USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 929 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: A1032 THR OG1 : rot -35:sc= 0.205 USER MOD Set 1.2: A1036 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 995 TYR OH : rot 90:sc= -0.0982 USER MOD Set 2.2: A1013 LYS NZ :NH3+ -159:sc= 0.689 (180deg=0) USER MOD Set 2.3: A1015 TYR OH : rot -46:sc= -0.596 USER MOD Set 3.1: A 939 SER OG : rot -170:sc= -1.05 USER MOD Set 3.2: A 998 THR OG1 : rot 123:sc= 0.619 USER MOD Set 3.3: A1018 HIS : no HD1:sc= 0.444 K(o=0.0082,f=-7.9!) USER MOD Set 4.1: A 937 ASN : amide:sc= 2.21 K(o=3.1,f=-2.7!) USER MOD Set 4.2: A 954 THR OG1 : rot 150:sc= 0.939 USER MOD Set 5.1: A 936 GLN : amide:sc= 0.488! C(o=1.6!,f=-2.4!) USER MOD Set 5.2: A 953 TYR OH : rot 59:sc= 1.15 USER MOD Single : A 922 THR OG1 : rot 180:sc= 0 USER MOD Single : A 927 HIS : no HE2:sc= 0.563 K(o=0.56,f=-4.1!) USER MOD Single : A 928 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot 130:sc= 1.02 USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ 167:sc=-0.00184 (180deg=-0.112) USER MOD Single : A 952 THR OG1 : rot -23:sc= 0.18 USER MOD Single : A 957 ASN : amide:sc= 1.18 K(o=1.2,f=-0.004) USER MOD Single : A 960 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.856) USER MOD Single : A 963 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 965 SER OG : rot 121:sc= 1.2 USER MOD Single : A 968 THR OG1 : rot -78:sc= 0.62 USER MOD Single : A 969 CYS SG : rot 180:sc= 0.0846 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= 1.14 K(o=1.1,f=-0.19) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1003 HIS : no HD1:sc= -0.717 X(o=-0.72,f=-0.35) USER MOD Single : A1004 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.21) USER MOD Single : A1006 LYS NZ :NH3+ -157:sc= 0.56 (180deg=-0.425!) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1014 MET CE :methyl -129:sc= 0 (180deg=-0.00608) USER MOD Single : A1016 HIS : no HE2:sc= -3.81 K(o=-3.8,f=-11!) USER MOD Single : A1017 THR OG1 : rot -150:sc= 1.42 USER MOD Single : A1026 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.19) USER MOD Single : A1028 LYS NZ :NH3+ 149:sc= 1.18 (180deg=0.551) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1033 GLN : amide:sc= -0.636 K(o=-0.64,f=-1.4) USER MOD Single : A1034 THR OG1 : rot 13:sc= 1.12 USER MOD Single : A1037 SER OG : rot 180:sc= 0 USER MOD Single : A1038 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 918 -12.063 -3.891 21.695 1.00 0.00 N ATOM 2 CA ILE A 918 -11.147 -4.915 22.222 1.00 0.00 C ATOM 3 C ILE A 918 -11.241 -6.217 21.428 1.00 0.00 C ATOM 4 O ILE A 918 -10.395 -7.099 21.581 1.00 0.00 O ATOM 5 CB ILE A 918 -11.373 -5.198 23.725 1.00 0.00 C ATOM 6 CG1 ILE A 918 -12.820 -5.616 24.003 1.00 0.00 C ATOM 7 CG2 ILE A 918 -10.990 -3.976 24.550 1.00 0.00 C ATOM 8 CD1 ILE A 918 -13.082 -5.994 25.445 1.00 0.00 C ATOM 0 HA ILE A 918 -10.144 -4.505 22.108 1.00 0.00 H new ATOM 0 HB ILE A 918 -10.733 -6.031 24.016 1.00 0.00 H new ATOM 0 HG12 ILE A 918 -13.484 -4.797 23.726 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -13.073 -6.462 23.364 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -11.153 -4.185 25.607 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -9.939 -3.740 24.384 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -11.604 -3.127 24.249 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -14.128 -6.278 25.562 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -12.445 -6.834 25.723 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -12.862 -5.143 26.090 1.00 0.00 H new ATOM 22 N ASP A 919 -12.273 -6.357 20.603 1.00 0.00 N ATOM 23 CA ASP A 919 -12.403 -7.531 19.743 1.00 0.00 C ATOM 24 C ASP A 919 -11.881 -7.191 18.355 1.00 0.00 C ATOM 25 O ASP A 919 -12.499 -6.404 17.634 1.00 0.00 O ATOM 26 CB ASP A 919 -13.863 -7.986 19.647 1.00 0.00 C ATOM 27 CG ASP A 919 -14.041 -9.205 18.763 1.00 0.00 C ATOM 28 OD1 ASP A 919 -13.963 -10.337 19.274 1.00 0.00 O ATOM 29 OD2 ASP A 919 -14.287 -9.058 17.547 1.00 0.00 O ATOM 0 H ASP A 919 -13.028 -5.678 20.511 1.00 0.00 H new ATOM 0 HA ASP A 919 -11.822 -8.346 20.174 1.00 0.00 H new ATOM 0 HB2 ASP A 919 -14.236 -8.210 20.647 1.00 0.00 H new ATOM 0 HB3 ASP A 919 -14.469 -7.168 19.257 1.00 0.00 H new ATOM 34 N PRO A 920 -10.708 -7.709 17.981 1.00 0.00 N ATOM 35 CA PRO A 920 -10.103 -7.434 16.694 1.00 0.00 C ATOM 36 C PRO A 920 -10.361 -8.537 15.671 1.00 0.00 C ATOM 37 O PRO A 920 -11.051 -9.523 15.946 1.00 0.00 O ATOM 38 CB PRO A 920 -8.617 -7.371 17.057 1.00 0.00 C ATOM 39 CG PRO A 920 -8.455 -8.213 18.292 1.00 0.00 C ATOM 40 CD PRO A 920 -9.839 -8.578 18.780 1.00 0.00 C ATOM 0 HA PRO A 920 -10.499 -6.534 16.224 1.00 0.00 H new ATOM 0 HB2 PRO A 920 -8.000 -7.751 16.242 1.00 0.00 H new ATOM 0 HB3 PRO A 920 -8.304 -6.343 17.242 1.00 0.00 H new ATOM 0 HG2 PRO A 920 -7.878 -9.111 18.071 1.00 0.00 H new ATOM 0 HG3 PRO A 920 -7.910 -7.665 19.061 1.00 0.00 H new ATOM 0 HD2 PRO A 920 -10.060 -9.632 18.615 1.00 0.00 H new ATOM 0 HD3 PRO A 920 -9.953 -8.392 19.848 1.00 0.00 H new ATOM 48 N PHE A 921 -9.820 -8.359 14.485 1.00 0.00 N ATOM 49 CA PHE A 921 -9.891 -9.376 13.454 1.00 0.00 C ATOM 50 C PHE A 921 -8.579 -10.137 13.444 1.00 0.00 C ATOM 51 O PHE A 921 -8.498 -11.284 12.997 1.00 0.00 O ATOM 52 CB PHE A 921 -10.178 -8.761 12.084 1.00 0.00 C ATOM 53 CG PHE A 921 -11.554 -8.170 11.971 1.00 0.00 C ATOM 54 CD1 PHE A 921 -12.618 -8.947 11.544 1.00 0.00 C ATOM 55 CD2 PHE A 921 -11.786 -6.845 12.294 1.00 0.00 C ATOM 56 CE1 PHE A 921 -13.887 -8.414 11.442 1.00 0.00 C ATOM 57 CE2 PHE A 921 -13.051 -6.305 12.195 1.00 0.00 C ATOM 58 CZ PHE A 921 -14.105 -7.089 11.767 1.00 0.00 C ATOM 0 H PHE A 921 -9.322 -7.513 14.208 1.00 0.00 H new ATOM 0 HA PHE A 921 -10.713 -10.058 13.671 1.00 0.00 H new ATOM 0 HB2 PHE A 921 -9.440 -7.985 11.881 1.00 0.00 H new ATOM 0 HB3 PHE A 921 -10.055 -9.526 11.318 1.00 0.00 H new ATOM 0 HD1 PHE A 921 -12.453 -9.983 11.288 1.00 0.00 H new ATOM 0 HD2 PHE A 921 -10.966 -6.226 12.628 1.00 0.00 H new ATOM 0 HE1 PHE A 921 -14.708 -9.031 11.109 1.00 0.00 H new ATOM 0 HE2 PHE A 921 -13.218 -5.269 12.452 1.00 0.00 H new ATOM 0 HZ PHE A 921 -15.096 -6.667 11.687 1.00 0.00 H new ATOM 68 N THR A 922 -7.550 -9.478 13.956 1.00 0.00 N ATOM 69 CA THR A 922 -6.253 -10.089 14.122 1.00 0.00 C ATOM 70 C THR A 922 -6.301 -10.982 15.369 1.00 0.00 C ATOM 71 O THR A 922 -6.036 -10.539 16.491 1.00 0.00 O ATOM 72 CB THR A 922 -5.157 -9.009 14.283 1.00 0.00 C ATOM 73 OG1 THR A 922 -5.364 -7.949 13.329 1.00 0.00 O ATOM 74 CG2 THR A 922 -3.772 -9.597 14.064 1.00 0.00 C ATOM 0 H THR A 922 -7.597 -8.507 14.265 1.00 0.00 H new ATOM 0 HA THR A 922 -6.009 -10.682 13.241 1.00 0.00 H new ATOM 0 HB THR A 922 -5.223 -8.619 15.299 1.00 0.00 H new ATOM 0 HG1 THR A 922 -4.667 -7.269 13.439 1.00 0.00 H new ATOM 0 HG21 THR A 922 -3.022 -8.815 14.183 1.00 0.00 H new ATOM 0 HG22 THR A 922 -3.592 -10.387 14.794 1.00 0.00 H new ATOM 0 HG23 THR A 922 -3.707 -10.011 13.058 1.00 0.00 H new ATOM 82 N ALA A 923 -6.779 -12.193 15.177 1.00 0.00 N ATOM 83 CA ALA A 923 -6.897 -13.171 16.232 1.00 0.00 C ATOM 84 C ALA A 923 -6.558 -14.522 15.651 1.00 0.00 C ATOM 85 O ALA A 923 -7.056 -14.876 14.572 1.00 0.00 O ATOM 86 CB ALA A 923 -8.306 -13.170 16.809 1.00 0.00 C ATOM 0 H ALA A 923 -7.101 -12.529 14.269 1.00 0.00 H new ATOM 0 HA ALA A 923 -6.213 -12.931 17.046 1.00 0.00 H new ATOM 0 HB1 ALA A 923 -8.375 -13.914 17.603 1.00 0.00 H new ATOM 0 HB2 ALA A 923 -8.532 -12.184 17.215 1.00 0.00 H new ATOM 0 HB3 ALA A 923 -9.021 -13.411 16.023 1.00 0.00 H new ATOM 92 N ASP A 924 -5.740 -15.282 16.339 1.00 0.00 N ATOM 93 CA ASP A 924 -5.266 -16.530 15.787 1.00 0.00 C ATOM 94 C ASP A 924 -5.263 -17.623 16.835 1.00 0.00 C ATOM 95 O ASP A 924 -5.150 -17.354 18.033 1.00 0.00 O ATOM 96 CB ASP A 924 -3.844 -16.360 15.240 1.00 0.00 C ATOM 97 CG ASP A 924 -2.769 -16.377 16.316 1.00 0.00 C ATOM 98 OD1 ASP A 924 -2.579 -15.368 17.038 1.00 0.00 O ATOM 99 OD2 ASP A 924 -2.086 -17.407 16.450 1.00 0.00 O ATOM 0 H ASP A 924 -5.391 -15.062 17.272 1.00 0.00 H new ATOM 0 HA ASP A 924 -5.942 -16.814 14.981 1.00 0.00 H new ATOM 0 HB2 ASP A 924 -3.642 -17.157 14.524 1.00 0.00 H new ATOM 0 HB3 ASP A 924 -3.784 -15.418 14.694 1.00 0.00 H new ATOM 104 N ALA A 925 -5.448 -18.845 16.375 1.00 0.00 N ATOM 105 CA ALA A 925 -5.270 -20.016 17.207 1.00 0.00 C ATOM 106 C ALA A 925 -3.826 -20.467 17.055 1.00 0.00 C ATOM 107 O ALA A 925 -3.218 -21.029 17.972 1.00 0.00 O ATOM 108 CB ALA A 925 -6.220 -21.119 16.774 1.00 0.00 C ATOM 0 H ALA A 925 -5.725 -19.052 15.416 1.00 0.00 H new ATOM 0 HA ALA A 925 -5.489 -19.784 18.249 1.00 0.00 H new ATOM 0 HB1 ALA A 925 -6.075 -21.994 17.408 1.00 0.00 H new ATOM 0 HB2 ALA A 925 -7.249 -20.770 16.866 1.00 0.00 H new ATOM 0 HB3 ALA A 925 -6.019 -21.386 15.736 1.00 0.00 H new ATOM 114 N GLY A 926 -3.306 -20.235 15.860 1.00 0.00 N ATOM 115 CA GLY A 926 -1.921 -20.489 15.562 1.00 0.00 C ATOM 116 C GLY A 926 -1.557 -20.118 14.144 1.00 0.00 C ATOM 117 O GLY A 926 -0.927 -20.900 13.440 1.00 0.00 O ATOM 0 H GLY A 926 -3.840 -19.865 15.074 1.00 0.00 H new ATOM 0 HA2 GLY A 926 -1.295 -19.926 16.254 1.00 0.00 H new ATOM 0 HA3 GLY A 926 -1.705 -21.545 15.725 1.00 0.00 H new ATOM 121 N HIS A 927 -1.972 -18.944 13.693 1.00 0.00 N ATOM 122 CA HIS A 927 -1.543 -18.488 12.379 1.00 0.00 C ATOM 123 C HIS A 927 -0.746 -17.240 12.560 1.00 0.00 C ATOM 124 O HIS A 927 -1.075 -16.421 13.407 1.00 0.00 O ATOM 125 CB HIS A 927 -2.628 -18.019 11.395 1.00 0.00 C ATOM 126 CG HIS A 927 -4.039 -18.475 11.561 1.00 0.00 C ATOM 127 ND1 HIS A 927 -4.627 -19.494 10.839 1.00 0.00 N ATOM 128 CD2 HIS A 927 -5.016 -17.941 12.313 1.00 0.00 C ATOM 129 CE1 HIS A 927 -5.906 -19.564 11.153 1.00 0.00 C ATOM 130 NE2 HIS A 927 -6.170 -18.630 12.050 1.00 0.00 N ATOM 0 H HIS A 927 -2.587 -18.306 14.199 1.00 0.00 H new ATOM 0 HA HIS A 927 -1.048 -19.369 11.970 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -2.636 -16.929 11.418 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -2.308 -18.315 10.396 1.00 0.00 H new ATOM 0 HD1 HIS A 927 -4.149 -20.097 10.169 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.910 -17.116 13.002 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -6.618 -20.267 10.746 1.00 0.00 H new ATOM 139 N THR A 928 0.304 -17.097 11.812 1.00 0.00 N ATOM 140 CA THR A 928 0.893 -15.803 11.667 1.00 0.00 C ATOM 141 C THR A 928 0.266 -15.176 10.434 1.00 0.00 C ATOM 142 O THR A 928 0.277 -15.794 9.367 1.00 0.00 O ATOM 143 CB THR A 928 2.387 -15.919 11.398 1.00 0.00 C ATOM 144 OG1 THR A 928 2.814 -17.269 11.661 1.00 0.00 O ATOM 145 CG2 THR A 928 3.177 -14.945 12.263 1.00 0.00 C ATOM 0 H THR A 928 0.765 -17.849 11.299 1.00 0.00 H new ATOM 0 HA THR A 928 0.733 -15.221 12.575 1.00 0.00 H new ATOM 0 HB THR A 928 2.574 -15.669 10.354 1.00 0.00 H new ATOM 0 HG1 THR A 928 3.775 -17.348 11.487 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.241 -15.050 12.050 1.00 0.00 H new ATOM 0 HG22 THR A 928 2.862 -13.925 12.043 1.00 0.00 H new ATOM 0 HG23 THR A 928 2.995 -15.163 13.315 1.00 0.00 H new ATOM 153 N GLU A 929 -0.338 -14.032 10.573 1.00 0.00 N ATOM 154 CA GLU A 929 -0.784 -13.279 9.435 1.00 0.00 C ATOM 155 C GLU A 929 -0.475 -11.807 9.714 1.00 0.00 C ATOM 156 O GLU A 929 -0.616 -11.343 10.847 1.00 0.00 O ATOM 157 CB GLU A 929 -2.274 -13.485 9.107 1.00 0.00 C ATOM 158 CG GLU A 929 -3.240 -12.966 10.127 1.00 0.00 C ATOM 159 CD GLU A 929 -3.265 -13.796 11.391 1.00 0.00 C ATOM 160 OE1 GLU A 929 -3.989 -14.818 11.423 1.00 0.00 O ATOM 161 OE2 GLU A 929 -2.549 -13.453 12.344 1.00 0.00 O ATOM 0 H GLU A 929 -0.535 -13.595 11.473 1.00 0.00 H new ATOM 0 HA GLU A 929 -0.255 -13.632 8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.487 -13.003 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -2.454 -14.552 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.978 -11.938 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -4.240 -12.943 9.694 1.00 0.00 H new ATOM 168 N PHE A 930 0.014 -11.094 8.728 1.00 0.00 N ATOM 169 CA PHE A 930 0.360 -9.690 8.858 1.00 0.00 C ATOM 170 C PHE A 930 -0.163 -8.972 7.611 1.00 0.00 C ATOM 171 O PHE A 930 -0.148 -9.553 6.535 1.00 0.00 O ATOM 172 CB PHE A 930 1.893 -9.585 8.965 1.00 0.00 C ATOM 173 CG PHE A 930 2.456 -8.192 9.060 1.00 0.00 C ATOM 174 CD1 PHE A 930 2.453 -7.504 10.261 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.017 -7.584 7.946 1.00 0.00 C ATOM 176 CE1 PHE A 930 2.994 -6.235 10.351 1.00 0.00 C ATOM 177 CE2 PHE A 930 3.554 -6.315 8.029 1.00 0.00 C ATOM 178 CZ PHE A 930 3.543 -5.639 9.232 1.00 0.00 C ATOM 0 H PHE A 930 0.187 -11.474 7.797 1.00 0.00 H new ATOM 0 HA PHE A 930 -0.081 -9.234 9.744 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.215 -10.146 9.842 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.332 -10.074 8.095 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.023 -7.964 11.138 1.00 0.00 H new ATOM 0 HD2 PHE A 930 3.034 -8.110 7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 930 2.987 -5.710 11.295 1.00 0.00 H new ATOM 0 HE2 PHE A 930 3.983 -5.851 7.153 1.00 0.00 H new ATOM 0 HZ PHE A 930 3.963 -4.646 9.299 1.00 0.00 H new ATOM 188 N THR A 931 -0.698 -7.775 7.748 1.00 0.00 N ATOM 189 CA THR A 931 -1.180 -7.026 6.586 1.00 0.00 C ATOM 190 C THR A 931 -0.025 -6.493 5.721 1.00 0.00 C ATOM 191 O THR A 931 0.896 -5.845 6.226 1.00 0.00 O ATOM 192 CB THR A 931 -2.095 -5.854 7.013 1.00 0.00 C ATOM 193 OG1 THR A 931 -3.124 -6.355 7.879 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.747 -5.183 5.797 1.00 0.00 C ATOM 0 H THR A 931 -0.813 -7.296 8.641 1.00 0.00 H new ATOM 0 HA THR A 931 -1.759 -7.728 5.985 1.00 0.00 H new ATOM 0 HB THR A 931 -1.485 -5.112 7.529 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.707 -5.617 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.384 -4.364 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 931 -1.972 -4.794 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.350 -5.914 5.258 1.00 0.00 H new ATOM 202 N ASP A 932 -0.087 -6.744 4.416 1.00 0.00 N ATOM 203 CA ASP A 932 0.933 -6.246 3.499 1.00 0.00 C ATOM 204 C ASP A 932 0.339 -5.011 2.843 1.00 0.00 C ATOM 205 O ASP A 932 -0.893 -4.855 2.829 1.00 0.00 O ATOM 206 CB ASP A 932 1.310 -7.278 2.426 1.00 0.00 C ATOM 207 CG ASP A 932 2.668 -7.017 1.799 1.00 0.00 C ATOM 208 OD1 ASP A 932 2.816 -6.077 1.005 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.629 -7.760 2.109 1.00 0.00 O ATOM 0 H ASP A 932 -0.828 -7.286 3.972 1.00 0.00 H new ATOM 0 HA ASP A 932 1.851 -6.028 4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.307 -8.273 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.550 -7.276 1.645 1.00 0.00 H new ATOM 214 N GLU A 933 1.166 -4.159 2.280 1.00 0.00 N ATOM 215 CA GLU A 933 0.701 -2.876 1.799 1.00 0.00 C ATOM 216 C GLU A 933 1.662 -2.301 0.759 1.00 0.00 C ATOM 217 O GLU A 933 2.879 -2.506 0.826 1.00 0.00 O ATOM 218 CB GLU A 933 0.551 -1.940 2.992 1.00 0.00 C ATOM 219 CG GLU A 933 1.869 -1.582 3.665 1.00 0.00 C ATOM 220 