USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.029) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.647 X(o=-0.65,f=-0.23) USER MOD Single : A 29 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.02) USER MOD Single : A 33 TYR OH : rot 59:sc= 1.25 USER MOD Single : A 39 GLN : amide:sc= -0.0755 X(o=-0.075,f=-0.0011) USER MOD Single : A 40 SER OG : rot -36:sc= 0.58 USER MOD Single : A 41 CYS SG : rot -5:sc= 0.192 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.647 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc=-0.00839 (180deg=-0.154) USER MOD Single : A 72 THR OG1 : rot 87:sc= 0.107 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= -0.0201 (180deg=-0.479!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00584 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00328 USER MOD Single : A 107 MET CE :methyl 173:sc= -0.109 (180deg=-0.242) USER MOD Single : A 108 THR OG1 : rot -170:sc= 0.0413 USER MOD Single : A 109 ASN : amide:sc= 0.271 K(o=0.27,f=-1.7!) USER MOD Single : A 114 TYR OH : rot 58:sc= 1.15 USER MOD Single : A 117 SER OG : rot 180:sc= -0.193 USER MOD Single : A 118 GLN : amide:sc= 1 K(o=1,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.796 -9.028 -10.856 1.00 73.33 N ATOM 19 CA GLY A 2 -1.386 -8.806 -11.210 1.00 40.52 C ATOM 20 C GLY A 2 -1.122 -7.449 -11.854 1.00 70.34 C ATOM 21 O GLY A 2 -0.658 -7.366 -12.991 1.00 32.21 O ATOM 0 HA2 GLY A 2 -0.776 -8.896 -10.311 1.00 40.52 H new ATOM 0 HA3 GLY A 2 -1.064 -9.592 -11.894 1.00 40.52 H new ATOM 25 N ILE A 3 -1.462 -6.383 -11.136 1.00 10.11 N ATOM 26 CA ILE A 3 -1.552 -5.044 -11.706 1.00 13.32 C ATOM 27 C ILE A 3 -0.153 -4.501 -12.022 1.00 30.42 C ATOM 28 O ILE A 3 0.807 -4.786 -11.297 1.00 65.25 O ATOM 29 CB ILE A 3 -2.317 -4.110 -10.741 1.00 21.33 C ATOM 30 CG1 ILE A 3 -3.558 -4.801 -10.136 1.00 42.23 C ATOM 31 CG2 ILE A 3 -2.770 -2.828 -11.455 1.00 32.24 C ATOM 32 CD1 ILE A 3 -4.346 -3.895 -9.199 1.00 44.21 C ATOM 0 H ILE A 3 -1.683 -6.424 -10.141 1.00 10.11 H new ATOM 0 HA ILE A 3 -2.107 -5.090 -12.643 1.00 13.32 H new ATOM 0 HB ILE A 3 -1.623 -3.860 -9.939 1.00 21.33 H new ATOM 0 HG12 ILE A 3 -4.210 -5.135 -10.943 1.00 42.23 H new ATOM 0 HG13 ILE A 3 -3.242 -5.691 -9.592 1.00 42.23 H new ATOM 0 HG21 ILE A 3 -3.305 -2.190 -10.752 1.00 32.24 H new ATOM 0 HG22 ILE A 3 -1.898 -2.296 -11.836 1.00 32.24 H new ATOM 0 HG23 ILE A 3 -3.428 -3.087 -12.284 1.00 32.24 H new ATOM 0 HD11 ILE A 3 -5.206 -4.438 -8.806 1.00 44.21 H new ATOM 0 HD12 ILE A 3 -3.707 -3.581 -8.374 1.00 44.21 H new ATOM 0 HD13 ILE A 3 -4.690 -3.017 -9.746 1.00 44.21 H new ATOM 44 N THR A 4 -0.074 -3.678 -13.062 1.00 11.51 N ATOM 45 CA THR A 4 1.049 -2.809 -13.375 1.00 0.51 C ATOM 46 C THR A 4 1.066 -1.657 -12.376 1.00 74.51 C ATOM 47 O THR A 4 0.055 -0.980 -12.178 1.00 62.13 O ATOM 48 CB THR A 4 0.881 -2.280 -14.802 1.00 13.23 C ATOM 49 OG1 THR A 4 1.003 -3.379 -15.683 1.00 43.53 O ATOM 50 CG2 THR A 4 1.887 -1.175 -15.160 1.00 33.44 C ATOM 0 H THR A 4 -0.830 -3.597 -13.742 1.00 11.51 H new ATOM 0 HA THR A 4 1.991 -3.353 -13.308 1.00 0.51 H new ATOM 0 HB THR A 4 -0.101 -1.814 -14.890 1.00 13.23 H new ATOM 0 HG1 THR A 4 0.898 -3.071 -16.607 1.00 43.53 H new ATOM 0 HG21 THR A 4 1.714 -0.844 -16.184 1.00 33.44 H new ATOM 0 HG22 THR A 4 1.760 -0.333 -14.480 1.00 33.44 H new ATOM 0 HG23 THR A 4 2.901 -1.564 -15.071 1.00 33.44 H new ATOM 58 N ILE A 5 2.224 -1.411 -11.776 1.00 3.13 N ATOM 59 CA ILE A 5 2.436 -0.264 -10.909 1.00 2.44 C ATOM 60 C ILE A 5 3.128 0.829 -11.721 1.00 73.03 C ATOM 61 O ILE A 5 3.881 0.520 -12.648 1.00 31.44 O ATOM 62 CB ILE A 5 3.253 -0.735 -9.690 1.00 42.12 C ATOM 63 CG1 ILE A 5 2.517 -1.866 -8.941 1.00 74.21 C ATOM 64 CG2 ILE A 5 3.621 0.394 -8.720 1.00 54.34 C ATOM 65 CD1 ILE A 5 1.065 -1.582 -8.553 1.00 21.40 C ATOM 0 H ILE A 5 3.046 -2.006 -11.879 1.00 3.13 H new ATOM 0 HA ILE A 5 1.504 0.158 -10.534 1.00 2.44 H new ATOM 0 HB ILE A 5 4.193 -1.114 -10.091 1.00 42.12 H new ATOM 0 HG12 ILE A 5 2.537 -2.760 -9.564 1.00 74.21 H new ATOM 0 HG13 ILE A 5 3.076 -2.097 -8.034 1.00 74.21 H new ATOM 0 HG21 ILE A 5 4.195 -0.014 -7.888 1.00 54.34 H new ATOM 0 HG22 ILE A 5 4.219 1.141 -9.242 1.00 54.34 H new ATOM 0 HG23 ILE A 5 2.711 0.858 -8.340 1.00 54.34 H new ATOM 0 HD11 ILE A 5 0.652 -2.446 -8.033 1.00 21.40 H new ATOM 0 HD12 ILE A 5 1.027 -0.712 -7.898 1.00 21.40 H new ATOM 0 HD13 ILE A 5 0.480 -1.385 -9.451 1.00 21.40 H new ATOM 77 N THR A 6 2.896 2.088 -11.358 1.00 45.35 N ATOM 78 CA THR A 6 3.582 3.244 -11.925 1.00 24.01 C ATOM 79 C THR A 6 4.109 4.165 -10.830 1.00 13.40 C ATOM 80 O THR A 6 3.419 4.433 -9.844 1.00 54.10 O ATOM 81 CB THR A 6 2.645 3.997 -12.879 1.00 33.45 C ATOM 82 OG1 THR A 6 1.332 4.117 -12.355 1.00 34.34 O ATOM 83 CG2 THR A 6 2.539 3.246 -14.197 1.00 14.42 C ATOM 0 H THR A 6 2.210 2.337 -10.645 1.00 45.35 H new ATOM 0 HA THR A 6 4.442 2.890 -12.493 1.00 24.01 H new ATOM 0 HB THR A 6 3.070 4.991 -13.016 1.00 33.45 H new ATOM 0 HG1 THR A 6 0.769 4.604 -12.992 1.00 34.34 H new ATOM 0 HG21 THR A 6 1.873 3.785 -14.870 1.00 14.42 H new ATOM 0 HG22 THR A 6 3.527 3.166 -14.651 1.00 14.42 H new ATOM 0 HG23 THR A 6 2.142 2.247 -14.016 1.00 14.42 H new ATOM 91 N ASP