502 1.619 18.409 1.00 0.00 H new ATOM 0 HB3 HIS A 95 11.650 0.830 19.472 1.00 0.00 H new ATOM 0 HD2 HIS A 95 13.937 2.797 20.052 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.126 5.956 20.159 1.00 0.00 H new ATOM 0 HE2 HIS A 95 13.473 5.245 20.793 1.00 0.00 H new ATOM 1624 N HIS A 96 12.902 -0.928 16.543 1.00 0.00 N ATOM 1625 CA HIS A 96 12.620 -2.246 15.997 1.00 0.00 C ATOM 1626 C HIS A 96 13.360 -3.285 16.788 1.00 0.00 C ATOM 1627 O HIS A 96 12.748 -4.126 17.452 1.00 0.00 O ATOM 1628 CB HIS A 96 13.017 -2.357 14.513 1.00 0.00 C ATOM 1629 CG HIS A 96 12.199 -1.545 13.560 1.00 0.00 C ATOM 1630 ND1 HIS A 96 11.371 -2.111 12.628 1.00 0.00 N ATOM 1631 CD2 HIS A 96 12.119 -0.207 13.366 1.00 0.00 C ATOM 1632 CE1 HIS A 96 10.818 -1.167 11.900 1.00 0.00 C ATOM 1633 NE2 HIS A 96 11.252 -0.002 12.329 1.00 0.00 N ATOM 0 H HIS A 96 13.894 -0.692 16.572 1.00 0.00 H new ATOM 0 HA HIS A 96 11.544 -2.408 16.067 1.00 0.00 H new ATOM 0 HB2 HIS A 96 14.061 -2.059 14.412 1.00 0.00 H new ATOM 0 HB3 HIS A 96 12.954 -3.404 14.216 1.00 0.00 H new ATOM 0 HD2 HIS A 96 12.642 0.555 13.925 1.00 0.00 H new ATOM 0 HE1 HIS A 96 10.124 -1.322 11.087 1.00 0.00 H new ATOM 0 HE2 HIS A 96 10.985 0.907 11.950 1.00 0.00 H new ATOM 1642 N HIS A 97 14.693 -3.213 16.746 1.00 0.00 N ATOM 1643 CA HIS A 97 15.517 -4.158 17.485 1.00 0.00 C ATOM 1644 C HIS A 97 15.365 -3.946 18.977 1.00 0.00 C ATOM 1645 O HIS A 97 15.493 -4.871 19.758 1.00 0.00 O ATOM 1646 CB HIS A 97 17.007 -4.176 17.031 1.00 0.00 C ATOM 1647 CG HIS A 97 17.778 -2.885 17.168 1.00 0.00 C ATOM 1648 ND1 HIS A 97 18.089 -2.079 16.097 1.00 0.00 N ATOM 1649 CD2 HIS A 97 18.352 -2.300 18.245 1.00 0.00 C ATOM 1650 CE1 HIS A 97 18.818 -1.065 16.506 1.00 0.00 C ATOM 1651 NE2 HIS A 97 18.989 -1.177 17.802 1.00 0.00 N ATOM 0 H HIS A 97 15.215 -2.517 16.213 1.00 0.00 H new ATOM 0 HA HIS A 97 15.145 -5.155 17.247 1.00 0.00 H new ATOM 0 HB2 HIS A 97 17.527 -4.944 17.604 1.00 0.00 H new ATOM 0 HB3 HIS A 97 17.039 -4.481 15.985 1.00 0.00 H new ATOM 0 HD2 HIS A 97 18.313 -2.655 19.264 1.00 0.00 H new ATOM 0 HE1 HIS A 97 19.209 -0.275 15.882 1.00 0.00 H new ATOM 0 HE2 HIS A 97 19.515 -0.527 18.386 1.00 0.00 H new ATOM 1660 N HIS A 98 15.081 -2.733 19.372 1.00 0.00 N ATOM 1661 CA HIS A 98 14.771 -2.483 20.742 1.00 0.00 C ATOM 1662 C HIS A 98 13.391 -1.874 20.802 1.00 0.00 C ATOM 1663 O HIS A 98 13.217 -0.661 20.702 1.00 0.00 O ATOM 1664 CB HIS A 98 15.821 -1.615 21.444 1.00 0.00 C ATOM 1665 CG HIS A 98 15.652 -1.579 22.937 1.00 0.00 C ATOM 1666 ND1 HIS A 98 16.289 -2.455 23.779 1.00 0.00 N ATOM 1667 CD2 HIS A 98 14.898 -0.785 23.733 1.00 0.00 C ATOM 1668 CE1 HIS A 98 15.938 -2.210 25.015 1.00 0.00 C ATOM 1669 NE2 HIS A 98 15.090 -1.203 25.022 1.00 0.00 N ATOM 0 H HIS A 98 15.060 -1.913 18.765 1.00 0.00 H new ATOM 0 HA HIS A 98 14.785 -3.425 21.290 1.00 0.00 H new ATOM 0 HB2 HIS A 98 16.815 -1.993 21.206 1.00 0.00 H new ATOM 0 HB3 HIS A 98 15.764 -0.599 21.053 1.00 0.00 H new ATOM 0 HD2 HIS A 98 14.263 0.027 23.411 1.00 0.00 H new ATOM 0 HE1 HIS A 98 16.286 -2.745 25.886 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.650 -0.801 25.850 1.00 0.00 H new ATOM 1678 N HIS A 99 12.431 -2.733 20.869 1.00 0.00 N ATOM 1679 CA HIS A 99 11.048 -2.370 20.902 1.00 0.00 C ATOM 1680 C HIS A 99 10.354 -3.348 21.812 1.00 0.00 C ATOM 1681 O HIS A 99 10.113 -3.012 22.970 1.00 0.00 O ATOM 1682 CB HIS A 99 10.442 -2.432 19.484 1.00 0.00 C ATOM 1683 CG HIS A 99 9.016 -1.967 19.392 1.00 0.00 C ATOM 1684 ND1 HIS A 99 7.955 -2.813 19.174 1.00 0.00 N ATOM 1685 CD2 HIS A 99 8.487 -0.724 19.466 1.00 0.00 C ATOM 1686 CE1 HIS A 99 6.843 -2.117 19.122 1.00 0.00 C ATOM 1687 NE2 HIS A 99 7.139 -0.847 19.296 1.00 0.00 N ATOM 1688 OXT HIS A 99 10.114 -4.496 21.382 1.00 0.00 O ATOM 0 H HIS A 99 12.588 -3.740 20.904 1.00 0.00 H new ATOM 0 HA HIS A 99 10.926 -1.350 21.267 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.052 -1.825 18.816 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.499 -3.459 19.123 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.031 0.195 19.629 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.853 -2.519 18.963 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.469 -0.078 19.303 1.00 0.00 H new TER 1697 HIS A 99