CD GLU A 933 1.706 -0.686 4.867 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.109 -1.128 5.870 1.00 0.00 O ATOM 222 OE2 GLU A 933 2.231 0.448 4.854 1.00 0.00 O ATOM 0 H GLU A 933 2.162 -4.330 2.144 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.264 -2.994 1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 933 0.062 -1.023 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.106 -2.406 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.373 -2.499 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.516 -1.089 2.940 1.00 0.00 H new ATOM 229 N VAL A 934 1.106 -1.613 -0.211 1.00 0.00 N ATOM 230 CA VAL A 934 1.871 -0.954 -1.261 1.00 0.00 C ATOM 231 C VAL A 934 1.197 0.377 -1.540 1.00 0.00 C ATOM 232 O VAL A 934 0.116 0.636 -1.015 1.00 0.00 O ATOM 233 CB VAL A 934 1.949 -1.848 -2.530 1.00 0.00 C ATOM 234 CG1 VAL A 934 0.581 -2.095 -3.145 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.922 -1.325 -3.587 1.00 0.00 C ATOM 0 H VAL A 934 0.097 -1.490 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 934 2.901 -0.785 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 934 2.345 -2.800 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 934 0.688 -2.724 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -0.060 -2.595 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 934 0.133 -1.143 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.925 -1.999 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.611 -0.331 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.925 -1.272 -3.164 1.00 0.00 H new ATOM 245 N TYR A 935 1.811 1.215 -2.330 1.00 0.00 N ATOM 246 CA TYR A 935 1.288 2.526 -2.596 1.00 0.00 C ATOM 247 C TYR A 935 1.210 2.752 -4.087 1.00 0.00 C ATOM 248 O TYR A 935 2.072 2.292 -4.840 1.00 0.00 O ATOM 249 CB TYR A 935 2.177 3.569 -1.946 1.00 0.00 C ATOM 250 CG TYR A 935 2.085 3.599 -0.436 1.00 0.00 C ATOM 251 CD1 TYR A 935 2.902 2.800 0.351 1.00 0.00 C ATOM 252 CD2 TYR A 935 1.167 4.424 0.201 1.00 0.00 C ATOM 253 CE1 TYR A 935 2.809 2.823 1.728 1.00 0.00 C ATOM 254 CE2 TYR A 935 1.070 4.455 1.578 1.00 0.00 C ATOM 255 CZ TYR A 935 1.893 3.652 2.336 1.00 0.00 C ATOM 256 OH TYR A 935 1.799 3.676 3.709 1.00 0.00 O ATOM 0 H TYR A 935 2.688 1.008 -2.807 1.00 0.00 H new ATOM 0 HA TYR A 935 0.285 2.610 -2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 935 3.211 3.380 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.912 4.552 -2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 935 3.623 2.149 -0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 935 0.518 5.052 -0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 935 3.452 2.194 2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 935 0.353 5.105 2.058 1.00 0.00 H new ATOM 0 HH TYR A 935 1.829 4.604 4.023 1.00 0.00 H new ATOM 266 N GLN A 936 0.170 3.441 -4.496 1.00 0.00 N ATOM 267 CA GLN A 936 -0.038 3.754 -5.890 1.00 0.00 C ATOM 268 C GLN A 936 -0.015 5.257 -6.077 1.00 0.00 C ATOM 269 O GLN A 936 -0.846 5.969 -5.523 1.00 0.00 O ATOM 270 CB GLN A 936 -1.368 3.237 -6.397 1.00 0.00 C ATOM 271 CG GLN A 936 -1.511 3.430 -7.891 1.00 0.00 C ATOM 272 CD GLN A 936 -2.919 3.230 -8.351 1.00 0.00 C ATOM 273 OE1 GLN A 936 -3.334 2.120 -8.670 1.00 0.00 O ATOM 274 NE2 GLN A 936 -3.667 4.305 -8.400 1.00 0.00 N ATOM 0 H GLN A 936 -0.554 3.799 -3.873 1.00 0.00 H new ATOM 0 HA GLN A 936 0.761 3.272 -6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -1.462 2.178 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.179 3.754 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -1.181 4.434 -8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -0.857 2.730 -8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.281 5.208 -8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -4.636 4.239 -8.713 1.00 0.00 H new ATOM 283 N ASN A 937 0.932 5.700 -6.853 1.00 0.00 N ATOM 284 CA ASN A 937 1.153 7.106 -7.140 1.00 0.00 C ATOM 285 C ASN A 937 0.486 7.514 -8.438 1.00 0.00 C ATOM 286 O ASN A 937 0.695 6.918 -9.495 1.00 0.00 O ATOM 287 CB ASN A 937 2.647 7.424 -7.286 1.00 0.00 C ATOM 288 CG ASN A 937 3.477 7.012 -6.095 1.00 0.00 C ATOM 289 OD1 ASN A 937 3.753 7.795 -5.179 1.00 0.00 O ATOM 290 ND2 ASN A 937 3.853 5.761 -6.095 1.00 0.00 N ATOM 0 H ASN A 937 1.596 5.083 -7.321 1.00 0.00 H new ATOM 0 HA ASN A 937 0.728 7.654 -6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 937 3.030 6.923 -8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.767 8.495 -7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 937 4.399 5.392 -5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 937 3.601 5.153 -6.874 1.00 0.00 H new ATOM 297 N GLU A 938 -0.307 8.531 -8.323 1.00 0.00 N ATOM 298 CA GLU A 938 -0.874 9.240 -9.449 1.00 0.00 C ATOM 299 C GLU A 938 -0.409 10.663 -9.296 1.00 0.00 C ATOM 300 O GLU A 938 -0.058 11.086 -8.184 1.00 0.00 O ATOM 301 CB GLU A 938 -2.404 9.126 -9.527 1.00 0.00 C ATOM 302 CG GLU A 938 -2.846 7.765 -10.050 1.00 0.00 C ATOM 303 CD GLU A 938 -4.333 7.642 -10.301 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.965 8.617 -10.750 1.00 0.00 O ATOM 305 OE2 GLU A 938 -4.883 6.535 -10.119 1.00 0.00 O ATOM 0 H GLU A 938 -0.593 8.910 -7.420 1.00 0.00 H new ATOM 0 HA GLU A 938 -0.539 8.807 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.831 9.291 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -2.794 9.909 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -2.315 7.557 -10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.547 7.000 -9.334 1.00 0.00 H new ATOM 312 N SER A 939 -0.324 11.397 -10.370 1.00 0.00 N ATOM 313 CA SER A 939 0.256 12.709 -10.288 1.00 0.00 C ATOM 314 C SER A 939 -0.439 13.660 -11.231 1.00 0.00 C ATOM 315 O SER A 939 -1.113 13.233 -12.171 1.00 0.00 O ATOM 316 CB SER A 939 1.759 12.640 -10.581 1.00 0.00 C ATOM 317 OG SER A 939 2.394 11.729 -9.695 1.00 0.00 O ATOM 0 H SER A 939 -0.643 11.117 -11.298 1.00 0.00 H new ATOM 0 HA SER A 939 0.121 13.089 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 939 1.921 12.327 -11.612 1.00 0.00 H new ATOM 0 HB3 SER A 939 2.203 13.630 -10.475 1.00 0.00 H new ATOM 0 HG SER A 939 3.367 11.810 -9.784 1.00 0.00 H new ATOM 323 N ARG A 940 -0.308 14.932 -10.924 1.00 0.00 N ATOM 324 CA ARG A 940 -0.874 15.980 -11.710 1.00 0.00 C ATOM 325 C ARG A 940 -0.026 17.214 -11.548 1.00 0.00 C ATOM 326 O ARG A 940 0.747 17.326 -10.597 1.00 0.00 O ATOM 327 CB ARG A 940 -2.294 16.289 -11.269 1.00 0.00 C ATOM 328 CG ARG A 940 -2.413 16.840 -9.863 1.00 0.00 C ATOM 329 CD ARG A 940 -3.843 17.212 -9.569 1.00 0.00 C ATOM 330 NE ARG A 940 -3.952 18.146 -8.457 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.105 18.537 -7.909 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.247 17.959 -8.253 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.109 19.498 -7.002 1.00 0.00 N ATOM 0 H ARG A 940 0.205 15.261 -10.106 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.901 15.663 -12.753 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.728 17.007 -11.964 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.888 15.378 -11.339 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.067 16.098 -9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.772 17.715 -9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -4.291 17.655 -10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.411 16.310 -9.341 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.089 18.527 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -6.251 17.208 -8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -7.122 18.266 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -4.233 19.939 -6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -5.988 19.799 -6.582 1.00 0.00 H new ATOM 347 N TYR A 941 -0.150 18.113 -12.491 1.00 0.00 N ATOM 348 CA TYR A 941 0.484 19.413 -12.401 1.00 0.00 C ATOM 349 C TYR A 941 -0.369 20.209 -11.422 1.00 0.00 C ATOM 350 O TYR A 941 -1.487 19.767 -11.114 1.00 0.00 O ATOM 351 CB TYR A 941 0.439 20.111 -13.765 1.00 0.00 C ATOM 352 CG TYR A 941 0.631 19.175 -14.942 1.00 0.00 C ATOM 353 CD1 TYR A 941 -0.457 18.512 -15.502 1.00 0.00 C ATOM 354 CD2 TYR A 941 1.888 18.936 -15.480 1.00 0.00 C ATOM 355 CE1 TYR A 941 -0.298 17.643 -16.557 1.00 0.00 C ATOM 356 CE2 TYR A 941 2.056 18.061 -16.536 1.00 0.00 C ATOM 357 CZ TYR A 941 0.959 17.420 -17.071 1.00 0.00 C ATOM 358 OH TYR A 941 1.121 16.535 -18.109 1.00 0.00 O ATOM 0 H TYR A 941 -0.691 17.969 -13.343 1.00 0.00 H new ATOM 0 HA TYR A 941 1.525 19.331 -12.088 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.520 20.619 -13.870 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.212 20.879 -13.795 1.00 0.00 H new ATOM 0 HD1 TYR A 941 -1.445 18.683 -15.101 1.00 0.00 H new ATOM 0 HD2 TYR A 941 2.748 19.442 -15.067 1.00 0.00 H new ATOM 0 HE1 TYR A 941 -1.155 17.139 -16.979 1.00 0.00 H new ATOM 0 HE2 TYR A 941 3.041 17.880 -16.940 1.00 0.00 H new ATOM 0 HH TYR A 941 2.068 16.491 -18.357 1.00 0.00 H new ATOM 368 N PRO A 942 0.083 21.361 -10.914 1.00 0.00 N ATOM 369 CA PRO A 942 -0.755 22.193 -10.050 1.00 0.00 C ATOM 370 C PRO A 942 -1.900 22.835 -10.840 1.00 0.00 C ATOM 371 O PRO A 942 -1.850 24.011 -11.198 1.00 0.00 O ATOM 372 CB PRO A 942 0.208 23.257 -9.513 1.00 0.00 C ATOM 373 CG PRO A 942 1.579 22.766 -9.852 1.00 0.00 C ATOM 374 CD PRO A 942 1.426 21.932 -11.088 1.00 0.00 C ATOM 0 HA PRO A 942 -1.232 21.620 -9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 942 0.015 24.227 -9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 942 0.092 23.383 -8.437 1.00 0.00 H new ATOM 0 HG2 PRO A 942 2.260 23.599 -10.026 1.00 0.00 H new ATOM 0 HG3 PRO A 942 1.996 22.178 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.499 22.532 -11.995 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.191 21.159 -11.155 1.00 0.00 H new ATOM 382 N GLY A 943 -2.891 22.023 -11.176 1.00 0.00 N ATOM 383 CA GLY A 943 -4.011 22.441 -11.992 1.00 0.00 C ATOM 384 C GLY A 943 -4.377 21.332 -12.977 1.00 0.00 C ATOM 385 O GLY A 943 -5.178 21.530 -13.892 1.00 0.00 O ATOM 0 H GLY A 943 -2.937 21.047 -10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -4.867 22.674 -11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -3.758 23.352 -12.534 1.00 0.00 H new ATOM 389 N GLY A 944 -3.744 20.170 -12.795 1.00 0.00 N ATOM 390 CA GLY A 944 -3.998 19.016 -13.644 1.00 0.00 C ATOM 391 C GLY A 944 -4.906 18.028 -12.958 1.00 0.00 C ATOM 392 O GLY A 944 -5.533 18.372 -11.956 1.00 0.00 O ATOM 0 H GLY A 944 -3.051 20.009 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.451 19.342 -14.580 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -3.055 18.532 -13.898 1.00 0.00 H new ATOM 396 N ASP A 945 -5.010 16.814 -13.476 1.00 0.00 N ATOM 397 CA ASP A 945 -5.787 15.778 -12.820 1.00 0.00 C ATOM 398 C ASP A 945 -4.877 14.583 -12.636 1.00 0.00 C ATOM 399 O ASP A 945 -3.862 14.489 -13.330 1.00 0.00 O ATOM 400 CB ASP A 945 -6.986 15.368 -13.662 1.00 0.00 C ATOM 401 CG ASP A 945 -8.010 14.607 -12.846 1.00 0.00 C ATOM 402 OD1 ASP A 945 -8.719 15.233 -12.036 1.00 0.00 O ATOM 403 OD2 ASP A 945 -8.113 13.378 -12.980 1.00 0.00 O ATOM 0 H ASP A 945 -4.566 16.524 -14.347 1.00 0.00 H new ATOM 0 HA ASP A 945 -6.163 16.151 -11.867 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -7.450 16.256 -14.091 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -6.651 14.749 -14.495 1.00 0.00 H new ATOM 408 N TRP A 946 -5.211 13.688 -11.727 1.00 0.00 N ATOM 409 CA TRP A 946 -4.355 12.577 -11.424 1.00 0.00 C ATOM 410 C TRP A 946 -4.398 11.568 -12.535 1.00 0.00 C ATOM 411 O TRP A 946 -5.458 11.189 -13.035 1.00 0.00 O ATOM 412 CB TRP A 946 -4.771 11.907 -10.124 1.00 0.00 C ATOM 413 CG TRP A 946 -4.990 12.876 -9.036 1.00 0.00 C ATOM 414 CD1 TRP A 946 -6.172 13.314 -8.537 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.972 13.546 -8.329 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.934 14.233 -7.556 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.590 14.385 -7.401 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.591 13.508 -8.397 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -3.866 15.187 -6.538 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.876 14.298 -7.550 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.508 15.128 -6.628 1.00 0.00 C ATOM 0 H TRP A 946 -6.076 13.716 -11.187 1.00 0.00 H new ATOM 0 HA TRP A 946 -3.340 12.959 -11.315 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -5.686 11.337 -10.289 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -4.002 11.195 -9.823 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -7.148 12.987 -8.864 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.650 14.727 -7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -2.091 12.866 -9.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.356 15.832 -5.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.797 14.281 -7.594 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -1.908 15.739 -5.969 1.00 0.00 H new ATOM 432 N LYS A 947 -3.239 11.201 -12.956 1.00 0.00 N ATOM 433 CA LYS A 947 -3.043 10.146 -13.886 1.00 0.00 C ATOM 434 C LYS A 947 -1.734 9.534 -13.458 1.00 0.00 C ATOM 435 O LYS A 947 -0.839 10.272 -13.040 1.00 0.00 O ATOM 436 CB LYS A 947 -3.047 10.659 -15.330 1.00 0.00 C ATOM 437 CG LYS A 947 -2.094 11.798 -15.603 1.00 0.00 C ATOM 438 CD LYS A 947 -2.189 12.238 -17.054 1.00 0.00 C ATOM 439 CE LYS A 947 -1.053 13.162 -17.443 1.00 0.00 C ATOM 440 NZ LYS A 947 0.241 12.437 -17.539 1.00 0.00 N ATOM 0 H LYS A 947 -2.371 11.643 -12.652 1.00 0.00 H new ATOM 0 HA LYS A 947 -3.844 9.407 -13.882 1.00 0.00 H new ATOM 0 HB2 LYS A 947 -2.801 9.831 -15.995 1.00 0.00 H new ATOM 0 HB3 LYS A 947 -4.057 10.981 -15.583 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -2.324 12.637 -14.947 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -1.074 11.488 -15.377 1.00 0.00 H new ATOM 0 HD2 LYS A 947 -2.180 11.360 -17.700 1.00 0.00 H new ATOM 0 HD3 LYS A 947 -3.140 12.744 -17.218 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -1.278 13.632 -18.401 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -0.967 13.962 -16.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 0.943 13.040 -18.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 0.578 12.200 -16.