A 7 5.329 4.665 -11.026 1.00 4.43 N ATOM 92 CA ASP A 7 6.017 5.629 -10.172 1.00 75.10 C ATOM 93 C ASP A 7 5.154 6.880 -10.007 1.00 42.11 C ATOM 94 O ASP A 7 5.110 7.432 -8.908 1.00 22.01 O ATOM 95 CB ASP A 7 7.413 5.971 -10.737 1.00 25.04 C ATOM 96 CG ASP A 7 8.384 4.779 -10.745 1.00 14.22 C ATOM 97 OD1 ASP A 7 8.009 3.692 -11.229 1.00 65.34 O ATOM 98 OD2 ASP A 7 9.530 4.866 -10.243 1.00 0.51 O ATOM 0 H ASP A 7 5.894 4.392 -11.830 1.00 4.43 H new ATOM 0 HA ASP A 7 6.171 5.186 -9.188 1.00 75.10 H new ATOM 0 HB2 ASP A 7 7.302 6.345 -11.755 1.00 25.04 H new ATOM 0 HB3 ASP A 7 7.847 6.778 -10.147 1.00 25.04 H new ATOM 103 N GLU A 8 4.417 7.282 -11.052 1.00 42.15 N ATOM 104 CA GLU A 8 3.491 8.416 -11.011 1.00 3.24 C ATOM 105 C GLU A 8 2.427 8.250 -9.923 1.00 34.01 C ATOM 106 O GLU A 8 2.053 9.208 -9.242 1.00 3.43 O ATOM 107 CB GLU A 8 2.845 8.638 -12.393 1.00 70.04 C ATOM 108 CG GLU A 8 1.977 7.482 -12.917 1.00 13.31 C ATOM 109 CD GLU A 8 0.505 7.849 -13.128 1.00 4.50 C ATOM 110 OE1 GLU A 8 -0.232 8.070 -12.145 1.00 22.13 O ATOM 111 OE2 GLU A 8 0.068 7.877 -14.305 1.00 22.40 O ATOM 0 H GLU A 8 4.450 6.820 -11.961 1.00 42.15 H new ATOM 0 HA GLU A 8 4.070 9.303 -10.754 1.00 3.24 H new ATOM 0 HB2 GLU A 8 2.230 9.537 -12.346 1.00 70.04 H new ATOM 0 HB3 GLU A 8 3.637 8.831 -13.117 1.00 70.04 H new ATOM 0 HG2 GLU A 8 2.391 7.131 -13.862 1.00 13.31 H new ATOM 0 HG3 GLU A 8 2.036 6.651 -12.214 1.00 13.31 H new ATOM 118 N LEU A 9 1.929 7.025 -9.751 1.00 5.01 N ATOM 119 CA LEU A 9 0.881 6.723 -8.802 1.00 71.11 C ATOM 120 C LEU A 9 1.467 6.765 -7.405 1.00 14.42 C ATOM 121 O LEU A 9 0.893 7.401 -6.527 1.00 45.42 O ATOM 122 CB LEU A 9 0.238 5.360 -9.136 1.00 24.43 C ATOM 123 CG LEU A 9 -1.073 5.505 -9.928 1.00 74.22 C ATOM 124 CD1 LEU A 9 -1.705 4.131 -10.175 1.00 74.41 C ATOM 125 CD2 LEU A 9 -2.083 6.428 -9.230 1.00 53.02 C ATOM 0 H LEU A 9 2.252 6.213 -10.277 1.00 5.01 H new ATOM 0 HA LEU A 9 0.084 7.464 -8.858 1.00 71.11 H new ATOM 0 HB2 LEU A 9 0.943 4.761 -9.713 1.00 24.43 H new ATOM 0 HB3 LEU A 9 0.042 4.818 -8.211 1.00 24.43 H new ATOM 0 HG LEU A 9 -0.816 5.965 -10.882 1.00 74.22 H new ATOM 0 HD11 LEU A 9 -2.631 4.252 -10.736 1.00 74.41 H new ATOM 0 HD12 LEU A 9 -1.014 3.510 -10.745 1.00 74.41 H new ATOM 0 HD13 LEU A 9 -1.920 3.652 -9.220 1.00 74.41 H new ATOM 0 HD21 LEU A 9 -2.990 6.495 -9.831 1.00 53.02 H new ATOM 0 HD22 LEU A 9 -2.328 6.023 -8.248 1.00 53.02 H new ATOM 0 HD23 LEU A 9 -1.649 7.421 -9.115 1.00 53.02 H new ATOM 137 N LEU A 10 2.620 6.121 -7.212 1.00 2.32 N ATOM 138 CA LEU A 10 3.340 6.066 -5.944 1.00 74.52 C ATOM 139 C LEU A 10 3.627 7.475 -5.420 1.00 74.41 C ATOM 140 O LEU A 10 3.374 7.764 -4.246 1.00 13.14 O ATOM 141 CB LEU A 10 4.653 5.293 -6.136 1.00 14.30 C ATOM 142 CG LEU A 10 4.457 3.773 -6.314 1.00 34.13 C ATOM 143 CD1 LEU A 10 5.415 3.209 -7.362 1.00 31.44 C ATOM 144 CD2 LEU A 10 4.689 3.041 -4.990 1.00 75.53 C ATOM 0 H LEU A 10 3.090 5.609 -7.958 1.00 2.32 H new ATOM 0 HA LEU A 10 2.720 5.553 -5.209 1.00 74.52 H new ATOM 0 HB2 LEU A 10 5.173 5.688 -7.009 1.00 14.30 H new ATOM 0 HB3 LEU A 10 5.297 5.469 -5.275 1.00 14.30 H new ATOM 0 HG LEU A 10 3.431 3.617 -6.648 1.00 34.13 H new ATOM 0 HD11 LEU A 10 5.252 2.136 -7.464 1.00 31.44 H new ATOM 0 HD12 LEU A 10 5.234 3.696 -8.320 1.00 31.44 H new ATOM 0 HD13 LEU A 10 6.443 3.392 -7.051 1.00 31.44 H new ATOM 0 HD21 LEU A 10 4.546 1.970 -5.136 1.00 75.53 H new ATOM 0 HD22 LEU A 10 5.706 3.227 -4.644 1.00 75.53 H new ATOM 0 HD23 LEU A 10 3.981 3.403 -4.245 1.00 75.53 H new ATOM 156 N TRP A 11 4.175 8.351 -6.264 1.00 64.10 N ATOM 157 CA TRP A 11 4.494 9.714 -5.868 1.00 44.51 C ATOM 158 C TRP A 11 3.231 10.504 -5.504 1.00 31.03 C ATOM 159 O TRP A 11 3.282 11.288 -4.554 1.00 75.02 O ATOM 160 CB TRP A 11 5.311 10.405 -6.967 1.00 11.51 C ATOM 161 CG TRP A 11 6.793 10.132 -6.949 1.00 63.01 C ATOM 162 CD1 TRP A 11 7.464 9.410 -7.872 1.00 23.23 C ATOM 163 CD2 TRP A 11 7.815 10.596 -6.011 1.00 24.33 C ATOM 164 NE1 TRP A 11 8.814 9.411 -7.588 1.00 1.20 N ATOM 165 CE2 TRP A 11 9.083 10.084 -6.421 1.00 73.45 C ATOM 166 CE3 TRP A 11 7.808 11.403 -4.854 1.00 50.43 C ATOM 167 CZ2 TRP A 11 10.254 10.283 -5.677 1.00 4.54 C ATOM 168 CZ3 TRP A 11 8.999 11.710 -4.164 1.00 62.15 C ATOM 169 CH2 TRP A 11 10.215 11.121 -4.551 1.00 70.32 C ATOM 0 H TRP A 11 4.407 8.133 -7.233 1.00 64.10 H new ATOM 0 HA TRP A 11 5.106 9.680 -4.967 1.00 44.51 H new ATOM 0 HB2 TRP A 11 4.915 10.098 -7.935 1.00 11.51 H new ATOM 0 HB3 TRP A 11 5.157 11.481 -6.886 1.00 11.51 H new ATOM 0 HD1 TRP A 11 7.009 8.905 -8.711 1.00 23.23 H new ATOM 0 HE1 TRP A 11 9.524 8.968 -8.171 1.00 1.20 H new ATOM 0 HE3 TRP A 11 6.870 11.794 -4.489 1.00 50.43 H new ATOM 0 HZ2 TRP A 11 11.175 9.798 -5.966 1.00 4.54 H new ATOM 0 HZ3 TRP A 11 8.977 12.401 -3.334 1.00 62.15 H new ATOM 0 HH2 TRP A 11 11.115 11.312 -3.985 1.00 70.32 H new ATOM 180 N ALA A 12 2.095 10.289 -6.176 1.00 2.12 N ATOM 181 CA ALA A 12 0.886 11.078 -5.948 1.00 75.54 C ATOM 182 C ALA A 12 0.276 10.893 -4.547 1.00 32.14 C ATOM 183 O ALA A 12 -0.325 11.841 -4.026 1.00 71.11 O ATOM 184 CB ALA A 12 -0.135 10.780 -7.047 1.00 4.12 C ATOM 0 H ALA A 12 1.991 9.567 -6.889 1.00 2.12 H new ATOM 0 HA ALA A 12 