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 0.109 11.563 -18.086 1.00 0.00 H new ATOM 454 N PRO A 948 -1.631 8.210 -13.460 1.00 0.00 N ATOM 455 CA PRO A 948 -0.498 7.492 -12.863 1.00 0.00 C ATOM 456 C PRO A 948 0.869 7.997 -13.288 1.00 0.00 C ATOM 457 O PRO A 948 1.141 8.165 -14.485 1.00 0.00 O ATOM 458 CB PRO A 948 -0.711 6.057 -13.335 1.00 0.00 C ATOM 459 CG PRO A 948 -2.181 5.963 -13.514 1.00 0.00 C ATOM 460 CD PRO A 948 -2.602 7.287 -14.064 1.00 0.00 C ATOM 0 HA PRO A 948 -0.486 7.621 -11.781 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -0.180 5.858 -14.266 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -0.349 5.336 -12.602 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -2.442 5.154 -14.196 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -2.679 5.755 -12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.556 7.306 -15.153 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.626 7.535 -13.783 1.00 0.00 H new ATOM 468 N ALA A 949 1.683 8.350 -12.287 1.00 0.00 N ATOM 469 CA ALA A 949 3.107 8.650 -12.472 1.00 0.00 C ATOM 470 C ALA A 949 3.811 7.532 -13.206 1.00 0.00 C ATOM 471 O ALA A 949 3.221 6.486 -13.498 1.00 0.00 O ATOM 472 CB ALA A 949 3.756 8.914 -11.122 1.00 0.00 C ATOM 0 H ALA A 949 1.370 8.436 -11.320 1.00 0.00 H new ATOM 0 HA ALA A 949 3.198 9.546 -13.086 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.814 9.136 -11.264 1.00 0.00 H new ATOM 0 HB2 ALA A 949 3.268 9.763 -10.643 1.00 0.00 H new ATOM 0 HB3 ALA A 949 3.652 8.032 -10.490 1.00 0.00 H new ATOM 478 N GLU A 950 5.105 7.641 -13.399 1.00 0.00 N ATOM 479 CA GLU A 950 5.666 6.766 -14.384 1.00 0.00 C ATOM 480 C GLU A 950 6.376 5.614 -13.685 1.00 0.00 C ATOM 481 O GLU A 950 6.964 4.732 -14.311 1.00 0.00 O ATOM 482 CB GLU A 950 6.582 7.534 -15.302 1.00 0.00 C ATOM 483 CG GLU A 950 6.603 6.898 -16.653 1.00 0.00 C ATOM 484 CD GLU A 950 7.571 7.544 -17.600 1.00 0.00 C ATOM 485 OE1 GLU A 950 8.738 7.126 -17.644 1.00 0.00 O ATOM 486 OE2 GLU A 950 7.168 8.472 -18.338 1.00 0.00 O ATOM 0 H GLU A 950 5.744 8.278 -12.924 1.00 0.00 H new ATOM 0 HA GLU A 950 4.877 6.344 -15.006 1.00 0.00 H new ATOM 0 HB2 GLU A 950 6.246 8.568 -15.383 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.590 7.558 -14.887 1.00 0.00 H new ATOM 0 HG2 GLU A 950 6.859 5.844 -16.546 1.00 0.00 H new ATOM 0 HG3 GLU A 950 5.602 6.941 -17.082 1.00 0.00 H new ATOM 493 N ASP A 951 6.323 5.672 -12.373 1.00 0.00 N ATOM 494 CA ASP A 951 6.726 4.613 -11.491 1.00 0.00 C ATOM 495 C ASP A 951 5.573 4.523 -10.518 1.00 0.00 C ATOM 496 O ASP A 951 5.555 5.191 -9.487 1.00 0.00 O ATOM 497 CB ASP A 951 8.049 4.889 -10.756 1.00 0.00 C ATOM 498 CG ASP A 951 9.269 4.886 -11.664 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.746 3.797 -12.046 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.798 5.977 -11.975 1.00 0.00 O ATOM 0 H ASP A 951 5.983 6.495 -11.876 1.00 0.00 H new ATOM 0 HA ASP A 951 6.924 3.690 -12.037 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.982 5.856 -10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 951 8.185 4.138 -9.978 1.00 0.00 H new ATOM 505 N THR A 952 4.553 3.813 -10.934 1.00 0.00 N ATOM 506 CA THR A 952 3.278 3.828 -10.255 1.00 0.00 C ATOM 507 C THR A 952 3.314 3.152 -8.882 1.00 0.00 C ATOM 508 O THR A 952 2.682 3.631 -7.941 1.00 0.00 O ATOM 509 CB THR A 952 2.214 3.194 -11.169 1.00 0.00 C ATOM 510 OG1 THR A 952 2.263 3.843 -12.450 1.00 0.00 O ATOM 511 CG2 THR A 952 0.813 3.348 -10.598 1.00 0.00 C ATOM 0 H THR A 952 4.582 3.207 -11.754 1.00 0.00 H new ATOM 0 HA THR A 952 3.019 4.868 -10.054 1.00 0.00 H new ATOM 0 HB THR A 952 2.430 2.129 -11.255 1.00 0.00 H new ATOM 0 HG1 THR A 952 2.665 4.731 -12.352 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.092 2.887 -11.273 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.761 2.860 -9.624 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.580 4.407 -10.486 1.00 0.00 H new ATOM 519 N TYR A 953 4.065 2.079 -8.741 1.00 0.00 N ATOM 520 CA TYR A 953 4.076 1.361 -7.483 1.00 0.00 C ATOM 521 C TYR A 953 5.386 1.534 -6.735 1.00 0.00 C ATOM 522 O TYR A 953 6.472 1.359 -7.289 1.00 0.00 O ATOM 523 CB TYR A 953 3.661 -0.091 -7.691 1.00 0.00 C ATOM 524 CG TYR A 953 2.207 -0.147 -8.101 1.00 0.00 C ATOM 525 CD1 TYR A 953 1.209 0.079 -7.161 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.829 -0.362 -9.420 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.122 0.081 -7.519 1.00 0.00 C ATOM 528 CE2 TYR A 953 0.496 -0.355 -9.788 1.00 0.00 C ATOM 529 CZ TYR A 953 -0.475 -0.135 -8.833 1.00 0.00 C ATOM 530 OH TYR A 953 -1.805 -0.125 -9.191 1.00 0.00 O ATOM 0 H TYR A 953 4.666 1.690 -9.468 1.00 0.00 H new ATOM 0 HA TYR A 953 3.327 1.802 -6.825 1.00 0.00 H new ATOM 0 HB2 TYR A 953 4.284 -0.552 -8.458 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.813 -0.659 -6.773 1.00 0.00 H new ATOM 0 HD1 TYR A 953 1.481 0.256 -6.131 1.00 0.00 H new ATOM 0 HD2 TYR A 953 2.587 -0.537 -10.169 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -0.884 0.251 -6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 953 0.216 -0.521 -10.818 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.197 0.745 -8.969 1.00 0.00 H new ATOM 540 N THR A 954 5.260 1.869 -5.459 1.00 0.00 N ATOM 541 CA THR A 954 6.377 2.286 -4.627 1.00 0.00 C ATOM 542 C THR A 954 6.171 1.802 -3.213 1.00 0.00 C ATOM 543 O THR A 954 5.129 1.229 -2.879 1.00 0.00 O ATOM 544 CB THR A 954 6.488 3.831 -4.593 1.00 0.00 C ATOM 545 OG1 THR A 954 5.241 4.409 -4.177 1.00 0.00 O ATOM 546 CG2 THR A 954 6.897 4.404 -5.945 1.00 0.00 C ATOM 0 H THR A 954 4.367 1.858 -4.967 1.00 0.00 H new ATOM 0 HA THR A 954 7.287 1.860 -5.050 1.00 0.00 H new ATOM 0 HB THR A 954 7.267 4.085 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 954 5.412 5.252 -3.707 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.963 5.490 -5.875 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.867 4.000 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 954 6.154 4.133 -6.695 1.00 0.00 H new ATOM 554 N ASP A 955 7.138 2.107 -2.389 1.00 0.00 N ATOM 555 CA ASP A 955 7.113 1.817 -0.978 1.00 0.00 C ATOM 556 C ASP A 955 6.697 3.118 -0.307 1.00 0.00 C ATOM 557 O ASP A 955 6.599 4.136 -0.993 1.00 0.00 O ATOM 558 CB ASP A 955 8.528 1.382 -0.552 1.00 0.00 C ATOM 559 CG ASP A 955 8.742 1.295 0.945 1.00 0.00 C ATOM 560 OD1 ASP A 955 8.409 0.268 1.552 1.00 0.00 O ATOM 561 OD2 ASP A 955 9.271 2.269 1.529 1.00 0.00 O ATOM 0 H ASP A 955 7.991 2.578 -2.689 1.00 0.00 H new ATOM 0 HA ASP A 955 6.426 1.015 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 955 8.742 0.408 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 955 9.250 2.085 -0.968 1.00 0.00 H new ATOM 566 N ALA A 956 6.426 3.098 0.986 1.00 0.00 N ATOM 567 CA ALA A 956 6.124 4.319 1.735 1.00 0.00 C ATOM 568 C ALA A 956 7.207 5.389 1.516 1.00 0.00 C ATOM 569 O ALA A 956 6.917 6.592 1.487 1.00 0.00 O ATOM 570 CB ALA A 956 5.976 4.005 3.214 1.00 0.00 C ATOM 0 H ALA A 956 6.407 2.247 1.548 1.00 0.00 H new ATOM 0 HA ALA A 956 5.180 4.719 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 956 5.752 4.921 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 956 5.165 3.291 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 956 6.905 3.577 3.590 1.00 0.00 H new ATOM 576 N ASN A 957 8.443 4.951 1.314 1.00 0.00 N ATOM 577 CA ASN A 957 9.560 5.860 1.044 1.00 0.00 C ATOM 578 C ASN A 957 9.606 6.295 -0.428 1.00 0.00 C ATOM 579 O ASN A 957 10.262 7.272 -0.780 1.00 0.00 O ATOM 580 CB ASN A 957 10.890 5.212 1.440 1.00 0.00 C ATOM 581 CG ASN A 957 11.035 4.978 2.937 1.00 0.00 C ATOM 582 OD1 ASN A 957 11.541 5.835 3.667 1.00 0.00 O ATOM 583 ND2 ASN A 957 10.598 3.825 3.409 1.00 0.00 N ATOM 0 H ASN A 957 8.703 3.965 1.331 1.00 0.00 H new ATOM 0 HA ASN A 957 9.400 6.752 1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 957 10.988 4.259 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 957 11.709 5.846 1.099 1.00 0.00 H new ATOM 0 HD21 ASN A 957 10.673 3.620 4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 957 10.185 3.139 2.777 1.00 0.00 H new ATOM 590 N GLY A 958 8.887 5.599 -1.295 1.00 0.00 N ATOM 591 CA GLY A 958 8.883 5.955 -2.701 1.00 0.00 C ATOM 592 C GLY A 958 9.760 5.060 -3.520 1.00 0.00 C ATOM 593 O GLY A 958 9.863 5.239 -4.730 1.00 0.00 O ATOM 0 H GLY A 958 8.307 4.796 -1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.863 5.907 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 958 9.217 6.987 -2.812 1.00 0.00 H new ATOM 597 N ASP A 959 10.453 4.167 -2.839 1.00 0.00 N ATOM 598 CA ASP A 959 11.250 3.145 -3.496 1.00 0.00 C ATOM 599 C ASP A 959 10.356 2.354 -4.410 1.00 0.00 C ATOM 600 O ASP A 959 9.514 1.590 -3.938 1.00 0.00 O ATOM 601 CB ASP A 959 11.910 2.200 -2.494 1.00 0.00 C ATOM 602 CG ASP A 959 12.927 2.889 -1.629 1.00 0.00 C ATOM 603 OD1 ASP A 959 12.544 3.463 -0.593 1.00 0.00 O ATOM 604 OD2 ASP A 959 14.131 2.866 -1.963 1.00 0.00 O ATOM 0 H ASP A 959 10.480 4.128 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 959 12.045 3.639 -4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 959 11.142 1.755 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 959 12.391 1.384 -3.033 1.00 0.00 H new ATOM 609 N LYS A 960 10.457 2.654 -5.693 1.00 0.00 N ATOM 610 CA LYS A 960 9.684 1.973 -6.713 1.00 0.00 C ATOM 611 C LYS A 960 9.851 0.466 -6.559 1.00 0.00 C ATOM 612 O LYS A 960 10.969 -0.055 -6.450 1.00 0.00 O ATOM 613 CB LYS A 960 10.076 2.481 -8.116 1.00 0.00 C ATOM 614 CG LYS A 960 9.211 1.947 -9.260 1.00 0.00 C ATOM 615 CD LYS A 960 9.653 0.578 -9.751 1.00 0.00 C ATOM 616 CE LYS A 960 10.950 0.656 -10.535 1.00 0.00 C ATOM 617 NZ LYS A 960 10.775 1.384 -11.818 1.00 0.00 N ATOM 0 H LYS A 960 11.078 3.377 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 960 8.625 2.197 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 960 10.025 3.570 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 960 11.114 2.210 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 960 8.174 1.890 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 960 9.242 2.652 -10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 960 9.782 -0.090 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 960 8.873 0.147 -10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 960 11.709 1.156 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 960 11.315 -0.351 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 11.623 1.258 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 9.946 1.008 -12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 10.634 2.396 -11.626 1.00 0.00 H new ATOM 631 N ALA A 961 8.738 -0.215 -6.556 1.00 0.00 N ATOM 632 CA ALA A 961 8.715 -1.627 -6.287 1.00 0.00 C ATOM 633 C ALA A 961 7.910 -2.329 -7.352 1.00 0.00 C ATOM 634 O ALA A 961 7.358 -1.675 -8.243 1.00 0.00 O ATOM 635 CB ALA A 961 8.129 -1.886 -4.904 1.00 0.00 C ATOM 0 H ALA A 961 7.821 0.193 -6.740 1.00 0.00 H new ATOM 0 HA ALA A 961 9.732 -2.018 -6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 961 8.116 -2.958 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 961 8.740 -1.388 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 961 7.112 -1.497 -4.861 1.00 0.00 H new ATOM 641 N ALA A 962 7.878 -3.647 -7.278 1.00 0.00 N ATOM 642 CA ALA A 962 7.076 -4.438 -8.183 1.00 0.00 C ATOM 643 C ALA A 962 5.610 -4.114 -7.952 1.00 0.00 C ATOM 644 O ALA A 962 5.200 -3.847 -6.817 1.00 0.00 O ATOM 645 CB ALA A 962 7.341 -5.921 -7.966 1.00 0.00 C ATOM 0 H ALA A 962 8.403 -4.192 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 962 7.340 -4.199 -9.213 1.00 0.00 H new ATOM 0 HB1 ALA A 962 6.730 -6.504 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 962 8.395 -6.133 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 962 7.088 -6.189 -6.940 1.00 0.00 H new ATOM 651 N SER A 963 4.833 -4.114 -9.014 1.00 0.00 N ATOM 652 CA SER A 963 3.426 -3.797 -8.918 1.00 0.00 C ATOM 653 C SER A 963 2.702 -4.922 -8.165 1.00 0.00 C ATOM 654 O SER A 963 3.224 -6.031 -8.094 1.00 0.00 O ATOM 655 CB SER A 963 2.853 -3.640 -10.321 1.00 0.00 C ATOM 656 OG SER A 963 3.756 -2.957 -11.178 1.00 0.00 O ATOM 0 H SER A 963 5.155 -4.331 -9.957 1.00 0.00 H new ATOM 0 HA SER A 963 3.288 -2.864 -8.372 1.00 0.00 H new ATOM 0 HB2 SER A 963 2.629 -4.623 -10.736 1.00 0.00 H new ATOM 0 HB3 SER A 963 1.912 -3.093 -10.272 1.00 0.00 H new ATOM 0 HG SER A 963 3.360 -2.874 -12.071 1.00 0.00 H new ATOM 662 N PRO A 964 1.504 -4.657 -7.599 1.00 0.00 N ATOM 663 CA PRO A 964 0.716 -5.649 -6.833 1.00 0.00 C ATOM 664 C PRO A 964 0.466 -6.971 -7.565 1.00 0.00 C ATOM 665 O PRO A 964 0.207 -7.996 -6.934 1.00 0.00 O ATOM 666 CB PRO A 964 -0.601 -4.931 -6.569 1.00 0.00 C ATOM 667 CG PRO A 964 -0.271 -3.487 -6.624 1.00 0.00 C ATOM 668 CD PRO A 964 0.832 -3.352 -7.626 1.00 0.00 C ATOM 0 HA PRO A 964 1.257 -5.953 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -1.350 -5.193 -7.317 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -1.011 -5.205 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -1.140 -2.899 -6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 964 0.043 -3.121 -5.646 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.443 -3.125 -8.619 1.00 0.00 H new ATOM 0 HD3 PRO A 964 1.516 -2.546 -7.360 1.00 0.00 H new ATOM 676 N SER A 965 0.562 -6.945 -8.880 1.00 0.00 N ATOM 677 CA SER A 965 0.438 -8.141 -9.679 1.00 0.00 C ATOM 678 C SER A 965 1.683 -9.018 -9.469 1.00 0.00 C ATOM 679 O SER A 965 1.587 -10.195 -9.109 1.00 0.00 O ATOM 680 CB SER A 965 0.244 -7.728 -11.141 1.00 0.00 C ATOM 681 OG SER A 965 1.128 -6.663 -11.492 1.00 0.00 O ATOM 0 H SER A 965 0.728 -6.096 -9.420 1.00 0.00 H new ATOM 0 HA SER A 965 -0.427 -8.734 -9.382 1.00 0.00 H new ATOM 0 HB2 SER A 965 0.423 -8.584 -11.792 1.00 0.00 H new ATOM 0 HB3 SER A 965 -0.788 -7.417 -11.301 1.00 0.00 H new ATOM 0 HG SER A 965 1.703 -6.946 -12.233 1.00 0.00 H new ATOM 687 N GLU A 966 2.845 -8.413 -9.673 1.00 0.00 N ATOM 688 CA GLU A 966 4.128 -9.070 -9.451 1.00 0.00 C ATOM 689 C GLU A 966 4.372 -9.324 -7.962 1.00 0.00 C ATOM 690 O GLU A 966 5.142 -10.224 -7.600 1.00 0.00 O ATOM 691 CB GLU A 966 5.296 -8.265 -10.042 1.00 0.00 C ATOM 692 CG GLU A 966 5.317 -8.155 -11.568 1.00 0.00 C ATOM 693 CD GLU A 966 4.174 -7.343 -12.137 1.00 0.00 C ATOM 694 OE1 GLU A 966 4.241 -6.102 -12.100 1.00 0.00 O ATOM 695 OE2 GLU A 966 3.170 -7.930 -12.600 1.00 0.00 O ATOM 0 H GLU A 966 2.926 -7.450 -9.998 1.00 0.00 H new ATOM 0 HA GLU A 966 4.081 -10.028 -9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 966 5.269 -7.259 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 966 6.230 -8.721 -9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 966 6.260 -7.704 -11.878 1.00 0.00 H new ATOM 0 HG3 GLU A 966 5.287 -9.157 -11.996 1.00 0.00 H new ATOM 702 N LEU A 967 3.734 -8.523 -7.106 1.00 0.00 N ATOM 703 CA LEU A 967 3.799 -8.721 -5.672 1.00 0.00 C ATOM 704 C LEU A 967 3.165 -10.057 -5.337 1.00 0.00 C ATOM 705 O LEU A 967 1.953 -10.259 -5.458 1.00 0.00 O ATOM 706 CB LEU A 967 3.121 -7.571 -4.918 1.00 0.00 C ATOM 707 CG LEU A 967 3.938 -6.277 -4.817 1.00 0.00 C ATOM 708 CD1 LEU A 967 3.130 -5.179 -4.147 1.00 0.00 C ATOM 709 CD2 LEU A 967 5.221 -6.521 -4.036 1.00 0.00 C ATOM 0 H LEU A 967 3.164 -7.727 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 967 4.841 -8.727 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 967 2.174 -7.345 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.884 -7.910 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 967 4.190 -5.957 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.730 -4.271 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 967 2.231 -4.981 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.849 -5.496 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.790 -5.594 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.976 -6.865 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.817 -7.279 -4.544 1.00 0.00 H new ATOM 721 N THR A 968 4.004 -10.960 -4.911 1.00 0.00 N ATOM 722 CA THR A 968 3.619 -12.330 -4.728 1.00 0.00 C ATOM 723 C THR A 968 4.033 -12.828 -3.359 1.00 0.00 C ATOM 724 O THR A 968 4.755 -12.138 -2.632 1.00 0.00 O ATOM 725 CB THR A 968 4.234 -13.186 -5.849 1.00 0.00 C ATOM 726 OG1 THR A 968 5.565 -12.725 -6.123 1.00 0.00 O ATOM 727 CG2 THR A 968 3.403 -13.107 -7.122 1.00 0.00 C ATOM 0 H THR A 968 4.978 -10.765 -4.680 1.00 0.00 H new ATOM 0 HA THR A 968 2.533 -12.410 -4.783 1.00 0.00 H new ATOM 0 HB THR A 968 4.254 -14.224 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 968 5.524 -11.908 -6.663 1.00 0.00 H new ATOM 0 HG21 THR A 968 3.863 -13.722 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.395 -13.470 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 968 3.355 -12.072 -7.462 1.00 0.00 H new ATOM 735 N CYS A 969 3.549 -13.994 -2.997 1.00 0.00 N ATOM 736 CA CYS A 969 3.854 -14.563 -1.707 1.00 0.00 C ATOM 737 C CYS A 969 5.144 -15.364 -1.757 1.00 0.00 C ATOM 738 O CYS A 969 5.456 -15.997 -2.772 1.00 0.00 O ATOM 739 CB CYS A 969 2.699 -15.447 -1.248 1.00 0.00 C ATOM 740 SG CYS A 969 2.228 -16.708 -2.446 1.00 0.00 S ATOM 0 H CYS A 969 2.940 -14.568 -3.581 1.00 0.00 H new ATOM 0 HA CYS A 969 3.990 -13.751 -0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.975 -15.933 -0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.834 -14.818 -1.037 1.00 0.00 H new ATOM 0 HG CYS A 969 1.243 -17.411 -1.971 1.00 0.00 H new ATOM 746 N PRO A 970 5.933 -15.304 -0.681 1.00 0.00 N ATOM 747 CA PRO A 970 7.141 -16.120 -0.539 1.00 0.00 C ATOM 748 C PRO A 970 6.760 -17.570 -0.214 1.00 0.00 C ATOM 749 O PRO A 970 5.574 -17.855 -0.054 1.00 0.00 O ATOM 750 CB PRO A 970 7.847 -15.446 0.634 1.00 0.00 C ATOM 751 CG PRO A 970 6.755 -14.906 1.460 1.00 0.00 C ATOM 752 CD PRO A 970 5.721 -14.428 0.484 1.00 0.00 C ATOM 0 HA PRO A 970 7.760 -16.174 -1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.454 -16.158 1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 970 8.516 -14.655 0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.348 -15.670 2.122 1.00 0.00 H new ATOM 0 HG3 PRO A 970 7.106 -14.090 2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.712 -14.527 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.862 -13.377 0.230 1.00 0.00 H new ATOM 760 N PRO A 971 7.719 -18.512 -0.129 1.00 0.00 N ATOM 761 CA PRO A 971 7.405 -19.916 0.172 1.00 0.00 C ATOM 762 C PRO A 971 6.575 -20.117 1.444 1.00 0.00 C ATOM 763 O PRO A 971 5.602 -20.873 1.435 1.00 0.00 O ATOM 764 CB PRO A 971 8.777 -20.579 0.308 1.00 0.00 C ATOM 765 CG PRO A 971 9.692 -19.720 -0.494 1.00 0.00 C ATOM 766 CD PRO A 971 9.165 -18.317 -0.367 1.00 0.00 C ATOM 0 HA PRO A 971 6.781 -20.345 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 971 9.092 -20.628 1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.762 -21.602 -0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 971 10.715 -19.787 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 971 9.710 -20.037 -1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 971 9.639 -17.783 0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 971 9.348 -17.736 -1.271 1.00 0.00 H new ATOM 774 N GLY A 972 6.938 -19.445 2.519 1.00 0.00 N ATOM 775 CA GLY A 972 6.218 -19.620 3.760 1.00 0.00 C ATOM 776 C GLY A 972 4.892 -18.899 3.773 1.00 0.00 C ATOM 777 O GLY A 972 3.895 -19.441 4.232 1.00 0.00 O ATOM 0 H GLY A 972 7.714 -18.784 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 972 6.050 -20.683 3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 972 6.831 -19.258 4.585 1.00 0.00 H new ATOM 781 N TRP A 973 4.878 -17.659 3.326 1.00 0.00 N ATOM 782 CA TRP A 973 3.648 -16.871 3.310 1.00 0.00 C ATOM 783 C TRP A 973 2.668 -17.210 2.189 1.00 0.00 C ATOM 784 O TRP A 973 3.036 -17.549 1.070 1.00 0.00 O ATOM 785 CB TRP A 973 3.995 -15.388 3.315 1.00 0.00 C ATOM 786 CG TRP A 973 4.595 -14.938 4.610 1.00 0.00 C ATOM 787 CD1 TRP A 973 5.920 -14.809 4.922 1.00 0.00 C ATOM 788 CD2 TRP A 973 3.875 -14.586 5.782 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.051 -14.374 6.216 1.00 0.00 N ATOM 790 CE2 TRP A 973 4.810 -14.232 6.765 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.528 -14.532 6.086 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.430 -13.826 8.041 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.149 -14.143 7.345 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.093 -13.792 8.316 1.00 0.00 C ATOM 0 H TRP A 973 5.699 -17.171 2.968 1.00 0.00 H new ATOM 0 HA TRP A 973 3.108 -17.139 4.218 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.693 -15.180 2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 973 3.094 -14.808 3.116 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.740 -15.018 4.251 1.00 0.00 H new ATOM 0 HE1 TRP A 973 6.934 -14.187 6.691 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.787 -14.792 5.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.163 -13.549 8.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.098 -14.107 7.593 1.00 0.00 H new ATOM 0 HH2 TRP A 973 2.759 -13.490 9.298 1.00 0.00 H new ATOM 805 N GLU A 974 1.409 -17.096 2.548 1.00 0.00 N ATOM 806 CA GLU A 974 0.248 -17.366 1.720 1.00 0.00 C ATOM 807 C GLU A 974 -0.600 -16.092 1.768 1.00 0.00 C ATOM 808 O GLU A 974 -0.453 -15.320 2.699 1.00 0.00 O ATOM 809 CB GLU A 974 -0.470 -18.560 2.383 1.00 0.00 C ATOM 810 CG GLU A 974 -1.918 -18.809 2.001 1.00 0.00 C ATOM 811 CD GLU A 974 -2.097 -19.391 0.618 1.00 0.00 C ATOM 812 OE1 GLU A 974 -2.107 -18.637 -0.373 1.00 0.00 O ATOM 813 OE2 GLU A 974 -2.253 -20.623 0.502 1.00 0.00 O ATOM 0 H GLU A 974 1.149 -16.793 3.486 1.00 0.00 H new ATOM 0 HA GLU A 974 0.469 -17.612 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 974 0.098 -19.462 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.427 -18.421 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -2.364 -19.486 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -2.466 -17.869 2.062 1.00 0.00 H new ATOM 820 N TRP A 975 -1.347 -15.763 0.743 1.00 0.00 N ATOM 821 CA TRP A 975 -2.279 -14.640 0.868 1.00 0.00 C ATOM 822 C TRP A 975 -3.618 -15.083 1.459 1.00 0.00 C ATOM 823 O TRP A 975 -4.004 -16.248 1.347 1.00 0.00 O ATOM 824 CB TRP A 975 -2.490 -13.943 -0.481 1.00 0.00 C ATOM 825 CG TRP A 975 -1.236 -13.374 -1.027 1.00 0.00 C ATOM 826 CD1 TRP A 975 -0.490 -13.888 -2.026 1.00 0.00 C ATOM 827 CD2 TRP A 975 -0.570 -12.187 -0.588 1.00 0.00 C ATOM 828 NE1 TRP A 975 0.602 -13.104 -2.239 1.00 0.00 N ATOM 829 CE2 TRP A 975 0.586 -12.054 -1.365 1.00 0.00 C ATOM 830 CE3 TRP A 975 -0.840 -11.231 0.387 1.00 0.00 C ATOM 831 CZ2 TRP A 975 1.482 -11.001 -1.193 1.00 0.00 C ATOM 832 CZ3 TRP A 975 0.044 -10.185 0.553 1.00 0.00 C ATOM 833 CH2 TRP A 975 1.195 -10.080 -0.230 1.00 0.00 C ATOM 0 H TRP A 975 -1.340 -16.231 -0.163 1.00 0.00 H new ATOM 0 HA TRP A 975 -1.830 -13.924 1.557 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -2.902 -14.656 -1.194 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.226 -13.147 -0.364 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -0.724 -14.788 -2.575 1.00 0.00 H new ATOM 0 HE1 TRP A 975 1.321 -13.274 -2.942 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -1.725 -11.307 1.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 2.371 -10.918 -1.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.158 -9.434 1.302 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.871 -9.253 -0.070 1.00 0.00 H new ATOM 844 N GLU A 976 -4.338 -14.147 2.059 1.00 0.00 N ATOM 845 CA GLU A 976 -5.641 -14.462 2.630 1.00 0.00 C ATOM 846 C GLU A 976 -6.698 -13.599 1.956 1.00 0.00 C ATOM 847 O GLU A 976 -7.759 -14.080 1.561 1.00 0.00 O ATOM 848 CB GLU A 976 -5.715 -14.211 4.139 1.00 0.00 C ATOM 849 CG GLU A 976 -7.063 -14.642 4.711 1.00 0.00 C ATOM 850 CD GLU A 976 -7.303 -14.199 6.129 1.00 0.00 C ATOM 851 OE1 GLU A 976 -6.949 -14.915 7.061 1.00 0.00 O ATOM 852 OE2 GLU A 976 -7.882 -13.118 6.337 1.00 0.00 O ATOM 0 H GLU A 976 -4.048 -13.175 2.163 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.811 -15.525 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -4.915 -14.756 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.554 -13.152 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -7.857 -14.244 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -7.133 -15.729 4.665 1.00 0.00 H new ATOM 859 N ASP A 977 -6.377 -12.323 1.815 1.00 0.00 N ATOM 860 CA ASP A 977 -7.298 -11.336 1.256 1.00 0.00 C ATOM 861 C ASP A 977 -7.340 -11.430 -0.239 1.00 0.00 C ATOM 862 O ASP A 977 -6.395 -11.911 -0.865 1.00 0.00 O ATOM 863 CB ASP A 977 -6.906 -9.909 1.623 1.00 0.00 C ATOM 864 CG ASP A 977 -7.114 -9.596 3.086 1.00 0.00 C ATOM 865 OD1 ASP A 977 -6.586 -10.317 3.949 1.00 0.00 O ATOM 866 OD2 ASP A 977 -7.854 -8.641 3.401 1.00 0.00 O ATOM 0 H ASP A 977 -5.471 -11.938 2.084 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.276 -11.561 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.858 -9.749 1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -7.490 -9.212 1.022 1.00 0.00 H new ATOM 871 N ASP A 978 -8.424 -10.955 -0.809 1.00 0.00 N ATOM 872 CA ASP A 978 -8.566 -10.935 -2.243 1.00 0.00 C ATOM 873 C ASP A 978 -8.008 -9.665 -2.818 1.00 0.00 C ATOM 874 O ASP A 978 -8.578 -8.583 -2.622 1.00 0.00 O ATOM 875 CB ASP A 978 -10.012 -11.096 -2.701 1.00 0.00 C ATOM 876 CG ASP A 978 -10.499 -12.512 -2.590 1.00 0.00 C ATOM 877 OD1 ASP A 978 -10.023 -13.368 -3.366 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.364 -12.792 -1.734 1.00 0.00 O ATOM 0 H ASP A 978 -9.221 -10.577 -0.298 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.002 -11.792 -2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.653 -10.448 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.100 -10.765 -3.736 1.00 0.00 H new ATOM 883 N ALA A 979 -6.892 -9.826 -3.515 1.00 0.00 N ATOM 884 CA ALA A 979 -6.230 -8.765 -4.254 1.00 0.00 C ATOM 885 C ALA A 979 -5.848 -7.570 -3.397 1.00 0.00 C ATOM 886 O ALA A 979 -6.068 -7.519 -2.187 1.00 0.00 O ATOM 887 CB ALA A 979 -7.094 -8.323 -5.432 1.00 0.00 C ATOM 0 H ALA A 979 -6.411 -10.723 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 979 -5.293 -9.185 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -6.586 -7.527 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -7.262 -9.169 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -8.052 -7.956 -5.063 1.00 0.00 H new ATOM 893 N TRP A 980 -5.198 -6.649 -4.039 1.00 0.00 N ATOM 894 CA TRP A 980 -4.821 -5.430 -3.395 1.00 0.00 C ATOM 895 C TRP A 980 -5.947 -4.459 -3.585 1.00 0.00 C ATOM 896 O TRP A 980 -6.355 -4.163 -4.705 1.00 0.00 O ATOM 897 CB TRP A 980 -3.509 -4.888 -3.932 1.00 0.00 C ATOM 898 CG TRP A 980 -2.415 -5.906 -3.871 1.00 0.00 C ATOM 899 CD1 TRP A 980 -2.257 -6.977 -4.699 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.331 -5.958 -2.937 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.143 -7.681 -4.350 1.00 0.00 N ATOM 902 CE2 TRP A 980 -0.553 -7.080 -3.274 1.00 0.00 C ATOM 903 CE3 TRP A 980 -0.939 -5.166 -1.855 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.593 -7.429 -2.572 1.00 0.00 C ATOM 905 CZ3 TRP A 980 0.199 -5.515 -1.157 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.954 -6.637 -1.519 1.00 0.00 C ATOM 0 H TRP A 980 -4.916 -6.720 -5.017 1.00 0.00 H new ATOM 0 HA TRP A 980 -4.649 -5.603 -2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -3.646 -4.564 -4.964 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.218 -4.008 -3.358 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -2.919 -7.231 -5.514 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -0.804 -8.522 -4.817 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.515 -4.298 -1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 1.177 -8.294 -2.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.513 -4.912 -0.317 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.841 -6.882 -0.954 1.00 0.00 H new ATOM 917 N SER A 981 -6.476 -4.013 -2.490 1.00 0.00 N ATOM 918 CA SER A 981 -7.623 -3.135 -2.492 1.00 0.00 C ATOM 919 C SER A 981 -7.254 -1.908 -1.686 1.00 0.00 C ATOM 920 O SER A 981 -6.571 -2.033 -0.698 1.00 0.00 O ATOM 921 CB SER A 981 -8.819 -3.861 -1.875 1.00 0.00 C ATOM 922 OG SER A 981 -9.079 -5.072 -2.573 1.00 0.00 O ATOM 0 H SER A 981 -6.129 -4.244 -1.559 1.00 0.00 H new ATOM 0 HA SER A 981 -7.899 -2.841 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 981 -8.620 -4.075 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 981 -9.699 -3.219 -1.908 1.00 0.00 H new ATOM 0 HG SER A 981 -9.846 -5.526 -2.166 1.00 0.00 H new ATOM 928 N TYR A 982 -7.736 -0.758 -2.056 1.00 0.00 N ATOM 929 CA TYR A 982 -7.327 0.467 -1.388 1.00 0.00 C ATOM 930 C TYR A 982 -7.956 0.544 -0.018 1.00 0.00 C ATOM 931 O TYR A 982 -9.141 0.252 0.169 1.00 0.00 O ATOM 932 CB TYR A 982 -7.635 1.707 -2.233 1.00 0.00 C ATOM 933 CG TYR A 982 -8.934 1.607 -2.977 1.00 0.00 C ATOM 934 CD1 TYR A 982 -8.977 0.954 -4.192 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.101 2.152 -2.478 1.00 0.00 C ATOM 936 CE1 TYR A 982 -10.152 0.836 -4.896 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.289 2.041 -3.172 1.00 0.00 C ATOM 938 CZ TYR A 982 -11.309 1.379 -4.382 1.00 0.00 C ATOM 939 OH TYR A 982 -12.486 1.254 -5.085 1.00 0.00 O ATOM 0 H TYR A 982 -8.410 -0.631 -2.811 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.244 0.445 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.661 2.583 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -6.826 1.863 -2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -8.071 0.528 -4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.084 2.672 -1.532 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -10.168 0.321 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.196 2.469 -2.771 1.00 0.00 H new ATOM 0 HH TYR A 982 -13.211 1.689 -4.589 1.00 0.00 H new ATOM 949 N ASP A 983 -7.132 0.912 0.931 1.00 0.00 N ATOM 950 CA ASP A 983 -7.480 0.847 2.331 1.00 0.00 C ATOM 951 C ASP A 983 -8.216 2.089 2.780 1.00 0.00 C ATOM 952 O ASP A 983 -7.814 3.212 2.471 1.00 0.00 O ATOM 953 CB ASP A 983 -6.219 0.658 3.169 1.00 0.00 C ATOM 954 CG ASP A 983 -6.520 0.589 4.644 1.00 0.00 C ATOM 955 OD1 ASP A 983 -6.980 -0.469 5.112 1.00 0.00 O ATOM 956 OD2 ASP A 983 -6.306 1.584 5.354 1.00 0.00 O ATOM 0 H ASP A 983 -6.193 1.268 0.754 1.00 0.00 H new ATOM 0 HA ASP A 983 -8.146 -0.004 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.713 -0.257 2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.531 1.482 2.978 1.00 0.00 H new ATOM 961 N ILE A 984 -9.297 1.866 3.498 1.00 0.00 N ATOM 962 CA ILE A 984 -10.093 2.939 4.056 1.00 0.00 C ATOM 963 C ILE A 984 -10.036 2.927 5.581 1.00 0.00 C ATOM 964 O ILE A 984 -10.868 3.529 6.255 1.00 0.00 O ATOM 965 CB ILE A 984 -11.563 2.903 3.542 1.00 0.00 C ATOM 966 CG1 ILE A 984 -12.129 1.471 