1.177 12.128 -5.992 1.00 75.54 H new ATOM 0 HB1 ALA A 12 -1.036 11.369 -6.876 1.00 4.12 H new ATOM 0 HB2 ALA A 12 0.289 11.039 -8.017 1.00 4.12 H new ATOM 0 HB3 ALA A 12 -0.386 9.719 -7.032 1.00 4.12 H new ATOM 190 N ILE A 13 0.457 9.739 -3.879 1.00 14.51 N ATOM 191 CA ILE A 13 0.160 9.626 -2.455 1.00 3.24 C ATOM 192 C ILE A 13 1.066 10.611 -1.712 1.00 42.53 C ATOM 193 O ILE A 13 0.596 11.453 -0.943 1.00 52.41 O ATOM 194 CB ILE A 13 0.341 8.175 -1.930 1.00 74.11 C ATOM 195 CG1 ILE A 13 -0.561 7.145 -2.648 1.00 5.11 C ATOM 196 CG2 ILE A 13 -0.015 8.129 -0.441 1.00 31.23 C ATOM 197 CD1 ILE A 13 0.199 6.348 -3.707 1.00 14.23 C ATOM 0 H ILE A 13 0.806 8.881 -4.307 1.00 14.51 H new ATOM 0 HA ILE A 13 -0.888 9.871 -2.280 1.00 3.24 H new ATOM 0 HB ILE A 13 1.381 7.910 -2.119 1.00 74.11 H new ATOM 0 HG12 ILE A 13 -0.982 6.459 -1.913 1.00 5.11 H new ATOM 0 HG13 ILE A 13 -1.398 7.663 -3.117 1.00 5.11 H new ATOM 0 HG21 ILE A 13 0.111 7.112 -0.068 1.00 31.23 H new ATOM 0 HG22 ILE A 13 0.641 8.802 0.111 1.00 31.23 H new ATOM 0 HG23 ILE A 13 -1.051 8.440 -0.305 1.00 31.23 H new ATOM 0 HD11 ILE A 13 -0.477 5.638 -4.183 1.00 14.23 H new ATOM 0 HD12 ILE A 13 0.598 7.029 -4.459 1.00 14.23 H new ATOM 0 HD13 ILE A 13 1.020 5.807 -3.236 1.00 14.23 H new ATOM 209 N LEU A 14 2.376 10.484 -1.916 1.00 60.10 N ATOM 210 CA LEU A 14 3.395 11.149 -1.117 1.00 53.23 C ATOM 211 C LEU A 14 3.315 12.671 -1.248 1.00 44.32 C ATOM 212 O LEU A 14 3.556 13.362 -0.258 1.00 2.33 O ATOM 213 CB LEU A 14 4.792 10.640 -1.510 1.00 4.35 C ATOM 214 CG LEU A 14 4.980 9.114 -1.372 1.00 73.24 C ATOM 215 CD1 LEU A 14 6.273 8.657 -2.054 1.00 0.42 C ATOM 216 CD2 LEU A 14 5.002 8.676 0.099 1.00 42.52 C ATOM 0 H LEU A 14 2.764 9.902 -2.659 1.00 60.10 H new ATOM 0 HA LEU A 14 3.212 10.905 -0.071 1.00 53.23 H new ATOM 0 HB2 LEU A 14 4.992 10.926 -2.543 1.00 4.35 H new ATOM 0 HB3 LEU A 14 5.535 11.142 -0.891 1.00 4.35 H new ATOM 0 HG LEU A 14 4.127 8.645 -1.863 1.00 73.24 H new ATOM 0 HD11 LEU A 14 6.382 7.578 -1.942 1.00 0.42 H new ATOM 0 HD12 LEU A 14 6.235 8.910 -3.114 1.00 0.42 H new ATOM 0 HD13 LEU A 14 7.124 9.157 -1.592 1.00 0.42 H new ATOM 0 HD21 LEU A 14 5.136 7.596 0.155 1.00 42.52 H new ATOM 0 HD22 LEU A 14 5.825 9.171 0.614 1.00 42.52 H new ATOM 0 HD23 LEU A 14 4.060 8.950 0.574 1.00 42.52 H new ATOM 228 N LYS A 15 2.966 13.196 -2.427 1.00 14.24 N ATOM 229 CA LYS A 15 2.803 14.632 -2.674 1.00 2.13 C ATOM 230 C LYS A 15 1.407 15.151 -2.314 1.00 54.11 C ATOM 231 O LYS A 15 1.108 16.318 -2.583 1.00 14.21 O ATOM 232 CB LYS A 15 3.147 14.955 -4.137 1.00 41.52 C ATOM 233 CG LYS A 15 4.557 14.545 -4.598 1.00 34.20 C ATOM 234 CD LYS A 15 5.657 14.969 -3.613 1.00 5.31 C ATOM 235 CE LYS A 15 7.053 14.918 -4.244 1.00 2.15 C ATOM 236 NZ LYS A 15 7.279 16.030 -5.186 1.00 51.43 N ATOM 0 H LYS A 15 2.786 12.624 -3.252 1.00 14.24 H new ATOM 0 HA LYS A 15 3.497 15.151 -2.013 1.00 2.13 H new ATOM 0 HB2 LYS A 15 2.417 14.462 -4.780 1.00 41.52 H new ATOM 0 HB3 LYS A 15 3.033 16.028 -4.289 1.00 41.52 H new ATOM 0 HG2 LYS A 15 4.591 13.463 -4.728 1.00 34.20 H new ATOM 0 HG3 LYS A 15 4.758 14.990 -5.573 1.00 34.20 H new ATOM 0 HD2 LYS A 15 5.456 15.981 -3.261 1.00 5.31 H new ATOM 0 HD3 LYS A 15 5.631 14.317 -2.740 1.00 5.31 H new ATOM 0 HE2 LYS A 15 7.807 14.951 -3.457 1.00 2.15 H new ATOM 0 HE3 LYS A 15 7.179 13.970 -4.767 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 8.275 16.035 -5.485 1.00 51.43 H new ATOM 0 HZ2 LYS A 15 6.668 15.909 -6.019 1.00 51.43 H new ATOM 0 HZ3 LYS A 15 7.053 16.932 -4.719 1.00 51.43 H new ATOM 250 N ASP A 16 0.568 14.318 -1.689 1.00 41.41 N ATOM 251 CA ASP A 16 -0.731 14.690 -1.116 1.00 5.31 C ATOM 252 C ASP A 16 -1.750 15.079 -2.193 1.00 33.31 C ATOM 253 O ASP A 16 -2.643 15.893 -1.952 1.00 60.20 O ATOM 254 CB ASP A 16 -0.528 15.779 -0.040 1.00 23.33 C ATOM 255 CG ASP A 16 -1.415 15.637 1.192 1.00 32.33 C ATOM 256 OD1 ASP A 16 -2.286 14.744 1.269 1.00 64.34 O ATOM 257 OD2 ASP A 16 -1.090 16.305 2.206 1.00 15.34 O ATOM 0 H ASP A 16 0.783 13.329 -1.563 1.00 41.41 H new ATOM 0 HA ASP A 16 -1.166 13.818 -0.626 1.00 5.31 H new ATOM 0 HB2 ASP A 16 0.515 15.766 0.277 1.00 23.33 H new ATOM 0 HB3 ASP A 16 -0.711 16.754 -0.491 1.00 23.33 H new ATOM 262 N GLU A 17 -1.587 14.533 -3.404 1.00 33.01 N ATOM 263 CA GLU A 17 -2.457 14.774 -4.539 1.00 72.15 C ATOM 264 C GLU A 17 -3.606 13.759 -4.533 1.00 63.14 C ATOM 265 O GLU A 17 -4.752 14.143 -4.776 1.00 41.10 O ATOM 266 CB GLU A 17 -1.580 14.736 -5.800 1.00 71.14 C ATOM 267 CG GLU A 17 -2.335 14.369 -7.079 1.00 23.22 C ATOM 268 CD GLU A 17 -1.525 14.709 -8.338 1.00 30.23 C ATOM 269 OE1 GLU A 17 -0.274 14.656 -8.287 1.00 5.33 O ATOM 270 OE2 GLU A 17 -2.117 15.141 -9.352 1.00 53.32 O ATOM 0 H GLU A 17 -0.821 13.894 -3.617 1.00 33.01 H new ATOM 0 HA GLU A 17 -2.939 15.751 -4.500 1.00 72.15 H new ATOM 0 HB2 GLU A 17 -1.114 15.712 -5.934 1.00 71.14 H new ATOM 0 HB3 GLU A 17 -0.775 14.017 -5.648 1.00 71.14 H new ATOM 0 HG2 GLU A 17 -2.565 13.304 -7.072 1.00 23.22 H new ATOM 0 HG3 GLU A 17 -3.286 14.901 -7.105 1.00 23.22 H new ATOM 277 N LEU A 18 -3.344 12.483 -4.201 1.00 4.25 N ATOM 278 CA LEU A 18 -4.428 11.600 -3.760 1.00 65.35 C ATOM 279 C LEU A 18 -4.980 12.126 -2.445 1.00 24.42 C ATOM 280 O LEU A 18 -4.370 12.952 -1.756 1.00 74.24 O ATOM 281 CB LEU A 18 -4.008 10.113 -3.620 1.00 44.50 C ATOM 282 CG LEU A 18 -4.235 9.341 -4.936 1.00 43.32 C ATOM 283 CD1 LEU A 18 -2.892 8.990 -5.529 1.00 64.42 C ATOM 284 CD2 LEU A 18 -5.179 8.148 -4.882 1.00 41.24 C ATOM 0 H LEU A 18 -2.419 12.053 -4.229 1.00 4.25 H new ATOM 0 HA LEU A 18 -5.194 11.612 -4.535 1.00 65.35 H new ATOM 0 HB2 LEU A 18 -2.957 10.055 -3.338 1.00 44.50 H new ATOM 0 HB3 LEU A 18 -4.579 9.645 -2.818 1.00 44.50 H new ATOM 0 HG LEU A 18 -4.784 10.020 -5.589 1.00 43.32 H new ATOM 0 HD11 LEU A 18 -3.037 8.443 -6.461 1.00 64.42 H new ATOM 0 HD12 LEU A 18 -2.332 9.904 -5.728 1.00 64.42 H new ATOM 0 HD13 LEU A 18 -2.335 8.369 -4.827 1.00 64.42 H new ATOM 0 HD21 LEU A 18 -5.250 7.695 -5.871 1.00 41.24 H new ATOM 0 HD22 LEU A 18 -4.797 7.413 -4.173 1.00 41.24 H new ATOM 0 HD23 LEU A 18 -6.167 8.480 -4.563 1.00 41.24 H new ATOM 296 N SER A 19 -6.073 11.499 -2.041 1.00 52.00 N ATOM 297 CA SER A 19 -6.711 11.719 -0.743 1.00 65.44 C ATOM 298 C SER A 19 -6.362 10.579 0.223 1.00 60.30 C ATOM 299 O SER A 19 -5.571 9.701 -0.130 1.00 64.31 O ATOM 300 CB SER A 19 -8.218 11.912 -0.925 1.00 65.04 C ATOM 301 OG SER A 19 -8.492 12.855 -1.955 1.00 54.20 O ATOM 0 H SER A 19 -6.555 10.807 -2.615 1.00 52.00 H new ATOM 0 HA SER A 19 -6.327 12.635 -0.293 1.00 65.44 H new ATOM 0 HB2 SER A 19 -8.683 10.957 -1.169 1.00 65.04 H new ATOM 0 HB3 SER A 19 -8.660 12.252 0.011 1.00 65.04 H new ATOM 0 HG SER A 19 -9.461 12.960 -2.053 1.00 54.20 H new ATOM 307 N ASP A 20 -6.905 10.575 1.440 1.00 53.43 N ATOM 308 CA ASP A 20 -6.754 9.495 2.414 1.00 42.34 C ATOM 309 C ASP A 20 -7.552 8.273 1.954 1.00 40.13 C ATOM 310 O ASP A 20 -6.970 7.226 1.663 1.00 45.25 O ATOM 311 CB ASP A 20 -7.098 9.947 3.852 1.00 20.31 C ATOM 312 CG ASP A 20 -8.276 10.909 4.020 1.00 65.31 C ATOM 313 OD1 ASP A 20 -9.303 10.713 3.343 1.00 52.13 O ATOM 314 OD2 ASP A 20 -8.129 11.869 4.820 1.00 23.52 O ATOM 0 H ASP A 20 -7.478 11.345 1.785 1.00 53.43 H new ATOM 0 HA ASP A 20 -5.704 9.207 2.459 1.00 42.34 H new ATOM 0 HB2 ASP A 20 -7.302 9.056 4.446 1.00 20.31 H new ATOM 0 HB3 ASP A 20 -6.213 10.419 4.279 1.00 20.31 H new ATOM 319 N ALA A 21 -8.870 8.410 1.815 1.00 30.31 N ATOM 320 CA ALA A 21 -9.765 7.355 1.347 1.00 14.54 C ATOM 321 C ALA A 21 -9.466 6.899 -0.087 1.00 74.13 C ATOM 322 O ALA A 21 -9.791 5.769 -0.453 1.00 11.24 O ATOM 323 CB ALA A 21 -11.200 7.877 1.457 1.00 75.00 C ATOM 0 H ALA A 21 -9.356 9.280 2.031 1.00 30.31 H new ATOM 0 HA ALA A 21 -9.616 6.474 1.971 1.00 14.54 H new ATOM 0 HB1 ALA A 21 -11.894 7.109 1.114 1.00 75.00 H new ATOM 0 HB2 ALA A 21 -11.418 8.125 2.496 1.00 75.00 H new ATOM 0 HB3 ALA A 21 -11.311 8.769 0.840 1.00 75.00 H new ATOM 329 N GLU A 22 -8.854 7.767 -0.889 1.00 53.13 N ATOM 330 CA GLU A 22 -8.528 7.510 -2.286 1.00 52.31 C ATOM 331 C GLU A 22 -7.172 6.807 -2.372 1.00 20.21 C ATOM 332 O GLU A 22 -7.072 5.763 -3.008 1.00 30.43 O ATOM 333 CB GLU A 22 -8.545 8.839 -3.051 1.00 12.40 C ATOM 334 CG GLU A 22 -9.954 9.458 -3.121 1.00 50.43 C ATOM 335 CD GLU A 22 -10.678 9.239 -4.453 1.00 41.33 C ATOM 336 OE1 GLU A 22 -10.468 8.191 -5.107 1.00 63.14 O ATOM 337 OE2 GLU A 22 -11.453 10.156 -4.819 1.00 22.50 O ATOM 0 H GLU A 22 -8.564 8.693 -0.575 1.00 53.13 H new ATOM 0 HA GLU A 22 -9.265 6.850 -2.743 1.00 52.31 H new ATOM 0 HB2 GLU A 22 -7.866 9.542 -2.568 1.00 12.40 H new ATOM 0 HB3 GLU A 22 -8.171 8.678 -4.062 1.00 12.40 H new ATOM 0 HG2 GLU A 22 -10.561 9.039 -2.319 1.00 50.43 H new ATOM 0 HG3 GLU A 22 -9.876 10.529 -2.936 1.00 50.43 H new ATOM 344 N ALA A 23 -6.130 7.302 -1.679 1.00 1.53 N ATOM 345 CA ALA A 23 -4.803 6.679 -1.734 1.00 11.44 C ATOM 346 C ALA A 23 -4.889 5.203 -1.312 1.00 71.34 C ATOM 347 O ALA A 23 -4.111 4.366 -1.768 1.00 13.25 O ATOM 348 CB ALA A 23 -3.819 7.370 -0.787 1.00 20.44 C ATOM 0 H ALA A 23 -6.184 8.126 -1.080 1.00 1.53 H new ATOM 0 HA ALA A 23 -4.452 6.772 -2.762 1.00 11.44 H new ATOM 0 HB1 ALA A 23 -2.846 6.882 -0.854 1.00 20.44 H new ATOM 0 HB2 ALA A 23 -3.719 8.419 -1.068 1.00 20.44 H new ATOM 0 HB3 ALA A 23 -4.190 7.302 0.236 1.00 20.44 H new ATOM 354 N ASN A 24 -5.827 4.913 -0.406 1.00 12.11 N ATOM 355 CA ASN A 24 -6.157 3.603 0.132 1.00 1.44 C ATOM 356 C ASN A 24 -6.527 2.639 -0.994 1.00 0.04 C ATOM 357 O ASN A 24 -6.018 1.517 -1.038 1.00 51.22 O ATOM 358 CB ASN A 24 -7.332 3.756 1.117 1.00 53.34 C ATOM 359 CG ASN A 24 -6.935 3.682 2.587 1.00 14.43 C ATOM 360 OD1 ASN A 24 -6.177 2.817 3.007 1.00 5.10 O ATOM 361 ND2 ASN A 24 -7.471 4.545 3.432 1.00 25.10 N ATOM 0 H ASN A 24 -6.414 5.644 -0.005 1.00 12.11 H new ATOM 0 HA ASN A 24 -5.292 3.192 0.652 1.00 1.44 H new ATOM 0 HB2 ASN A 24 -7.822 4.712 0.933 1.00 53.34 H new ATOM 0 HB3 ASN A 24 -8.066 2.977 0.912 1.00 53.34 H new ATOM 0 HD21 ASN A 24 -7.252 4.488 4.427 1.00 25.10 H new ATOM 0 HD22 ASN A 24 -8.103 5.268 3.090 1.00 25.10 H new ATOM 368 N ALA A 25 -7.393 3.084 -1.911 1.00 10.33 N ATOM 369 CA ALA A 25 -7.904 2.273 -3.008 1.00 21.43 C ATOM 370 C ALA A 25 -6.775 1.632 -3.806 1.00 70.31 C ATOM 371 O ALA A 25 -6.841 0.441 -4.101 1.00 54.23 O ATOM 372 CB ALA A 25 -8.763 3.125 -3.941 1.00 44.23 C ATOM 0 H ALA A 