3.411 1.00 0.00 C ATOM 967 CG2 ILE A 984 -11.677 3.630 2.212 1.00 0.00 C ATOM 968 CD1 ILE A 984 -12.309 0.713 4.706 1.00 0.00 C ATOM 0 H ILE A 984 -9.649 0.933 3.712 1.00 0.00 H new ATOM 0 HA ILE A 984 -9.659 3.878 3.711 1.00 0.00 H new ATOM 0 HB ILE A 984 -12.164 3.412 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -13.094 1.527 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.465 0.896 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -12.710 3.596 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -11.370 4.668 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -11.032 3.148 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -12.711 -0.278 4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -11.346 0.614 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -13.000 1.255 5.352 1.00 0.00 H new ATOM 980 N ASN A 985 -8.994 2.309 6.121 1.00 0.00 N ATOM 981 CA ASN A 985 -8.819 2.191 7.564 1.00 0.00 C ATOM 982 C ASN A 985 -7.748 3.175 8.010 1.00 0.00 C ATOM 983 O ASN A 985 -7.056 2.975 9.014 1.00 0.00 O ATOM 984 CB ASN A 985 -8.406 0.767 7.968 1.00 0.00 C ATOM 985 CG ASN A 985 -9.416 -0.307 7.607 1.00 0.00 C ATOM 986 OD1 ASN A 985 -10.356 -0.575 8.360 1.00 0.00 O ATOM 987 ND2 ASN A 985 -9.196 -0.978 6.497 1.00 0.00 N ATOM 0 H ASN A 985 -8.249 1.877 5.575 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.770 2.413 8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -7.455 0.529 7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -8.238 0.743 9.045 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -9.813 -1.747 6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -8.409 -0.729 5.898 1.00 0.00 H new ATOM 994 N ARG A 986 -7.667 4.272 7.285 1.00 0.00 N ATOM 995 CA ARG A 986 -6.693 5.320 7.517 1.00 0.00 C ATOM 996 C ARG A 986 -7.408 6.647 7.393 1.00 0.00 C ATOM 997 O ARG A 986 -8.614 6.685 7.127 1.00 0.00 O ATOM 998 CB ARG A 986 -5.569 5.298 6.471 1.00 0.00 C ATOM 999 CG ARG A 986 -4.575 4.160 6.563 1.00 0.00 C ATOM 1000 CD ARG A 986 -3.591 4.211 5.396 1.00 0.00 C ATOM 1001 NE ARG A 986 -2.824 5.470 5.334 1.00 0.00 N ATOM 1002 CZ ARG A 986 -2.186 5.930 4.239 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -2.259 5.270 3.090 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -1.490 7.056 4.297 1.00 0.00 N ATOM 0 H ARG A 986 -8.290 4.464 6.501 1.00 0.00 H new ATOM 0 HA ARG A 986 -6.252 5.171 8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -6.026 5.271 5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -5.019 6.236 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -4.032 4.219 7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -5.104 3.207 6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -2.897 3.375 5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -4.138 4.081 4.462 1.00 0.00 H new ATOM 0 HE ARG A 986 -2.773 6.034 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -2.801 4.408 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -1.773 5.625 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -1.436 7.578 5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -1.008 7.401 3.467 1.00 0.00 H new ATOM 1018 N ALA A 987 -6.669 7.721 7.565 1.00 0.00 N ATOM 1019 CA ALA A 987 -7.191 9.036 7.287 1.00 0.00 C ATOM 1020 C ALA A 987 -7.075 9.241 5.788 1.00 0.00 C ATOM 1021 O ALA A 987 -6.069 9.720 5.296 1.00 0.00 O ATOM 1022 CB ALA A 987 -6.435 10.111 8.060 1.00 0.00 C ATOM 0 H ALA A 987 -5.704 7.707 7.896 1.00 0.00 H new ATOM 0 HA ALA A 987 -8.230 9.116 7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -6.854 11.090 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.527 9.922 9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -5.383 10.091 7.777 1.00 0.00 H new ATOM 1028 N VAL A 988 -8.063 8.748 5.069 1.00 0.00 N ATOM 1029 CA VAL A 988 -8.037 8.745 3.618 1.00 0.00 C ATOM 1030 C VAL A 988 -9.116 9.606 2.980 1.00 0.00 C ATOM 1031 O VAL A 988 -9.928 10.256 3.648 1.00 0.00 O ATOM 1032 CB VAL A 988 -8.128 7.304 3.055 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -6.826 6.563 3.303 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -9.303 6.547 3.666 1.00 0.00 C ATOM 0 H VAL A 988 -8.906 8.338 5.472 1.00 0.00 H new ATOM 0 HA VAL A 988 -7.076 9.187 3.353 1.00 0.00 H new ATOM 0 HB VAL A 988 -8.297 7.367 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -6.901 5.552 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -6.009 7.088 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -6.632 6.516 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -9.341 5.539 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -9.177 6.491 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -10.232 7.069 3.436 1.00 0.00 H new ATOM 1044 N ASP A 989 -9.087 9.566 1.667 1.00 0.00 N ATOM 1045 CA ASP A 989 -10.004 10.243 0.756 1.00 0.00 C ATOM 1046 C ASP A 989 -11.353 9.503 0.775 1.00 0.00 C ATOM 1047 O ASP A 989 -11.476 8.494 1.470 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.321 10.176 -0.625 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.167 10.545 -1.820 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -10.855 9.658 -2.351 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -10.131 11.704 -2.268 1.00 0.00 O ATOM 0 H ASP A 989 -8.380 9.027 1.168 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.208 11.279 1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.452 10.834 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -8.949 9.162 -0.772 1.00 0.00 H new ATOM 1056 N GLU A 990 -12.352 9.968 0.020 1.00 0.00 N ATOM 1057 CA GLU A 990 -13.652 9.305 -0.040 1.00 0.00 C ATOM 1058 C GLU A 990 -13.539 7.893 -0.528 1.00 0.00 C ATOM 1059 O GLU A 990 -14.320 7.015 -0.148 1.00 0.00 O ATOM 1060 CB GLU A 990 -14.624 10.034 -0.953 1.00 0.00 C ATOM 1061 CG GLU A 990 -15.037 11.365 -0.413 1.00 0.00 C ATOM 1062 CD GLU A 990 -16.209 11.955 -1.158 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -16.045 12.426 -2.304 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -17.333 11.940 -0.605 1.00 0.00 O ATOM 0 H GLU A 990 -12.282 10.805 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 990 -14.029 9.315 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -14.164 10.171 -1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -15.510 9.416 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -15.296 11.261 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -14.193 12.053 -0.467 1.00 0.00 H new ATOM 1071 N LYS A 991 -12.579 7.682 -1.372 1.00 0.00 N ATOM 1072 CA LYS A 991 -12.437 6.407 -1.990 1.00 0.00 C ATOM 1073 C LYS A 991 -11.315 5.643 -1.306 1.00 0.00 C ATOM 1074 O LYS A 991 -11.456 4.472 -0.977 1.00 0.00 O ATOM 1075 CB LYS A 991 -12.200 6.641 -3.473 1.00 0.00 C ATOM 1076 CG LYS A 991 -13.223 7.627 -4.019 1.00 0.00 C ATOM 1077 CD LYS A 991 -14.623 7.046 -4.057 1.00 0.00 C ATOM 1078 CE LYS A 991 -15.653 8.122 -4.349 1.00 0.00 C ATOM 1079 NZ LYS A 991 -17.033 7.578 -4.367 1.00 0.00 N ATOM 0 H LYS A 991 -11.884 8.376 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 991 -13.331 5.792 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -11.193 7.026 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -12.269 5.697 -4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -13.222 8.526 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.931 7.930 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -14.677 6.270 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -14.849 6.571 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -15.582 8.906 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -15.432 8.584 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -17.706 8.345 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -17.109 6.847 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -17.253 7.160 -3.441 1.00 0.00 H new ATOM 1093 N GLY A 992 -10.222 6.341 -1.073 1.00 0.00 N ATOM 1094 CA GLY A 992 -9.099 5.772 -0.362 1.00 0.00 C ATOM 1095 C GLY A 992 -7.811 6.183 -0.987 1.00 0.00 C ATOM 1096 O GLY A 992 -7.198 5.418 -1.712 1.00 0.00 O ATOM 0 H GLY A 992 -10.089 7.308 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -9.122 6.094 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -9.177 4.685 -0.361 1.00 0.00 H new ATOM 1100 N TRP A 993 -7.451 7.424 -0.738 1.00 0.00 N ATOM 1101 CA TRP A 993 -6.236 8.033 -1.240 1.00 0.00 C ATOM 1102 C TRP A 993 -5.648 8.879 -0.122 1.00 0.00 C ATOM 1103 O TRP A 993 -6.259 8.984 0.939 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.526 8.921 -2.455 1.00 0.00 C ATOM 1105 CG TRP A 993 -7.140 8.213 -3.629 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.458 7.892 -3.804 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -6.464 7.769 -4.808 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -8.631 7.261 -5.005 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -7.429 7.181 -5.645 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -5.135 7.812 -5.236 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -7.107 6.641 -6.883 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -4.817 7.280 -6.465 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -5.801 6.702 -7.272 1.00 0.00 C ATOM 0 H TRP A 993 -8.011 8.055 -0.165 1.00 0.00 H new ATOM 0 HA TRP A 993 -5.540 7.256 -1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.193 9.726 -2.146 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -5.594 9.385 -2.777 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -9.246 8.105 -3.097 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -9.517 6.907 -5.365 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -4.371 8.255 -4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -7.860 6.191 -7.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -3.794 7.310 -6.810 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -5.519 6.292 -8.231 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.525 9.519 -0.375 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.839 10.309 0.625 1.00 0.00 C ATOM 1126 C GLU A 994 -3.221 11.551 0.005 1.00 0.00 C ATOM 1127 O GLU A 994 -2.884 11.599 -1.192 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.800 9.473 1.381 1.00 0.00 C ATOM 1129 CG GLU A 994 -1.746 8.824 0.502 1.00 0.00 C ATOM 1130 CD GLU A 994 -1.082 7.634 1.159 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -0.172 7.819 1.990 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -1.471 6.484 0.870 1.00 0.00 O ATOM 0 H GLU A 994 -4.061 9.505 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.576 10.640 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -2.302 10.111 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -3.318 8.693 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.206 8.506 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -0.986 9.563 0.248 1.00 0.00 H new ATOM 1139 N TYR A 995 -3.088 12.532 0.861 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.646 13.893 0.527 1.00 0.00 C ATOM 1141 C TYR A 995 -1.121 14.001 0.431 1.00 0.00 C ATOM 1142 O TYR A 995 -0.465 13.972 1.447 1.00 0.00 O ATOM 1143 CB TYR A 995 -3.195 14.820 1.638 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.761 16.282 1.695 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -1.508 16.654 2.179 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -3.630 17.291 1.323 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -1.135 17.978 2.272 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -3.269 18.617 1.420 1.00 0.00 C ATOM 1149 CZ TYR A 995 -2.021 18.958 1.890 1.00 0.00 C ATOM 1150 OH TYR A 995 -1.672 20.284 1.996 1.00 0.00 O ATOM 0 H TYR A 995 -3.289 12.416 1.854 1.00 0.00 H new ATOM 0 HA TYR A 995 -3.024 14.179 -0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.282 14.807 1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -2.936 14.367 2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -0.813 15.887 2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -4.610 17.035 0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -0.156 18.243 2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -3.965 19.389 1.127 1.00 0.00 H new ATOM 0 HH TYR A 995 -1.243 20.577 1.165 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.552 14.076 -0.769 1.00 0.00 N ATOM 1161 CA GLY A 996 0.878 14.338 -0.844 1.00 0.00 C ATOM 1162 C GLY A 996 1.213 15.484 -1.774 1.00 0.00 C ATOM 1163 O GLY A 996 0.970 15.423 -2.964 1.00 0.00 O ATOM 0 H GLY A 996 -1.033 13.965 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.255 14.563 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.391 13.438 -1.183 1.00 0.00 H new ATOM 1167 N ILE A 997 1.771 16.543 -1.272 1.00 0.00 N ATOM 1168 CA ILE A 997 2.076 17.648 -2.154 1.00 0.00 C ATOM 1169 C ILE A 997 3.571 17.746 -2.339 1.00 0.00 C ATOM 1170 O ILE A 997 4.352 17.304 -1.499 1.00 0.00 O ATOM 1171 CB ILE A 997 1.541 18.999 -1.637 1.00 0.00 C ATOM 1172 CG1 ILE A 997 2.404 19.446 -0.450 1.00 0.00 C ATOM 1173 CG2 ILE A 997 0.057 18.903 -1.299 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.685 20.196 0.652 1.00 0.00 C ATOM 0 H ILE A 997 2.021 16.674 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 997 1.578 17.444 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 997 1.616 19.760 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 997 2.873 18.563 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 997 3.207 20.079 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -0.297 19.868 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -0.502 18.623 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -0.092 18.149 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 997 2.395 20.460 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 997 1.240 21.104 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 997 0.901 19.565 1.070 1.00 0.00 H new ATOM 1186 N THR A 998 3.965 18.212 -3.478 1.00 0.00 N ATOM 1187 CA THR A 998 5.344 18.467 -3.727 1.00 0.00 C ATOM 1188 C THR A 998 5.461 19.781 -4.472 1.00 0.00 C ATOM 1189 O THR A 998 4.936 19.914 -5.578 1.00 0.00 O ATOM 1190 CB THR A 998 5.913 17.335 -4.574 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.623 16.094 -3.927 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.415 17.476 -4.789 1.00 0.00 C ATOM 0 H THR A 998 3.343 18.426 -4.258 1.00 0.00 H new ATOM 0 HA THR A 998 5.899 18.525 -2.791 1.00 0.00 H new ATOM 0 HB THR A 998 5.448 17.372 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.124 15.514 -4.540 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.775 16.647 -5.398 1.00 0.00 H new ATOM 0 HG22 THR A 998 7.623 18.417 -5.298 1.00 0.00 H new ATOM 0 HG23 THR A 998 7.923 17.465 -3.825 1.00 0.00 H new ATOM 1200 N ILE A 999 6.084 20.745 -3.850 1.00 0.00 N ATOM 1201 CA ILE A 999 6.306 22.018 -4.489 1.00 0.00 C ATOM 1202 C ILE A 999 7.742 22.010 -4.977 1.00 0.00 C ATOM 1203 O ILE A 999 8.674 22.021 -4.168 1.00 0.00 O ATOM 1204 CB ILE A 999 6.041 23.251 -3.564 1.00 0.00 C ATOM 1205 CG1 ILE A 999 4.559 23.380 -3.156 1.00 0.00 C ATOM 1206 CG2 ILE A 999 6.479 24.541 -4.249 1.00 