25 -7.761 4.035 -1.907 1.00 10.33 H new ATOM 0 HA ALA A 25 -8.510 1.479 -2.572 1.00 21.43 H new ATOM 0 HB1 ALA A 25 -9.138 2.506 -4.756 1.00 44.23 H new ATOM 0 HB2 ALA A 25 -9.603 3.540 -3.384 1.00 44.23 H new ATOM 0 HB3 ALA A 25 -8.161 3.937 -4.349 1.00 44.23 H new ATOM 378 N LEU A 26 -5.734 2.404 -4.138 1.00 62.00 N ATOM 379 CA LEU A 26 -4.597 1.962 -4.940 1.00 31.43 C ATOM 380 C LEU A 26 -3.813 0.814 -4.291 1.00 53.23 C ATOM 381 O LEU A 26 -3.118 0.081 -4.997 1.00 70.10 O ATOM 382 CB LEU A 26 -3.645 3.135 -5.168 1.00 21.12 C ATOM 383 CG LEU A 26 -4.230 4.334 -5.931 1.00 61.13 C ATOM 384 CD1 LEU A 26 -3.132 5.391 -5.996 1.00 10.43 C ATOM 385 CD2 LEU A 26 -4.698 3.970 -7.346 1.00 23.41 C ATOM 0 H LEU A 26 -5.661 3.379 -3.846 1.00 62.00 H new ATOM 0 HA LEU A 26 -5.004 1.593 -5.882 1.00 31.43 H new ATOM 0 HB2 LEU A 26 -3.290 3.484 -4.198 1.00 21.12 H new ATOM 0 HB3 LEU A 26 -2.775 2.771 -5.714 1.00 21.12 H new ATOM 0 HG LEU A 26 -5.116 4.696 -5.409 1.00 61.13 H new ATOM 0 HD11 LEU A 26 -3.501 6.266 -6.531 1.00 10.43 H new ATOM 0 HD12 LEU A 26 -2.844 5.679 -4.985 1.00 10.43 H new ATOM 0 HD13 LEU A 26 -2.266 4.984 -6.519 1.00 10.43 H new ATOM 0 HD21 LEU A 26 -5.101 4.857 -7.835 1.00 23.41 H new ATOM 0 HD22 LEU A 26 -3.854 3.590 -7.922 1.00 23.41 H new ATOM 0 HD23 LEU A 26 -5.472 3.204 -7.288 1.00 23.41 H new ATOM 397 N VAL A 27 -3.915 0.632 -2.973 1.00 71.31 N ATOM 398 CA VAL A 27 -3.397 -0.550 -2.296 1.00 44.11 C ATOM 399 C VAL A 27 -4.390 -1.695 -2.481 1.00 2.05 C ATOM 400 O VAL A 27 -4.004 -2.791 -2.893 1.00 2.11 O ATOM 401 CB VAL A 27 -3.159 -0.272 -0.799 1.00 23.50 C ATOM 402 CG1 VAL A 27 -2.494 -1.491 -0.154 1.00 23.24 C ATOM 403 CG2 VAL A 27 -2.265 0.950 -0.567 1.00 21.55 C ATOM 0 H VAL A 27 -4.360 1.303 -2.347 1.00 71.31 H new ATOM 0 HA VAL A 27 -2.436 -0.823 -2.731 1.00 44.11 H new ATOM 0 HB VAL A 27 -4.132 -0.071 -0.350 1.00 23.50 H new ATOM 0 HG11 VAL A 27 -2.325 -1.296 0.905 1.00 23.24 H new ATOM 0 HG12 VAL A 27 -3.143 -2.360 -0.264 1.00 23.24 H new ATOM 0 HG13 VAL A 27 -1.540 -1.687 -0.644 1.00 23.24 H new ATOM 0 HG21 VAL A 27 -2.128 1.103 0.504 1.00 21.55 H new ATOM 0 HG22 VAL A 27 -1.295 0.786 -1.037 1.00 21.55 H new ATOM 0 HG23 VAL A 27 -2.734 1.832 -1.002 1.00 21.55 H new ATOM 413 N TRP A 28 -5.664 -1.452 -2.164 1.00 43.05 N ATOM 414 CA TRP A 28 -6.717 -2.457 -2.160 1.00 61.05 C ATOM 415 C TRP A 28 -6.834 -3.155 -3.514 1.00 71.04 C ATOM 416 O TRP A 28 -6.959 -4.385 -3.552 1.00 14.04 O ATOM 417 CB TRP A 28 -8.032 -1.802 -1.731 1.00 14.34 C ATOM 418 CG TRP A 28 -8.034 -1.148 -0.376 1.00 34.23 C ATOM 419 CD1 TRP A 28 -7.161 -1.386 0.632 1.00 0.11 C ATOM 420 CD2 TRP A 28 -8.953 -0.135 0.140 1.00 11.31 C ATOM 421 NE1 TRP A 28 -7.461 -0.590 1.712 1.00 54.54 N ATOM 422 CE2 TRP A 28 -8.574 0.183 1.476 1.00 44.42 C ATOM 423 CE3 TRP A 28 -10.070 0.556 -0.375 1.00 71.11 C ATOM 424 CZ2 TRP A 28 -9.281 1.100 2.268 1.00 3.21 C ATOM 425 CZ3 TRP A 28 -10.771 1.502 0.399 1.00 75.30 C ATOM 426 CH2 TRP A 28 -10.390 1.769 1.725 1.00 51.43 C ATOM 0 H TRP A 28 -5.995 -0.525 -1.897 1.00 43.05 H new ATOM 0 HA TRP A 28 -6.466 -3.238 -1.442 1.00 61.05 H new ATOM 0 HB2 TRP A 28 -8.300 -1.052 -2.475 1.00 14.34 H new ATOM 0 HB3 TRP A 28 -8.815 -2.561 -1.747 1.00 14.34 H new ATOM 0 HD1 TRP A 28 -6.349 -2.097 0.593 1.00 0.11 H new ATOM 0 HE1 TRP A 28 -6.925 -0.575 2.580 1.00 54.54 H new ATOM 0 HE3 TRP A 28 -10.395 0.355 -1.385 1.00 71.11 H new ATOM 0 HZ2 TRP A 28 -8.975 1.290 3.286 1.00 3.21 H new ATOM 0 HZ3 TRP A 28 -11.610 2.028 -0.032 1.00 75.30 H new ATOM 0 HH2 TRP A 28 -10.944 2.480 2.320 1.00 51.43 H new ATOM 437 N GLN A 29 -6.705 -2.400 -4.613 1.00 41.41 N ATOM 438 CA GLN A 29 -6.669 -2.959 -5.958 1.00 12.43 C ATOM 439 C GLN A 29 -5.575 -4.032 -6.068 1.00 63.31 C ATOM 440 O GLN A 29 -5.859 -5.166 -6.460 1.00 4.12 O ATOM 441 CB GLN A 29 -6.576 -1.864 -7.039 1.00 45.21 C ATOM 442 CG GLN A 29 -5.451 -0.853 -6.877 1.00 22.54 C ATOM 443 CD GLN A 29 -5.109 -0.086 -8.150 1.00 4.00 C ATOM 444 OE1 GLN A 29 -4.050 -0.287 -8.743 1.00 3.01 O ATOM 445 NE2 GLN A 29 -5.970 0.809 -8.592 1.00 63.31 N ATOM 0 H GLN A 29 -6.623 -1.384 -4.587 1.00 41.41 H new ATOM 0 HA GLN A 29 -7.618 -3.461 -6.149 1.00 12.43 H new ATOM 0 HB2 GLN A 29 -6.464 -2.349 -8.009 1.00 45.21 H new ATOM 0 HB3 GLN A 29 -7.522 -1.323 -7.061 1.00 45.21 H new ATOM 0 HG2 GLN A 29 -5.728 -0.140 -6.100 1.00 22.54 H new ATOM 0 HG3 GLN A 29 -4.558 -1.373 -6.529 1.00 22.54 H new ATOM 0 HE21 GLN A 29 -6.845 0.966 -8.091 1.00 63.31 H new ATOM 0 HE22 GLN A 29 -5.762 1.344 -9.435 1.00 63.31 H new ATOM 454 N ALA A 30 -4.328 -3.715 -5.706 1.00 20.21 N ATOM 455 CA ALA A 30 -3.206 -4.637 -5.828 1.00 44.12 C ATOM 456 C ALA A 30 -3.349 -5.817 -4.866 1.00 31.13 C ATOM 457 O ALA A 30 -2.948 -6.933 -5.210 1.00 14.12 O ATOM 458 CB ALA A 30 -1.894 -3.890 -5.572 1.00 31.42 C ATOM 0 H ALA A 30 -4.072 -2.807 -5.319 1.00 20.21 H new ATOM 0 HA ALA A 30 -3.198 -5.039 -6.841 1.00 44.12 H new ATOM 0 HB1 ALA A 30 -1.057 -4.582 -5.664 1.00 31.42 H new ATOM 0 HB2 ALA A 30 -1.783 -3.088 -6.302 1.00 31.42 H new ATOM 0 HB3 ALA A 30 -1.906 -3.467 -4.567 1.00 31.42 H new ATOM 464 N LEU A 31 -3.919 -5.601 -3.676 1.00 2.34 N ATOM 465 CA LEU A 31 -4.203 -6.669 -2.722 1.00 24.40 C ATOM 466 C LEU A 31 -5.190 -7.669 -3.316 1.00 61.35 C ATOM 467 O LEU A 31 -5.026 -8.863 -3.078 1.00 32.24 O ATOM 468 CB LEU A 31 -4.714 -6.109 -1.386 1.00 32.24 C ATOM 469 CG LEU A 31 -3.584 -5.773 -0.395 1.00 1.25 C ATOM 470 CD1 LEU A 31 -4.116 -4.980 0.807 1.00 53.13 C ATOM 471 CD2 LEU A 31 -2.894 -7.051 0.115 1.00 20.33 C ATOM 0 H LEU A 31 -4.196 -4.675 -3.350 1.00 2.34 H new ATOM 0 HA LEU A 31 -3.270 -7.193 -2.516 1.00 24.40 H new ATOM 0 HB2 LEU A 31 -5.300 -5.210 -1.577 1.00 32.24 H new ATOM 0 HB3 LEU A 31 -5.385 -6.836 -0.928 1.00 32.24 H new ATOM 0 HG LEU A 31 -2.859 -5.163 -0.935 1.00 1.25 H new ATOM 0 HD11 LEU A 31 -3.295 -4.758 1.489 1.00 53.13 H new ATOM 0 HD12 LEU A 31 -4.561 -4.048 0.460 1.00 53.13 H new ATOM 0 HD13 LEU A 31 -4.870 -5.571 1.328 1.00 53.13 H new ATOM 0 HD21 LEU A 31 -2.101 -6.783 0.813 1.00 20.33 H new ATOM 0 HD22 LEU A 31 -3.625 -7.682 0.621 1.00 20.33 H new ATOM 0 HD23 LEU A 31 -2.467 -7.595 -0.728 1.00 20.33 H new ATOM 483 N GLY A 32 -6.120 -7.218 -4.160 1.00 75.22 N ATOM 484 CA GLY A 32 -7.039 -8.069 -4.906 1.00 63.10 C ATOM 485 C GLY A 32 -8.488 -7.933 -4.441 1.00 1.45 C ATOM 486 O GLY A 32 -9.317 -8.747 -4.844 1.00 22.14 O ATOM 0 H GLY A 32 -6.255 -6.224 -4.346 1.00 75.22 H new ATOM 0 HA2 GLY A 32 -6.978 -7.819 -5.965 1.00 63.10 H new ATOM 0 HA3 GLY A 32 -6.727 -9.108 -4.805 1.00 63.10 H new ATOM 490 N TYR A 33 -8.787 -6.967 -3.564 1.00 33.31 N ATOM 491 CA TYR A 33 -10.090 -6.891 -2.926 1.00 54.41 C ATOM 492 C TYR A 33 -11.185 -6.381 -3.863 1.00 42.13 C ATOM 493 O TYR A 33 -12.284 -6.890 -3.770 1.00 30.22 O ATOM 494 CB TYR A 33 -10.055 -5.994 -1.691 1.00 51.42 C ATOM 495 CG TYR A 33 -9.370 -6.561 -0.463 1.00 72.41 C ATOM 496 CD1 TYR A 33 -10.040 -7.466 0.392 1.00 12.04 C ATOM 497 CD2 TYR A 33 -8.095 -6.086 -0.119 1.00 41.41 C ATOM 498 CE1 TYR A 33 -9.449 -7.874 1.608 1.00 40.11 C ATOM 499 CE2 TYR A 33 -7.494 -6.504 1.076 1.00 33.02 C ATOM 500 CZ TYR A 33 -8.164 -7.386 1.950 1.00 10.35 C ATOM 501 OH TYR A 33 -7.540 -7.724 3.111 1.00 35.13 O ATOM 0 H TYR A 33 -8.138 -6.231 -3.285 1.00 33.31 H new ATOM 0 HA TYR A 33 -10.330 -7.915 -2.639 1.00 54.41 H new ATOM 0 HB2 TYR A 33 -9.557 -5.062 -1.960 1.00 51.42 H new ATOM 0 HB3 TYR A 33 -11.081 -5.741 -1.423 1.00 51.42 H new ATOM 0 HD1 TYR A 33 -11.011 -7.848 0.113 1.00 12.04 H new ATOM 0 HD2 TYR A 33 -7.578 -5.400 -0.774 1.00 41.41 H new ATOM 0 HE1 TYR A 33 -9.971 -8.550 2.269 1.00 40.11 H new ATOM 0 HE2 TYR A 33 -6.507 -6.147 1.331 1.00 33.02 H new ATOM 0 HH TYR A 33 -7.427 -8.697 3.150 1.00 35.13 H new ATOM 511 N VAL A 34 -10.956 -5.332 -4.664 1.00 35.41 N ATOM 512 CA VAL A 34 -11.859 -4.818 -5.712 1.00 3.15 C ATOM 513 C VAL A 34 -13.346 -4.767 -5.304 1.00 64.10 C ATOM 514 O VAL A 34 -14.073 -5.756 -5.434 1.00 20.51 O ATOM 515 CB VAL A 34 -11.585 -5.399 -7.113 1.00 65.41 C ATOM 516 CG1 VAL A 34 -11.642 -6.931 -7.214 1.00 54.21 C ATOM 517 CG2 VAL A 34 -12.518 -4.732 -8.129 1.00 5.40 C ATOM 0 H VAL A 34 -10.095 -4.790 -4.599 1.00 35.41 H new ATOM 0 HA VAL A 34 -11.594 -3.765 -5.812 1.00 3.15 H new ATOM 0 HB VAL A 34 -10.545 -5.166 -7.340 1.00 65.41 H new ATOM 0 HG11 VAL A 34 -11.435 -7.236 -8.240 1.00 54.21 H new ATOM 0 HG12 VAL A 34 -10.897 -7.367 -6.549 1.00 54.21 H new ATOM 0 HG13 VAL A 34 -12.634 -7.278 -6.925 1.00 54.21 H new ATOM 0 HG21 VAL A 34 -12.327 -5.141 -9.121 1.00 5.40 H new ATOM 0 HG22 VAL A 34 -13.555 -4.923 -7.851 1.00 5.40 H new ATOM 0 HG23 VAL A 34 -12.337 -3.657 -8.138 1.00 5.40 H new ATOM 527 N TRP A 35 -13.816 -3.604 -4.847 1.00 3.21 N ATOM 528 CA TRP A 35 -15.208 -3.406 -4.462 1.00 4.51 C ATOM 529 C TRP A 35 -16.162 -3.917 -5.544 1.00 33.15 C ATOM 530 O TRP A 35 -16.202 -3.403 -6.670 1.00 43.02 O ATOM 531 CB TRP A 35 -15.457 -1.932 -4.170 1.00 35.12 C ATOM 532 CG TRP A 35 -16.889 -1.589 -3.900 1.00 65.23 C ATOM 533 CD1 TRP A 35 -17.745 -1.154 -4.848 1.00 44.25 C ATOM 534 CD2 TRP A 35 -17.684 -1.745 -2.685 1.00 1.12 C ATOM 535 NE1 TRP A 35 -19.001 -0.998 -4.310 1.00 5.50 N ATOM 536 CE2 TRP A 35 -19.026 -1.357 -2.980 1.00 10.42 C ATOM 537 CE3 TRP A 35 -17.421 -2.197 -1.373 1.00 14.20 C ATOM 538 CZ2 TRP A 35 -20.046 -1.400 -2.021 1.00 74.41 C ATOM 539 CZ3 TRP A 35 -18.441 -2.249 -0.401 1.00 65.21 C ATOM 540 CH2 TRP A 35 -19.749 -1.844 -0.725 1.00 64.20 C ATOM 0 H TRP A 35 -13.236 -2.772 -4.735 1.00 3.21 H new ATOM 0 HA TRP A 35 -15.403 -3.983 -3.558 1.00 4.51 H new ATOM 0 HB2 TRP A 35 -14.857 -1.638 -3.309 1.00 35.12 H new ATOM 0 HB3 TRP A 35 -15.108 -1.342 -5.018 1.00 35.12 H new ATOM 0 HD1 TRP A 35 -17.483 -0.957 -5.877 1.00 44.25 H new ATOM 0 HE1 TRP A 35 -19.811 -0.660 -4.829 1.00 5.50 H new ATOM 0 HE3 TRP A 35 -16.421 -2.508 -1.110 1.00 14.20 H new ATOM 0 HZ2 TRP A 35 -21.050 -1.095 -2.277 1.00 74.41 H new ATOM 0 HZ3 TRP A 35 -18.218 -2.601 0.595 1.00 65.21 H new ATOM 0 HH2 TRP A 35 -20.525 -1.875 0.026 1.00 64.20 H new ATOM 551 N ASP A 36 -16.910 -4.957 -5.183 1.00 3.33 N ATOM 552 CA ASP A 36 -17.887 -5.595 -6.034 1.00 12.22 C ATOM 553 C ASP A 36 -19.218 -4.914 -5.812 1.00 3.55 C ATOM 554 O ASP A 36 -19.964 -5.299 -4.919 1.00 50.42 O ATOM 555 CB ASP A 36 -17.962 -7.096 -5.740 1.00 60.42 C ATOM 556 CG ASP A 36 -18.500 -7.812 -6.964 