0.00 C ATOM 1207 CD1 ILE A 999 4.042 22.325 -2.199 1.00 0.00 C ATOM 0 H ILE A 999 6.448 20.675 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 999 5.592 22.132 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 999 6.628 23.087 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 999 4.411 24.359 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 999 3.950 23.353 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 999 6.286 25.387 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 999 7.545 24.491 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 999 5.920 24.669 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 999 2.991 22.514 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 999 4.147 21.339 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 999 4.616 22.361 -1.273 1.00 0.00 H new ATOM 1219 N PRO A1000 7.942 21.912 -6.295 1.00 0.00 N ATOM 1220 CA PRO A1000 9.274 21.798 -6.880 1.00 0.00 C ATOM 1221 C PRO A1000 10.104 23.072 -6.731 1.00 0.00 C ATOM 1222 O PRO A1000 9.560 24.173 -6.655 1.00 0.00 O ATOM 1223 CB PRO A1000 9.005 21.499 -8.362 1.00 0.00 C ATOM 1224 CG PRO A1000 7.560 21.140 -8.436 1.00 0.00 C ATOM 1225 CD PRO A1000 6.897 21.898 -7.325 1.00 0.00 C ATOM 0 HA PRO A1000 9.859 21.027 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A1000 9.227 22.366 -8.985 1.00 0.00 H new ATOM 0 HB3 PRO A1000 9.632 20.682 -8.718 1.00 0.00 H new ATOM 0 HG2 PRO A1000 7.138 21.413 -9.403 1.00 0.00 H new ATOM 0 HG3 PRO A1000 7.417 20.066 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A1000 6.613 22.905 -7.631 1.00 0.00 H new ATOM 0 HD3 PRO A1000 5.990 21.403 -6.978 1.00 0.00 H new ATOM 1233 N PRO A1001 11.431 22.915 -6.651 1.00 0.00 N ATOM 1234 CA PRO A1001 12.061 21.612 -6.655 1.00 0.00 C ATOM 1235 C PRO A1001 12.208 21.038 -5.267 1.00 0.00 C ATOM 1236 O PRO A1001 12.373 21.757 -4.271 1.00 0.00 O ATOM 1237 CB PRO A1001 13.438 21.854 -7.258 1.00 0.00 C ATOM 1238 CG PRO A1001 13.589 23.332 -7.352 1.00 0.00 C ATOM 1239 CD PRO A1001 12.435 23.971 -6.615 1.00 0.00 C ATOM 0 HA PRO A1001 11.461 20.893 -7.213 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.219 21.421 -6.634 1.00 0.00 H new ATOM 0 HB3 PRO A1001 13.521 21.390 -8.241 1.00 0.00 H new ATOM 0 HG2 PRO A1001 14.538 23.646 -6.918 1.00 0.00 H new ATOM 0 HG3 PRO A1001 13.596 23.648 -8.395 1.00 0.00 H new ATOM 0 HD2 PRO A1001 12.704 24.244 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A1001 12.089 24.880 -7.108 1.00 0.00 H new ATOM 1247 N ASP A1002 12.134 19.745 -5.234 1.00 0.00 N ATOM 1248 CA ASP A1002 12.301 18.960 -4.023 1.00 0.00 C ATOM 1249 C ASP A1002 12.545 17.512 -4.402 1.00 0.00 C ATOM 1250 O ASP A1002 13.692 17.143 -4.659 1.00 0.00 O ATOM 1251 CB ASP A1002 11.095 19.069 -3.077 1.00 0.00 C ATOM 1252 CG ASP A1002 11.336 18.389 -1.741 1.00 0.00 C ATOM 1253 OD1 ASP A1002 11.238 17.155 -1.640 1.00 0.00 O ATOM 1254 OD2 ASP A1002 11.639 19.086 -0.741 1.00 0.00 O ATOM 0 H ASP A1002 11.952 19.179 -6.063 1.00 0.00 H new ATOM 0 HA ASP A1002 13.158 19.359 -3.480 1.00 0.00 H new ATOM 0 HB2 ASP A1002 10.864 20.121 -2.908 1.00 0.00 H new ATOM 0 HB3 ASP A1002 10.222 18.624 -3.555 1.00 0.00 H new ATOM 1259 N HIS A1003 11.453 16.747 -4.537 1.00 0.00 N ATOM 1260 CA HIS A1003 11.463 15.314 -4.853 1.00 0.00 C ATOM 1261 C HIS A1003 10.143 14.681 -4.434 1.00 0.00 C ATOM 1262 O HIS A1003 9.258 14.439 -5.253 1.00 0.00 O ATOM 1263 CB HIS A1003 12.588 14.535 -4.148 1.00 0.00 C ATOM 1264 CG HIS A1003 13.567 13.921 -5.091 1.00 0.00 C ATOM 1265 ND1 HIS A1003 14.653 13.181 -4.680 1.00 0.00 N ATOM 1266 CD2 HIS A1003 13.619 13.952 -6.437 1.00 0.00 C ATOM 1267 CE1 HIS A1003 15.329 12.780 -5.738 1.00 0.00 C ATOM 1268 NE2 HIS A1003 14.726 13.234 -6.816 1.00 0.00 N ATOM 0 H HIS A1003 10.510 17.121 -4.426 1.00 0.00 H new ATOM 0 HA HIS A1003 11.625 15.252 -5.929 1.00 0.00 H new ATOM 0 HB2 HIS A1003 13.118 15.208 -3.474 1.00 0.00 H new ATOM 0 HB3 HIS A1003 12.146 13.751 -3.533 1.00 0.00 H new ATOM 0 HD2 HIS A1003 12.921 14.449 -7.094 1.00 0.00 H new ATOM 0 HE1 HIS A1003 16.227 12.180 -5.723 1.00 0.00 H new ATOM 0 HE2 HIS A1003 15.031 13.078 -7.777 1.00 0.00 H new ATOM 1277 N LYS A1004 10.003 14.456 -3.137 1.00 0.00 N ATOM 1278 CA LYS A1004 8.874 13.727 -2.600 1.00 0.00 C ATOM 1279 C LYS A1004 8.153 14.512 -1.502 1.00 0.00 C ATOM 1280 O LYS A1004 8.766 15.329 -0.802 1.00 0.00 O ATOM 1281 CB LYS A1004 9.357 12.407 -1.992 1.00 0.00 C ATOM 1282 CG LYS A1004 10.087 11.491 -2.954 1.00 0.00 C ATOM 1283 CD LYS A1004 10.717 10.332 -2.207 1.00 0.00 C ATOM 1284 CE LYS A1004 11.500 9.425 -3.141 1.00 0.00 C ATOM 1285 NZ LYS A1004 12.253 8.391 -2.395 1.00 0.00 N ATOM 0 H LYS A1004 10.668 14.774 -2.432 1.00 0.00 H new ATOM 0 HA LYS A1004 8.182 13.555 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A1004 10.017 12.630 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A1004 8.497 11.874 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A1004 9.392 11.113 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A1004 10.857 12.051 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A1004 11.380 10.715 -1.431 1.00 0.00 H new ATOM 0 HD3 LYS A1004 9.939 9.755 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A1004 10.816 8.944 -3.840 1.00 0.00 H new ATOM 0 HE3 LYS A1004 12.192 10.023 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 12.748 7.770 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 12.947 8.850 -1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 11.593 7.826 -1.823 1.00 0.00 H new ATOM 1299 N PRO A1005 6.836 14.274 -1.367 1.00 0.00 N ATOM 1300 CA PRO A1005 6.032 14.778 -0.250 1.00 0.00 C ATOM 1301 C PRO A1005 6.508 14.179 1.056 1.00 0.00 C ATOM 1302 O PRO A1005 6.969 13.029 1.090 1.00 0.00 O ATOM 1303 CB PRO A1005 4.628 14.244 -0.530 1.00 0.00 C ATOM 1304 CG PRO A1005 4.616 13.912 -1.974 1.00 0.00 C ATOM 1305 CD PRO A1005 6.024 13.521 -2.324 1.00 0.00 C ATOM 0 HA PRO A1005 6.088 15.863 -0.168 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.413 13.365 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.869 14.989 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A1005 3.922 13.097 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.290 14.766 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.179 12.447 -2.224 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.270 13.784 -3.353 1.00 0.00 H new ATOM 1313 N LYS A1006 6.411 14.932 2.123 1.00 0.00 N ATOM 1314 CA LYS A1006 6.832 14.438 3.418 1.00 0.00 C ATOM 1315 C LYS A1006 5.619 13.863 4.101 1.00 0.00 C ATOM 1316 O LYS A1006 5.624 12.748 4.630 1.00 0.00 O ATOM 1317 CB LYS A1006 7.335 15.572 4.324 1.00 0.00 C ATOM 1318 CG LYS A1006 7.917 16.766 3.601 1.00 0.00 C ATOM 1319 CD LYS A1006 9.101 16.384 2.738 1.00 0.00 C ATOM 1320 CE LYS A1006 9.598 17.554 1.918 1.00 0.00 C ATOM 1321 NZ LYS A1006 10.700 17.135 1.034 1.00 0.00 N ATOM 0 H LYS A1006 6.047 15.885 2.125 1.00 0.00 H new ATOM 0 HA LYS A1006 7.631 13.713 3.263 1.00 0.00 H new ATOM 0 HB2 LYS A1006 6.507 15.913 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A1006 8.093 15.169 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A1006 7.148 17.224 2.979 1.00 0.00 H new ATOM 0 HG3 LYS A1006 8.226 17.516 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A1006 9.908 16.014 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A1006 8.818 15.568 2.073 1.00 0.00 H new ATOM 0 HE2 LYS A1006 8.781 17.961 1.322 1.00 0.00 H new ATOM 0 HE3 LYS A1006 9.938 18.351 2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 11.276 17.963 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 11.294 16.437 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 10.309 16.709 0.170 1.00 0.00 H new ATOM 1335 N SER A1007 4.601 14.685 4.102 1.00 0.00 N ATOM 1336 CA SER A1007 3.391 14.429 4.820 1.00 0.00 C ATOM 1337 C SER A1007 2.266 13.938 3.914 1.00 0.00 C ATOM 1338 O SER A1007 2.215 14.259 2.726 1.00 0.00 O ATOM 1339 CB SER A1007 3.033 15.723 5.537 1.00 0.00 C ATOM 1340 OG SER A1007 4.136 16.149 6.330 1.00 0.00 O ATOM 0 H SER A1007 4.596 15.568 3.591 1.00 0.00 H new ATOM 0 HA SER A1007 3.536 13.619 5.535 1.00 0.00 H new ATOM 0 HB2 SER A1007 2.775 16.494 4.811 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.156 15.571 6.167 1.00 0.00 H new ATOM 0 HG SER A1007 3.905 16.983 6.790 1.00 0.00 H new ATOM 1346 N TRP A1008 1.379 13.167 4.520 1.00 0.00 N ATOM 1347 CA TRP A1008 0.230 12.561 3.864 1.00 0.00 C ATOM 1348 C TRP A1008 -0.971 12.753 4.759 1.00 0.00 C ATOM 1349 O TRP A1008 -0.879 12.593 5.978 1.00 0.00 O ATOM 1350 CB TRP A1008 0.483 11.080 3.556 1.00 0.00 C ATOM 1351 CG TRP A1008 1.715 10.930 2.752 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.967 10.818 3.235 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.821 10.939 1.324 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.852 10.803 2.216 1.00 0.00 N ATOM 1355 CE2 TRP A1008 3.183 10.847 1.022 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.902 11.016 0.274 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.657 10.833 -0.287 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.370 10.995 -1.023 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.737 10.904 -1.294 1.00 0.00 C ATOM 0 H TRP A1008 1.439 12.938 5.512 1.00 0.00 H new ATOM 0 HA TRP A1008 0.048 13.042 2.903 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.576 10.518 4.485 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.366 10.663 3.015 1.00 0.00 H new ATOM 0 HD1 TRP A1008 3.225 10.750 4.282 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.866 10.765 2.320 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.157 11.091 0.475 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.714 10.768 -0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.668 11.050 -1.842 1.00 0.00 H new ATOM 0 HH2 TRP A1008 3.073 10.889 -2.320 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.093 13.112 4.166 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.287 13.412 4.931 1.00 0.00 C ATOM 1372 C VAL A1009 -4.460 12.751 4.217 1.00 0.00 C ATOM 1373 O VAL A1009 -4.432 11.551 4.045 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.545 14.943 5.145 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -4.688 15.184 6.126 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -2.296 15.668 5.632 1.00 0.00 C ATOM 0 H VAL A1009 -2.203 13.203 3.156 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.157 13.018 5.939 1.00 0.00 H new ATOM 0 HB VAL A1009 -3.822 15.347 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -4.840 16.256 6.251 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -5.601 14.731 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -4.441 14.738 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.519 16.726 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -1.974 15.241 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -1.500 15.556 4.896 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.348 13.525 3.597 1.00 0.00 N ATOM 1387 CA ALA A1010 -6.581 12.967 3.056 1.00 0.00 C ATOM 1388 C ALA A1010 -7.275 13.967 2.139 1.00 0.00 C ATOM 1389 O ALA A1010 -7.934 13.584 1.175 1.00 0.00 O ATOM 1390 CB ALA A1010 -7.526 12.582 4.187 1.00 0.00 C ATOM 0 H ALA A1010 -5.237 14.529 3.459 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.322 12.080 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -8.443 12.167 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.047 11.838 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -7.765 13.466 4.779 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.115 15.257 2.444 1.00 0.00 N ATOM 1397 CA ALA A1011 -7.794 16.327 1.709 1.00 0.00 C ATOM 1398 C ALA A1011 -7.225 16.544 0.303 1.00 0.00 C ATOM 1399 O ALA A1011 -6.338 15.810 -0.150 1.00 0.00 O ATOM 1400 CB ALA A1011 -7.719 17.614 2.519 1.00 0.00 C ATOM 0 H ALA A1011 -6.516 15.587 3.201 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.833 16.026 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -8.223 18.415 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -8.206 17.466 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -6.675 17.884 2.677 1.00 0.00 H new ATOM 1406 N GLU A1012 -7.646 17.636 -0.331 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.326 17.884 -1.709 1.00 0.00 C ATOM 1408 C GLU A1012 -7.246 19.388 -1.979 1.00 0.00 C ATOM 1409 O GLU A1012 -8.253 20.093 -1.968 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.345 17.194 -2.610 1.00 0.00 C ATOM 1411 CG GLU A1012 -8.059 17.347 -4.090 1.00 0.00 C ATOM 1412 CD GLU A1012 -6.605 17.141 -4.413 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -6.114 15.994 -4.384 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -5.916 18.143 -4.613 1.00 0.00 O ATOM 0 H GLU A1012 -8.215 18.362 0.105 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.345 17.465 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.374 16.133 -2.363 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.335 17.597 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -8.659 16.630 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -8.364 18.341 -4.416 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.021 19.858 -2.134 1.00 0.00 N ATOM 1422 CA LYS A1013 -5.709 21.243 -2.462 1.00 0.00 C ATOM 1423 C LYS A1013 -5.060 21.304 -3.832 1.00 0.00 C ATOM 1424 O LYS A1013 -4.218 20.467 -4.124 1.00 0.00 O ATOM 1425 CB LYS A1013 -4.716 21.769 -1.446 1.00 0.00 C ATOM 1426 CG LYS A1013 -5.265 21.833 -0.048 1.00 0.00 C ATOM 1427 CD LYS A1013 -4.144 21.955 0.959 1.00 0.00 C ATOM 1428 CE LYS A1013 -4.645 22.009 2.389 1.00 0.00 C ATOM 1429 NZ LYS A1013 -3.530 22.110 3.367 1.00 0.00 N ATOM 0 H LYS A1013 -5.191 19.273 -2.033 1.00 0.00 H new ATOM 0 HA LYS A1013 -6.624 21.836 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -3.831 21.133 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -4.394 22.766 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -5.939 22.685 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -5.852 20.938 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -3.467 21.108 0.847 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -3.567 22.855 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -5.310 22.864 2.508 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -5.233 21.116 2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -3.858 21.793 4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -2.740 21.510 3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -3.211 23.098 3.429 1.00 0.00 H new ATOM 1443 N MET A1014 -5.425 22.290 -4.632 1.00 0.00 N ATOM 1444 CA MET A1014 -4.899 22.496 -5.991 1.00 0.00 C ATOM 1445 C MET A1014 -3.389 22.378 -6.128 1.00 0.00 C ATOM 1446 O MET A1014 -2.914 21.885 -7.152 1.00 0.00 O ATOM 1447 CB MET A1014 -5.325 23.846 -6.512 1.00 0.00 C ATOM 1448 CG MET A1014 -4.875 24.134 -7.939 1.00 0.00 C ATOM 1449 SD MET A1014 -5.278 25.805 -8.481 1.00 0.00 S ATOM 1450 CE MET A1014 -4.670 25.757 -10.167 1.00 0.00 C ATOM 0 H MET A1014 -6.112 22.993 -4.358 1.00 0.00 