1.00 31.54 C ATOM 557 OD1 ASP A 36 -19.697 -7.678 -7.298 1.00 53.04 O ATOM 558 OD2 ASP A 36 -17.681 -8.467 -7.649 1.00 74.23 O ATOM 0 H ASP A 36 -16.844 -5.385 -4.260 1.00 3.33 H new ATOM 0 HA ASP A 36 -17.601 -5.496 -7.081 1.00 12.22 H new ATOM 0 HB2 ASP A 36 -16.974 -7.479 -5.483 1.00 60.42 H new ATOM 0 HB3 ASP A 36 -18.608 -7.280 -4.882 1.00 60.42 H new ATOM 563 N GLU A 37 -19.507 -3.865 -6.577 1.00 65.13 N ATOM 564 CA GLU A 37 -20.722 -3.073 -6.405 1.00 5.45 C ATOM 565 C GLU A 37 -21.983 -3.937 -6.511 1.00 13.55 C ATOM 566 O GLU A 37 -22.941 -3.713 -5.775 1.00 21.04 O ATOM 567 CB GLU A 37 -20.712 -1.949 -7.447 1.00 32.33 C ATOM 568 CG GLU A 37 -21.981 -1.083 -7.414 1.00 54.13 C ATOM 569 CD GLU A 37 -22.004 -0.035 -8.525 1.00 61.23 C ATOM 570 OE1 GLU A 37 -21.581 -0.352 -9.663 1.00 1.22 O ATOM 571 OE2 GLU A 37 -22.532 1.078 -8.304 1.00 43.41 O ATOM 0 H GLU A 37 -18.906 -3.540 -7.334 1.00 65.13 H new ATOM 0 HA GLU A 37 -20.740 -2.642 -5.404 1.00 5.45 H new ATOM 0 HB2 GLU A 37 -19.842 -1.314 -7.279 1.00 32.33 H new ATOM 0 HB3 GLU A 37 -20.602 -2.384 -8.440 1.00 32.33 H new ATOM 0 HG2 GLU A 37 -22.857 -1.725 -7.506 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -22.052 -0.584 -6.447 1.00 54.13 H new ATOM 578 N ALA A 38 -21.966 -4.957 -7.372 1.00 11.14 N ATOM 579 CA ALA A 38 -23.113 -5.828 -7.598 1.00 43.34 C ATOM 580 C ALA A 38 -23.434 -6.678 -6.369 1.00 63.04 C ATOM 581 O ALA A 38 -24.541 -7.209 -6.267 1.00 73.33 O ATOM 582 CB ALA A 38 -22.836 -6.741 -8.794 1.00 40.51 C ATOM 0 H ALA A 38 -21.150 -5.200 -7.933 1.00 11.14 H new ATOM 0 HA ALA A 38 -23.977 -5.195 -7.800 1.00 43.34 H new ATOM 0 HB1 ALA A 38 -23.694 -7.392 -8.962 1.00 40.51 H new ATOM 0 HB2 ALA A 38 -22.662 -6.134 -9.682 1.00 40.51 H new ATOM 0 HB3 ALA A 38 -21.954 -7.349 -8.591 1.00 40.51 H new ATOM 588 N GLN A 39 -22.468 -6.846 -5.465 1.00 0.22 N ATOM 589 CA GLN A 39 -22.590 -7.609 -4.229 1.00 41.24 C ATOM 590 C GLN A 39 -22.474 -6.679 -3.012 1.00 22.05 C ATOM 591 O GLN A 39 -22.810 -7.067 -1.891 1.00 34.15 O ATOM 592 CB GLN A 39 -21.544 -8.736 -4.248 1.00 42.20 C ATOM 593 CG GLN A 39 -21.848 -9.737 -5.366 1.00 44.02 C ATOM 594 CD GLN A 39 -20.702 -10.689 -5.665 1.00 64.35 C ATOM 595 OE1 GLN A 39 -20.416 -11.609 -4.900 1.00 34.32 O ATOM 596 NE2 GLN A 39 -20.020 -10.499 -6.777 1.00 41.42 N ATOM 0 H GLN A 39 -21.542 -6.436 -5.582 1.00 0.22 H new ATOM 0 HA GLN A 39 -23.573 -8.073 -4.149 1.00 41.24 H new ATOM 0 HB2 GLN A 39 -20.549 -8.314 -4.392 1.00 42.20 H new ATOM 0 HB3 GLN A 39 -21.537 -9.249 -3.286 1.00 42.20 H new ATOM 0 HG2 GLN A 39 -22.728 -10.318 -5.091 1.00 44.02 H new ATOM 0 HG3 GLN A 39 -22.099 -9.188 -6.274 1.00 44.02 H new ATOM 0 HE21 GLN A 39 -20.268 -9.732 -7.403 1.00 41.42 H new ATOM 0 HE22 GLN A 39 -19.245 -11.119 -7.012 1.00 41.42 H new ATOM 605 N SER A 40 -22.045 -5.435 -3.236 1.00 13.43 N ATOM 606 CA SER A 40 -21.687 -4.429 -2.257 1.00 41.12 C ATOM 607 C SER A 40 -20.714 -4.989 -1.220 1.00 72.45 C ATOM 608 O SER A 40 -20.826 -4.670 -0.034 1.00 51.33 O ATOM 609 CB SER A 40 -22.988 -3.818 -1.737 1.00 2.22 C ATOM 610 OG SER A 40 -22.865 -2.901 -0.670 1.00 24.53 O ATOM 0 H SER A 40 -21.933 -5.086 -4.188 1.00 13.43 H new ATOM 0 HA SER A 40 -21.113 -3.607 -2.684 1.00 41.12 H new ATOM 0 HB2 SER A 40 -23.485 -3.314 -2.566 1.00 2.22 H new ATOM 0 HB3 SER A 40 -23.643 -4.628 -1.418 1.00 2.22 H new ATOM 0 HG SER A 40 -22.143 -3.189 -0.073 1.00 24.53 H new ATOM 616 N CYS A 41 -19.761 -5.820 -1.651 1.00 44.35 N ATOM 617 CA CYS A 41 -18.714 -6.312 -0.762 1.00 65.35 C ATOM 618 C CYS A 41 -17.385 -6.390 -1.493 1.00 2.31 C ATOM 619 O CYS A 41 -17.324 -6.592 -2.706 1.00 23.52 O ATOM 620 CB CYS A 41 -19.059 -7.704 -0.205 1.00 23.15 C ATOM 621 SG CYS A 41 -20.597 -7.701 0.763 1.00 41.41 S ATOM 0 H CYS A 41 -19.696 -6.164 -2.609 1.00 44.35 H new ATOM 0 HA CYS A 41 -18.638 -5.608 0.067 1.00 65.35 H new ATOM 0 HB2 CYS A 41 -19.154 -8.409 -1.031 1.00 23.15 H new ATOM 0 HB3 CYS A 41 -18.239 -8.055 0.422 1.00 23.15 H new ATOM 0 HG CYS A 41 -21.038 -6.483 0.873 1.00 41.41 H new ATOM 627 N TRP A 42 -16.316 -6.321 -0.715 1.00 21.30 N ATOM 628 CA TRP A 42 -14.954 -6.556 -1.151 1.00 23.44 C ATOM 629 C TRP A 42 -14.852 -8.021 -1.571 1.00 44.54 C ATOM 630 O TRP A 42 -15.207 -8.917 -0.804 1.00 20.02 O ATOM 631 CB TRP A 42 -14.031 -6.217 0.024 1.00 42.40 C ATOM 632 CG TRP A 42 -14.276 -4.832 0.560 1.00 42.45 C ATOM 633 CD1 TRP A 42 -14.953 -4.496 1.689 1.00 4.10 C ATOM 634 CD2 TRP A 42 -13.918 -3.568 -0.073 1.00 54.11 C ATOM 635 NE1 TRP A 42 -15.075 -3.124 1.760 1.00 4.25 N ATOM 636 CE2 TRP A 42 -14.382 -2.499 0.746 1.00 54.22 C ATOM 637 CE3 TRP A 42 -13.230 -3.223 -1.255 1.00 52.15 C ATOM 638 CZ2 TRP A 42 -14.125 -1.158 0.433 1.00 11.21 C ATOM 639 CZ3 TRP A 42 -12.939 -1.881 -1.563 1.00 12.41 C ATOM 640 CH2 TRP A 42 -13.386 -0.849 -0.720 1.00 44.31 C ATOM 0 H TRP A 42 -16.379 -6.090 0.277 1.00 21.30 H new ATOM 0 HA TRP A 42 -14.664 -5.939 -2.001 1.00 23.44 H new ATOM 0 HB2 TRP A 42 -14.179 -6.945 0.822 1.00 42.40 H new ATOM 0 HB3 TRP A 42 -12.993 -6.302 -0.296 1.00 42.40 H new ATOM 0 HD1 TRP A 42 -15.336 -5.195 2.418 1.00 4.10 H new ATOM 0 HE1 TRP A 42 -15.612 -2.633 2.475 1.00 4.25 H new ATOM 0 HE3 TRP A 