H new ATOM 0 HA MET A1014 -5.324 21.681 -6.578 1.00 0.00 H new ATOM 0 HB2 MET A1014 -6.412 23.915 -6.465 1.00 0.00 H new ATOM 0 HB3 MET A1014 -4.927 24.619 -5.854 1.00 0.00 H new ATOM 0 HG2 MET A1014 -3.798 23.984 -8.012 1.00 0.00 H new ATOM 0 HG3 MET A1014 -5.343 23.417 -8.613 1.00 0.00 H new ATOM 0 HE1 MET A1014 -4.020 26.614 -10.344 1.00 0.00 H new ATOM 0 HE2 MET A1014 -4.108 24.836 -10.325 1.00 0.00 H new ATOM 0 HE3 MET A1014 -5.512 25.792 -10.858 1.00 0.00 H new ATOM 1460 N TYR A1015 -2.626 22.754 -5.109 1.00 0.00 N ATOM 1461 CA TYR A1015 -1.171 22.660 -5.245 1.00 0.00 C ATOM 1462 C TYR A1015 -0.695 21.212 -5.144 1.00 0.00 C ATOM 1463 O TYR A1015 0.502 20.922 -5.109 1.00 0.00 O ATOM 1464 CB TYR A1015 -0.399 23.608 -4.307 1.00 0.00 C ATOM 1465 CG TYR A1015 -0.709 23.545 -2.827 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -0.047 22.667 -1.982 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -1.626 24.420 -2.268 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -0.294 22.664 -0.624 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -1.886 24.417 -0.913 1.00 0.00 C ATOM 1470 CZ TYR A1015 -1.214 23.538 -0.093 1.00 0.00 C ATOM 1471 OH TYR A1015 -1.455 23.543 1.265 1.00 0.00 O ATOM 0 H TYR A1015 -2.966 23.112 -4.216 1.00 0.00 H new ATOM 0 HA TYR A1015 -0.934 23.011 -6.249 1.00 0.00 H new ATOM 0 HB2 TYR A1015 0.665 23.411 -4.435 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -0.577 24.630 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A1015 0.673 21.975 -2.393 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -2.148 25.118 -2.906 1.00 0.00 H new ATOM 0 HE1 TYR A1015 0.234 21.977 0.020 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -2.612 25.100 -0.498 1.00 0.00 H new ATOM 0 HH TYR A1015 -1.553 22.621 1.583 1.00 0.00 H new ATOM 1481 N HIS A1016 -1.661 20.308 -5.066 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.398 18.875 -5.151 1.00 0.00 C ATOM 1483 C HIS A1016 -0.753 18.482 -6.457 1.00 0.00 C ATOM 1484 O HIS A1016 -1.331 18.660 -7.524 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.670 18.066 -5.018 1.00 0.00 C ATOM 1486 CG HIS A1016 -2.863 17.468 -3.686 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -3.993 17.668 -2.982 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -2.084 16.666 -2.938 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -3.923 17.048 -1.843 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -2.769 16.413 -1.782 1.00 0.00 N ATOM 0 H HIS A1016 -2.646 20.544 -4.943 1.00 0.00 H new ATOM 0 HA HIS A1016 -0.718 18.661 -4.326 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.522 18.708 -5.244 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.663 17.271 -5.764 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -4.787 18.225 -3.297 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -1.105 16.293 -3.200 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -4.682 17.052 -1.075 1.00 0.00 H new ATOM 1499 N THR A1017 0.435 17.949 -6.348 1.00 0.00 N ATOM 1500 CA THR A1017 1.136 17.410 -7.484 1.00 0.00 C ATOM 1501 C THR A1017 1.218 15.885 -7.376 1.00 0.00 C ATOM 1502 O THR A1017 1.510 15.185 -8.344 1.00 0.00 O ATOM 1503 CB THR A1017 2.543 18.024 -7.543 1.00 0.00 C ATOM 1504 OG1 THR A1017 3.160 17.935 -6.248 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.480 19.485 -7.953 1.00 0.00 C ATOM 0 H THR A1017 0.945 17.876 -5.468 1.00 0.00 H new ATOM 0 HA THR A1017 0.598 17.657 -8.399 1.00 0.00 H new ATOM 0 HB THR A1017 3.125 17.472 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A1017 3.783 18.682 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.489 19.897 -7.987 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.021 19.567 -8.938 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.886 20.041 -7.228 1.00 0.00 H new ATOM 1513 N HIS A1018 0.901 15.367 -6.191 1.00 0.00 N ATOM 1514 CA HIS A1018 1.043 13.938 -5.900 1.00 0.00 C ATOM 1515 C HIS A1018 -0.108 13.374 -5.058 1.00 0.00 C ATOM 1516 O HIS A1018 -0.744 14.062 -4.252 1.00 0.00 O ATOM 1517 CB HIS A1018 2.390 13.637 -5.216 1.00 0.00 C ATOM 1518 CG HIS A1018 3.574 13.723 -6.133 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.712 14.458 -5.869 1.00 0.00 N ATOM 1520 CD2 HIS A1018 3.799 13.110 -7.309 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.580 14.286 -6.850 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.047 13.473 -7.731 1.00 0.00 N ATOM 0 H HIS A1018 0.542 15.918 -5.411 1.00 0.00 H new ATOM 0 HA HIS A1018 1.010 13.436 -6.867 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.531 14.336 -4.391 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.351 12.637 -4.784 1.00 0.00 H new ATOM 0 HD2 HIS A1018 3.117 12.451 -7.826 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.559 14.737 -6.915 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.493 13.161 -8.594 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.417 12.128 -5.304 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.419 11.421 -4.547 1.00 0.00 C ATOM 1533 C ARG A1019 -1.051 9.951 -4.564 1.00 0.00 C ATOM 1534 O ARG A1019 -0.490 9.463 -5.536 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.833 11.661 -5.116 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.932 10.959 -4.332 1.00 0.00 C ATOM 1537 CD ARG A1019 -5.329 11.204 -4.896 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.877 12.524 -4.572 1.00 0.00 N ATOM 1539 CZ ARG A1019 -7.080 12.707 -4.007 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.932 11.697 -3.906 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -7.466 13.912 -3.648 1.00 0.00 N ATOM 0 H ARG A1019 0.021 11.572 -6.038 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.444 11.788 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -3.034 12.732 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.862 11.320 -6.151 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -3.734 9.887 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -3.902 11.297 -3.296 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.298 11.090 -5.980 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -6.004 10.438 -4.514 1.00 0.00 H new ATOM 0 HE ARG A1019 -5.314 13.347 -4.787 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.674 10.775 -4.259 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.845 11.841 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -6.850 14.711 -3.799 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -8.381 14.048 -3.219 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.320 9.284 -3.480 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.026 7.870 -3.296 1.00 0.00 C ATOM 1557 C ARG A1020 -2.188 7.283 -2.621 1.00 0.00 C ATOM 1558 O ARG A1020 -3.125 7.987 -2.295 1.00 0.00 O ATOM 1559 CB ARG A1020 0.157 7.587 -2.387 1.00 0.00 C ATOM 1560 CG ARG A1020 1.522 7.860 -2.936 1.00 0.00 C ATOM 1561 CD ARG A1020 2.526 7.421 -1.897 1.00 0.00 C ATOM 1562 NE ARG A1020 3.899 7.559 -2.336 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.937 7.529 -1.497 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.733 7.472 -0.178 1.00 0.00 N ATOM 1565 NH2 ARG A1020 6.175 7.589 -1.969 1.00 0.00 N ATOM 0 H ARG A1020 -1.764 9.711 -2.667 1.00 0.00 H new ATOM 0 HA ARG A1020 -0.798 7.464 -4.281 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.034 8.177 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.114 6.538 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A1020 1.675 7.319 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A1020 1.640 8.920 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.381 8.008 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A1020 2.338 6.380 -1.636 1.00 0.00 H new ATOM 0 HE ARG A1020 4.081 7.685 -3.332 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.782 7.451 0.191 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.528 7.449 0.461 1.00 0.00 H new ATOM 0 HH21 ARG A1020 6.335 7.658 -2.974 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.967 7.566 -1.327 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.191 6.000 -2.584 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.121 5.290 -1.768 1.00 0.00 C ATOM 1581 C ARG A1021 -2.518 3.957 -1.429 1.00 0.00 C ATOM 1582 O ARG A1021 -1.689 3.448 -2.189 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.420 5.122 -2.506 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.260 4.469 -3.846 1.00 0.00 C ATOM 1585 CD ARG A1021 -5.584 4.236 -4.494 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.347 3.723 -5.825 1.00 0.00 N ATOM 1587 CZ ARG A1021 -6.266 3.065 -6.553 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -7.543 3.125 -6.206 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -5.920 2.396 -7.650 1.00 0.00 N ATOM 0 H ARG A1021 -1.552 5.409 -3.116 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.329 5.840 -0.850 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.101 4.526 -1.898 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -4.884 6.100 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.643 5.097 -4.488 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -3.736 3.520 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.173 3.527 -3.912 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.154 5.164 -4.539 1.00 0.00 H new ATOM 0 HE ARG A1021 -4.426 3.869 -6.237 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -7.825 3.668 -5.390 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.244 2.628 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -4.945 2.377 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -6.630 1.902 -8.191 1.00 0.00 H new ATOM 1603 N ARG A1022 -2.921 3.396 -0.319 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.416 2.122 0.085 1.00 0.00 C ATOM 1605 C ARG A1022 -3.308 1.026 -0.445 1.00 0.00 C ATOM 1606 O ARG A1022 -4.485 0.960 -0.102 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.344 2.019 1.599 1.00 0.00 C ATOM 1608 CG ARG A1022 -1.943 0.636 2.081 1.00 0.00 C ATOM 1609 CD ARG A1022 -1.880 0.579 3.586 1.00 0.00 C ATOM 1610 NE ARG A1022 -0.865 1.482 4.074 1.00 0.00 N ATOM 1611 CZ ARG A1022 -0.816 1.969 5.315 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -1.631 1.501 6.252 1.00 0.00 N ATOM 1613 NH2 ARG A1022 0.077 2.893 5.633 1.00 0.00 N ATOM 0 H ARG A1022 -3.601 3.808 0.320 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.411 2.013 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.628 2.750 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.315 2.278 2.022 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -2.659 -0.101 1.716 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -0.972 0.370 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -2.849 0.846 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -1.660 -0.438 3.910 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.133 1.768 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -2.300 0.765 6.025 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -1.589 1.877 7.199 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.730 3.235 4.928 1.00 0.00 H new ATOM 0 HH22 ARG A1022 0.112 3.263 6.583 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.762 0.216 -1.309 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.423 -0.985 -1.720 1.00 0.00 C ATOM 1629 C LEU A1023 -2.952 -2.032 -0.742 1.00 0.00 C ATOM 1630 O LEU A1023 -1.756 -2.193 -0.526 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.067 -1.376 -3.157 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.378 -0.330 -4.232 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -2.987 -0.851 -5.604 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -4.851 0.044 -4.215 1.00 0.00 C ATOM 0 H LEU A1023 -1.852 0.371 -1.744 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.506 -0.866 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.002 -1.605 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -3.600 -2.294 -3.406 1.00 0.00 H new ATOM 0 HG LEU A1023 -2.795 0.564 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.214 -0.097 -6.358 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -1.919 -1.070 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -3.547 -1.761 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.046 0.788 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -5.454 -0.844 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.110 0.456 -3.240 1.00 0.00 H new ATOM 1646 N VAL A1024 -3.874 -2.683 -0.111 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.560 -3.616 0.938 1.00 0.00 C ATOM 1648 C VAL A1024 -3.890 -5.012 0.538 1.00 0.00 C ATOM 1649 O VAL A1024 -4.771 -5.260 -0.292 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.311 -3.362 2.271 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -3.854 -2.098 2.938 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -5.818 -3.336 2.073 1.00 0.00 C ATOM 0 H VAL A1024 -4.871 -2.587 -0.304 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.492 -3.471 1.098 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.068 -4.198 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.405 -1.958 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -2.788 -2.166 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.037 -1.251 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.308 -3.156 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.080 -2.540 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.149 -4.294 1.671 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.168 -5.893 1.151 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.494 -7.305 1.089 1.00 0.00 C ATOM 1664 C ARG A1025 -2.862 -8.021 2.246 1.00 0.00 C ATOM 1665 O ARG A1025 -1.652 -8.139 2.324 1.00 0.00 O ATOM 1666 CB ARG A1025 -3.127 -7.953 -0.252 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.765 -9.326 -0.419 1.00 0.00 C ATOM 1668 CD ARG A1025 -3.846 -9.749 -1.878 1.00 0.00 C ATOM 1669 NE ARG A1025 -2.547 -9.979 -2.486 1.00 0.00 N ATOM 1670 CZ ARG A1025 -2.345 -10.595 -3.658 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -3.358 -11.120 -4.331 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -1.110 -10.729 -4.133 1.00 0.00 N ATOM 0 H ARG A1025 -2.342 -5.671 1.707 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.578 -7.395 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -3.446 -7.304 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -2.043 -8.046 -0.325 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -3.188 -10.063 0.140 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -4.767 -9.314 0.010 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -4.440 -10.660 -1.952 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -4.372 -8.979 -2.443 1.00 0.00 H new ATOM 0 HE ARG A1025 -1.725 -9.646 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -4.305 -11.058 -3.958 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -3.191 -11.587 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -0.318 -10.363 -3.605 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -0.955 -11.198 -5.025 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.685 -8.467 3.168 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.194 -9.138 4.344 1.00 0.00 C ATOM 1688 C LYS A1026 -2.785 -10.555 3.943 1.00 0.00 C ATOM 1689 O LYS A1026 -3.364 -11.158 3.028 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.274 -9.059 5.441 1.00 0.00 C ATOM 1691 CG LYS A1026 -3.890 -9.460 6.866 1.00 0.00 C ATOM 1692 CD LYS A1026 -3.797 -10.959 7.079 1.00 0.00 C ATOM 1693 CE LYS A1026 -5.066 -11.679 6.648 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.299 -11.165 7.299 1.00 0.00 N ATOM 0 H LYS A1026 -4.700 -8.375 3.123 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.306 -8.667 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.642 -8.034 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.109 -9.688 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -2.930 -9.007 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.624 -9.049 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -2.949 -11.352 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.605 -11.164 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -5.173 -11.590 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -4.964 -12.741 6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -7.100 -11.785 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -6.166 -11.147 8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.496 -10.202 6.959 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.803 -11.088 4.629 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.173 -12.316 4.222 1.00 0.00 C ATOM 1710 C ARG A1027 -0.993 -13.174 5.434 1.00 0.00 C ATOM 1711 O ARG A1027 -0.645 -12.693 6.481 1.00 0.00 O ATOM 1712 CB ARG A1027 0.160 -12.025 3.512 1.00 0.00 C ATOM 1713 CG ARG A1027 1.051 -11.040 4.249 1.00 0.00 C ATOM 1714 CD ARG A1027 2.205 -10.540 3.400 1.00 0.00 C ATOM 1715 NE ARG A1027 3.203 -11.562 3.124 1.00 0.00 N ATOM 1716 CZ ARG A1027 4.494 -11.281 2.919 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.894 -10.038 2.683 1.00 0.00 N ATOM 1718 NH2 ARG A1027 5.388 -12.251 2.910 1.00 0.00 N ATOM 0 H ARG A1027 -1.420 -10.682 5.483 1.00 0.00 H new ATOM 0 HA ARG A1027 -1.797 -12.849 3.505 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.702 -12.962 3.381 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.048 -11.635 2.516 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.452 -10.190 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.446 -11.516 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.814 -10.160 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.684 -9.702 3.907 1.00 0.00 H new ATOM 0 HE ARG A1027 2.904 -12.537 3.085 1.00 0.00 H new ATOM 0 HH11 ARG A1027 4.213 -9.279 2.656 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.883 -9.841 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A1027 5.095 -13.216 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A1027 6.373 -12.036 2.754 1.00 0.00 H new ATOM 1732 N LYS A1028 -1.233 -14.424 5.269 1.00 0.00 N ATOM 1733 CA LYS A1028 -1.238 -15.366 6.339 1.00 0.00 C ATOM 1734 C LYS A1028 -0.296 -16.495 6.006 1.00 0.00 C ATOM 1735 O LYS A1028 -0.306 -16.991 4.912 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.669 -15.841 6.545 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.808 -17.082 7.384 1.00 0.00 C ATOM 1738 CD LYS A1028 -4.262 -17.331 7.702 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.788 -16.340 8.726 1.00 0.00 C ATOM 1740 NZ LYS A1028 -6.244 -16.494 8.970 1.00 0.00 N ATOM 0 H LYS A1028 -1.438 -14.837 4.359 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.890 -14.920 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -3.240 -15.038 7.012 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -3.119 -16.027 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -2.392 -17.938 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -2.239 -16.972 8.307 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.852 -17.259 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -4.384 -18.346 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -4.250 -16.472 9.665 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.586 -15.326 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.461 -16.231 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.772 -15.876 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -6.520 -17.483 8.808 1.00 0.00 H new ATOM 1754 N LYS A1029 0.499 -16.905 6.959 1.00 0.00 N ATOM 1755 CA LYS A1029 1.488 -17.962 6.731 1.00 0.00 C ATOM 1756 C LYS A1029 0.814 -19.294 7.004 1.00 0.00 C ATOM 1757 O LYS A1029 1.240 -20.370 6.587 1.00 0.00 O ATOM 1758 CB LYS A1029 2.631 -17.810 7.730 1.00 0.00 C ATOM 1759 CG LYS A1029 3.826 -18.686 7.432 1.00 0.00 C ATOM 1760 CD LYS A1029 4.849 -18.644 8.554 1.00 0.00 C ATOM 1761 CE LYS A1029 5.220 -17.219 8.918 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.288 -17.162 9.943 1.00 0.00 N ATOM 0 H LYS A1029 0.492 -16.531 7.908 1.00 0.00 H new ATOM 0 HA LYS A1029 1.869 -17.904 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A1029 2.951 -16.768 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.261 -18.044 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.495 -19.713 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.293 -18.361 6.502 1.00 0.00 H new ATOM 0 HD2 LYS A1029 4.449 -19.152 9.431 1.00 0.00 H new ATOM 0 HD3 LYS A1029 5.744 -19.188 8.252 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.550 -16.692 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.336 -16.699 9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 6.508 -16.169 10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 5.966 -17.642 10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.141 -17.635 9.582 1.00 0.00 H new ATOM 1776 N ASP A1030 -0.248 -19.141 7.764 1.00 0.00 N ATOM 1777 CA ASP A1030 -1.065 -20.186 8.409 1.00 0.00 C ATOM 1778 C ASP A1030 -0.263 -21.165 9.269 1.00 0.00 C ATOM 1779 O ASP A1030 -0.816 -22.039 9.927 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.966 -20.926 7.423 1.00 0.00 C ATOM 1781 CG ASP A1030 -3.180 -21.476 8.135 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -4.049 -20.671 8.512 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -3.293 -22.696 8.356 1.00 0.00 O ATOM 0 H ASP A1030 -0.606 -18.209 7.974 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.709 -19.637 9.096 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -2.278 -20.250 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -1.412 -21.739 6.953 1.00 0.00 H new ATOM 1788 N LEU A1031 1.040 -20.973 9.262 1.00 0.00 N ATOM 1789 CA LEU A1031 2.022 -21.738 10.024 1.00 0.00 C ATOM 1790 C LEU A1031 2.013 -23.221 9.617 1.00 0.00 C ATOM 1791 O LEU A1031 2.561 -24.078 10.311 1.00 0.00 O ATOM 1792 CB LEU A1031 1.737 -21.594 11.514 1.00 0.00 C ATOM 1793 CG LEU A1031 2.871 -21.974 12.463 1.00 0.00 C ATOM 1794 CD1 LEU A1031 4.036 -21.007 12.318 1.00 0.00 C ATOM 1795 CD2 LEU A1031 2.377 -22.022 13.900 1.00 0.00 C ATOM 0 H LEU A1031 1.471 -20.242 8.697 1.00 0.00 H new ATOM 0 HA LEU A1031 3.014 -21.342 9.805 1.00 0.00 H new ATOM 0 HB2 LEU A1031 1.460 -20.558 11.710 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.869 -22.207 11.756 1.00 0.00 H new ATOM 0 HG LEU A1031 3.223 -22.970 12.196 1.00 0.00 H new ATOM 0 HD11 LEU A1031 4.834 -21.294 13.002 1.00 0.00 H new ATOM 0 HD12 LEU A1031 4.408 -21.036 11.294 1.00 0.00 H new ATOM 0 HD13 LEU A1031 3.702 -19.997 12.554 1.00 0.00 H new ATOM 0 HD21 LEU A1031 3.201 -22.295 14.559 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.993 -21.043 14.186 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.582 -22.763 13.987 1.00 0.00 H new ATOM 1807 N THR A1032 1.420 -23.532 8.478 1.00 0.00 N ATOM 1808 CA THR A1032 1.358 -24.902 8.035 1.00 0.00 C ATOM 1809 C THR A1032 1.998 -24.952 6.668 1.00 0.00 C ATOM 1810 O THR A1032 2.079 -25.995 6.020 1.00 0.00 O ATOM 1811 CB THR A1032 -0.106 -25.436 8.005 1.00 0.00 C ATOM 1812 OG1 THR A1032 -0.130 -26.841 7.706 1.00 0.00 O ATOM 1813 CG2 THR A1032 -0.958 -24.691 6.982 1.00 0.00 C ATOM 0 H THR A1032 0.980 -22.857 7.852 1.00 0.00 H new ATOM 0 HA THR A1032 1.891 -25.550 8.731 1.00 0.00 H new ATOM 0 HB THR A1032 -0.526 -25.266 8.996 1.00 0.00 H new ATOM 0 HG1 THR A1032 0.585 -27.052 7.070 1.00 0.00 H new ATOM 0 HG21 THR A1032 -1.971 -25.092 6.991 1.00 0.00 H new ATOM 0 HG22 THR A1032 -0.985 -23.631 7.234 1.00 0.00 H new ATOM 0 HG23 THR A1032 -0.527 -24.817 5.989 1.00 0.00 H new ATOM 1821 N GLN A1033 2.499 -23.796 6.270 1.00 0.00 N ATOM 1822 CA GLN A1033 3.126 -23.658 4.983 1.00 0.00 C ATOM 1823 C GLN A1033 4.624 -23.654 5.214 1.00 0.00 C ATOM 1824 O GLN A1033 5.101 -22.981 6.127 1.00 0.00 O ATOM 1825 CB GLN A1033 2.642 -22.393 4.273 1.00 0.00 C ATOM 1826 CG GLN A1033 2.860 -22.467 2.779 1.00 0.00 C ATOM 1827 CD GLN A1033 2.130 -21.394 1.990 1.00 0.00 C ATOM 1828 OE1 GLN A1033 0.982 -21.575 1.591 1.00 0.00 O ATOM 1829 NE2 GLN A1033 2.796 -20.305 1.690 1.00 0.00 N ATOM 0 H GLN A1033 2.480 -22.942 6.827 1.00 0.00 H new ATOM 0 HA GLN A1033 2.860 -24.486 4.326 1.00 0.00 H new ATOM 0 HB2 GLN A1033 1.582 -22.244 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A1033 3.169 -21.527 4.674 1.00 0.00 H new ATOM 0 HG2 GLN A1033 3.928 -22.389 2.575 1.00 0.00 H new ATOM 0 HG3 GLN A1033 2.538 -23.446 2.424 1.00 0.00 H new ATOM 0 HE21 GLN A1033 3.748 -20.178 2.034 1.00 0.00 H new ATOM 0 HE22 GLN A1033 2.362 -19.584 1.113 1.00 0.00 H new ATOM 1838 N THR A1034 5.331 -24.477 4.438 1.00 0.00 N ATOM 1839 CA THR A1034 6.771 -24.772 4.580 1.00 0.00 C ATOM 1840 C THR A1034 7.070 -25.475 5.904 1.00 0.00 C ATOM 1841 O THR A1034 8.222 -25.668 6.303 1.00 0.00 O ATOM 1842 CB THR A1034 7.729 -23.555 4.348 1.00 0.00 C ATOM 1843 OG1 THR A1034 7.413 -22.412 5.163 1.00 0.00 O ATOM 1844 CG2 THR A1034 7.726 -23.158 2.884 1.00 0.00 C ATOM 0 H THR A1034 4.905 -24.980 3.660 1.00 0.00 H new ATOM 0 HA THR A1034 6.992 -25.454 3.759 1.00 0.00 H new ATOM 0 HB THR A1034 8.723 -23.888 4.647 1.00 0.00 H new ATOM 0 HG1 THR A1034 6.779 -22.675 5.863 1.00 0.00 H new ATOM 0 HG21 THR A1034 8.396 -22.311 2.735 1.00 0.00 H new ATOM 0 HG22 THR A1034 8.064 -23.999 2.278 1.00 0.00 H new ATOM 0 HG23 THR A1034 6.716 -22.879 2.585 1.00 0.00 H new ATOM 1852 N ALA A1035 6.003 -25.931 6.531 1.00 0.00 N ATOM 1853 CA ALA A1035 6.055 -26.645 7.781 1.00 0.00 C ATOM 1854 C ALA A1035 5.247 -27.917 7.617 1.00 0.00 C ATOM 1855 O ALA A1035 4.600 -28.080 6.575 1.00 0.00 O ATOM 1856 CB ALA A1035 5.494 -25.785 8.907 1.00 0.00 C ATOM 0 H ALA A1035 5.056 -25.810 6.172 1.00 0.00 H new ATOM 0 HA ALA A1035 7.085 -26.888 8.042 1.00 0.00 H new ATOM 0 HB1 ALA A1035 5.540 -26.338 9.845 1.00 0.00 H new ATOM 0 HB2 ALA A1035 6.083 -24.872 8.995 1.00 0.00 H new ATOM 0 HB3 ALA A1035 4.458 -25.529 8.687 1.00 0.00 H new ATOM 1862 N SER A1036 5.294 -28.791 8.615 1.00 0.00 N ATOM 1863 CA SER A1036 4.586 -30.067 8.602 1.00 0.00 C ATOM 1864 C SER A1036 5.170 -30.973 7.517 1.00 0.00 C ATOM 1865 O SER A1036 4.781 -30.913 6.342 1.00 0.00 O ATOM 1866 CB SER A1036 3.075 -29.862 8.417 1.00 0.00 C ATOM 1867 OG SER A1036 2.556 -28.974 9.402 1.00 0.00 O ATOM 0 H SER A1036 5.831 -28.632 9.467 1.00 0.00 H new ATOM 0 HA SER A1036 4.723 -30.555 9.567 1.00 0.00 H new ATOM 0 HB2 SER A1036 2.878 -29.463 7.422 1.00 0.00 H new ATOM 0 HB3 SER A1036 2.563 -30.822 8.482 1.00 0.00 H new ATOM 0 HG SER A1036 1.593 -28.858 9.263 1.00 0.00 H new ATOM 1873 N SER A1037 6.153 -31.761 7.903 1.00 0.00 N ATOM 1874 CA SER A1037 6.852 -32.617 6.969 1.00 0.00 C ATOM 1875 C SER A1037 6.728 -34.092 7.356 1.00 0.00 C ATOM 1876 O SER A1037 7.425 -34.585 8.249 1.00 0.00 O ATOM 1877 CB SER A1037 8.322 -32.198 6.898 1.00 0.00 C ATOM 1878 OG SER A1037 8.445 -30.812 6.592 1.00 0.00 O ATOM 0 H SER A1037 6.487 -31.825 8.865 1.00 0.00 H new ATOM 0 HA SER A1037 6.395 -32.503 5.986 1.00 0.00 H new ATOM 0 HB2 SER A1037 8.810 -32.408 7.850 1.00 0.00 H new ATOM 0 HB3 SER A1037 8.836 -32.788 6.139 1.00 0.00 H new ATOM 0 HG SER A1037 9.393 -30.568 6.554 1.00 0.00 H new ATOM 1884 N THR A1038 5.798 -34.778 6.730 1.00 0.00 N ATOM 1885 CA THR A1038 5.636 -36.195 6.935 1.00 0.00 C ATOM 1886 C THR A1038 6.237 -36.952 5.754 1.00 0.00 C ATOM 1887 O THR A1038 5.939 -36.644 4.591 1.00 0.00 O ATOM 1888 CB THR A1038 4.146 -36.575 7.069 1.00 0.00 C ATOM 1889 OG1 THR A1038 3.514 -35.755 8.064 1.00 0.00 O ATOM 1890 CG2 THR A1038 3.997 -38.038 7.467 1.00 0.00 C ATOM 0 H THR A1038 5.137 -34.370 6.069 1.00 0.00 H new ATOM 0 HA THR A1038 6.148 -36.464 7.859 1.00 0.00 H new ATOM 0 HB THR A1038 3.669 -36.415 6.102 1.00 0.00 H new ATOM 0 HG1 THR A1038 2.569 -36.003 8.140 1.00 0.00 H new ATOM 0 HG21 THR A1038 2.939 -38.285 7.556 1.00 0.00 H new ATOM 0 HG22 THR A1038 4.455 -38.670 6.706 1.00 0.00 H new ATOM 0 HG23 THR A1038 4.491 -38.207 8.424 1.00 0.00 H new ATOM 1898 N ALA A1039 7.121 -37.894 6.044 1.00 0.00 N ATOM 1899 CA ALA A1039 7.655 -38.770 5.021 1.00 0.00 C ATOM 1900 C ALA A1039 6.536 -39.688 4.538 1.00 0.00 C ATOM 1901 O ALA A1039 6.132 -40.618 5.238 1.00 0.00 O ATOM 1902 CB ALA A1039 8.827 -39.576 5.564 1.00 0.00 C ATOM 0 H ALA A1039 7.482 -38.069 6.982 1.00 0.00 H new ATOM 0 HA ALA A1039 8.028 -38.180 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A1039 9.214 -40.228 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A1039 9.614 -38.897 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A1039 8.493 -40.181 6.407 1.00 0.00 H new ATOM 1908 N ARG A1040 5.993 -39.368 3.381 1.00 0.00 N ATOM 1909 CA ARG A1040 4.885 -40.109 2.821 1.00 0.00 C ATOM 1910 C ARG A1040 5.391 -40.960 1.671 1.00 0.00 C ATOM 1911 O ARG A1040 5.412 -40.471 0.532 1.00 0.00 O ATOM 1912 CB ARG A1040 3.789 -39.162 2.322 1.00 0.00 C ATOM 1913 CG ARG A1040 3.127 -38.317 3.398 1.00 0.00 C ATOM 1914 CD ARG A1040 2.121 -37.365 2.775 1.00 0.00 C ATOM 1915 NE ARG A1040 1.425 -36.534 3.761 1.00 0.00 N ATOM 1916 CZ ARG A1040 1.093 -35.252 3.567 1.00 0.00 C ATOM 1917 NH1 ARG A1040 1.546 -34.593 2.507 1.00 0.00 N ATOM 1918 NH2 ARG A1040 0.322 -34.620 4.445 1.00 0.00 N ATOM 1919 OXT ARG A1040 5.776 -42.111 1.900 1.00 0.00 O ATOM 0 H ARG A1040 6.308 -38.588 2.804 1.00 0.00 H new ATOM 0 HA ARG A1040 4.457 -40.744 3.597 1.00 0.00 H new ATOM 0 HB2 ARG A1040 4.219 -38.497 1.573 1.00 0.00 H new ATOM 0 HB3 ARG A1040 3.021 -39.752 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A1040 2.628 -38.962 4.121 1.00 0.00 H new ATOM 0 HG3 ARG A1040 3.883 -37.752 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A1040 2.635 -36.719 2.063 1.00 0.00 H new ATOM 0 HD3 ARG A1040 1.387 -37.941 2.211 1.00 0.00 H new ATOM 0 HE ARG A1040 1.177 -36.961 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A1040 2.151 -35.064 1.834 1.00 0.00 H new ATOM 0 HH12 ARG A1040 1.289 -33.616 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A1040 -0.019 -35.112 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A1040 0.071 -33.643 4.293 1.00 0.00 H new TER 1933 ARG A1040