42 -12.921 -4.002 -1.936 1.00 52.15 H new ATOM 0 HZ2 TRP A 42 -14.492 -0.369 1.073 1.00 11.21 H new ATOM 0 HZ3 TRP A 42 -12.370 -1.643 -2.450 1.00 12.41 H new ATOM 0 HH2 TRP A 42 -13.161 0.180 -0.959 1.00 44.31 H new ATOM 651 N LYS A 43 -14.455 -8.288 -2.811 1.00 1.12 N ATOM 652 CA LYS A 43 -14.067 -9.580 -3.297 1.00 53.22 C ATOM 653 C LYS A 43 -12.897 -10.103 -2.465 1.00 72.31 C ATOM 654 O LYS A 43 -12.096 -9.331 -1.945 1.00 24.44 O ATOM 655 CB LYS A 43 -13.649 -9.337 -4.759 1.00 0.52 C ATOM 656 CG LYS A 43 -14.410 -10.292 -5.639 1.00 25.23 C ATOM 657 CD LYS A 43 -13.896 -10.273 -7.081 1.00 32.31 C ATOM 658 CE LYS A 43 -14.727 -9.357 -7.971 1.00 40.10 C ATOM 659 NZ LYS A 43 -15.257 -10.040 -9.165 1.00 53.51 N ATOM 0 H LYS A 43 -14.397 -7.565 -3.528 1.00 1.12 H new ATOM 0 HA LYS A 43 -14.862 -10.323 -3.229 1.00 53.22 H new ATOM 0 HB2 LYS A 43 -13.860 -8.307 -5.047 1.00 0.52 H new ATOM 0 HB3 LYS A 43 -12.576 -9.488 -4.876 1.00 0.52 H new ATOM 0 HG2 LYS A 43 -14.326 -11.302 -5.237 1.00 25.23 H new ATOM 0 HG3 LYS A 43 -15.468 -10.031 -5.627 1.00 25.23 H new ATOM 0 HD2 LYS A 43 -12.857 -9.944 -7.091 1.00 32.31 H new ATOM 0 HD3 LYS A 43 -13.913 -11.285 -7.486 1.00 32.31 H new ATOM 0 HE2 LYS A 43 -15.557 -8.952 -7.392 1.00 40.10 H new ATOM 0 HE3 LYS A 43 -14.115 -8.511 -8.285 1.00 40.10 H new ATOM 0 HZ1 LYS A 43 -15.813 -9.368 -9.731 1.00 53.51 H new ATOM 0 HZ2 LYS A 43 -14.468 -10.404 -9.736 1.00 53.51 H new ATOM 0 HZ3 LYS A 43 -15.865 -10.831 -8.871 1.00 53.51 H new ATOM 673 N THR A 44 -12.734 -11.422 -2.405 1.00 44.03 N ATOM 674 CA THR A 44 -11.651 -12.034 -1.634 1.00 25.51 C ATOM 675 C THR A 44 -10.947 -13.150 -2.420 1.00 62.12 C ATOM 676 O THR A 44 -9.987 -13.751 -1.941 1.00 72.31 O ATOM 677 CB THR A 44 -12.211 -12.478 -0.268 1.00 12.50 C ATOM 678 OG1 THR A 44 -13.384 -13.264 -0.433 1.00 13.33 O ATOM 679 CG2 THR A 44 -12.573 -11.275 0.610 1.00 34.32 C ATOM 0 H THR A 44 -13.339 -12.091 -2.882 1.00 44.03 H new ATOM 0 HA THR A 44 -10.863 -11.305 -1.448 1.00 25.51 H new ATOM 0 HB THR A 44 -11.427 -13.062 0.214 1.00 12.50 H new ATOM 0 HG1 THR A 44 -13.722 -13.536 0.446 1.00 13.33 H new ATOM 0 HG21 THR A 44 -12.964 -11.626 1.565 1.00 34.32 H new ATOM 0 HG22 THR A 44 -11.683 -10.670 0.783 1.00 34.32 H new ATOM 0 HG23 THR A 44 -13.329 -10.672 0.107 1.00 34.32 H new ATOM 687 N ASP A 45 -11.383 -13.432 -3.651 1.00 20.10 N ATOM 688 CA ASP A 45 -10.874 -14.547 -4.448 1.00 11.25 C ATOM 689 C ASP A 45 -9.502 -14.214 -5.005 1.00 44.42 C ATOM 690 O ASP A 45 -8.624 -15.070 -5.043 1.00 22.25 O ATOM 691 CB ASP A 45 -11.828 -14.859 -5.606 1.00 52.33 C ATOM 692 CG ASP A 45 -12.934 -15.854 -5.250 1.00 31.25 C ATOM 693 OD1 ASP A 45 -13.055 -16.258 -4.073 1.00 3.43 O ATOM 694 OD2 ASP A 45 -13.696 -16.233 -6.172 1.00 10.34 O ATOM 0 H ASP A 45 -12.104 -12.888 -4.124 1.00 20.10 H new ATOM 0 HA ASP A 45 -10.799 -15.420 -3.800 1.00 11.25 H new ATOM 0 HB2 ASP A 45 -12.285 -13.930 -5.947 1.00 52.33 H new ATOM 0 HB3 ASP A 45 -11.251 -15.256 -6.441 1.00 52.33 H new ATOM 699 N LEU A 46 -9.298 -12.964 -5.429 1.00 22.44 N ATOM 700 CA LEU A 46 -8.054 -12.529 -6.048 1.00 54.11 C ATOM 701 C LEU A 46 -7.014 -12.138 -4.990 1.00 42.14 C ATOM 702 O LEU A 46 -5.971 -11.580 -5.344 1.00 42.13 O ATOM 703 CB LEU A 46 -8.273 -11.344 -7.005 1.00 4.53 C ATOM 704 CG LEU A 46 -9.355 -11.469 -8.089 1.00 73.14 C ATOM 705 CD1 LEU A 46 -10.780 -11.359 -7.548 1.00 60.15 C ATOM 706 CD2 LEU A 46 -9.165 -10.308 -9.071 1.00 14.51 C ATOM 0 H LEU A 46 -9.997 -12.226 -5.350 1.00 22.44 H new ATOM 0 HA LEU A 46 -7.682 -13.377 -6.623 1.00 54.11 H new ATOM 0 HB2 LEU A 46 -8.509 -10.468 -6.400 1.00 4.53 H new ATOM 0 HB3 LEU A 46 -7.325 -11.141 -7.504 1.00 4.53 H new ATOM 0 HG LEU A 46 -9.242 -12.454 -8.542 1.00 73.14 H new ATOM 0 HD11 LEU A 46 -11.490 -11.456 -8.370 1.00 60.15 H new ATOM 0 HD12 LEU A 46 -10.955 -12.152 -6.821 1.00 60.15 H new ATOM 0 HD13 LEU A 46 -10.913 -10.390 -7.067 1.00 60.15 H new ATOM 0 HD21 LEU A 46 -9.920 -10.368 -9.855 1.00 14.51 H new ATOM 0 HD22 LEU A 46 -9.268 -9.362 -8.540 1.00 14.51 H new ATOM 0 HD23 LEU A 46 -8.172 -10.368 -9.517 1.00 14.51 H new ATOM 718 N VAL A 47 -7.335 -12.339 -3.713 1.00 11.12 N ATOM 719 CA VAL A 47 -6.506 -12.018 -2.564 1.00 11.52 C ATOM 720 C VAL A 47 -5.816 -13.320 -2.133 1.00 51.11 C ATOM 721 O VAL A 47 -6.356 -14.418 -2.327 1.00 10.04 O ATOM 722 CB VAL A 47 -7.395 -11.392 -1.458 1.00 1.23 C ATOM 723 CG1 VAL A 47 -6.562 -10.862 -0.287 1.00 2.41 C ATOM 724 CG2 VAL A 47 -8.245 -10.211 -1.965 1.00 51.11 C ATOM 0 H VAL A 47 -8.228 -12.752 -3.443 1.00 11.12 H new ATOM 0 HA VAL A 47 -5.736 -11.280 -2.789 1.00 11.52 H new ATOM 0 HB VAL A 47 -8.045 -12.207 -1.139 1.00 1.23 H new ATOM 0 HG11 VAL A 47 -7.224 -10.432 0.465 1.00 2.41 H new ATOM 0 HG12 VAL A 47 -5.994 -11.680 0.155 1.00 2.41 H new ATOM 0 HG13 VAL A 47 -5.875 -10.096 -0.647 1.00 2.41 H new ATOM 0 HG21 VAL A 47 -8.845 -9.816 -1.145 1.00 51.11 H new ATOM 0 HG22 VAL A 47 -7.589 -9.428 -2.345 1.00 51.11 H new ATOM 0 HG23 VAL A 47 -8.903 -10.553 -2.764 1.00 51.11 H new ATOM 734 N ALA A 48 -4.618 -13.218 -1.551 1.00 74.42 N ATOM 735 CA ALA A 48 -3.978 -14.355 -0.906 1.00 15.34 C ATOM 736 C ALA A 48 -4.827 -14.805 0.292 1.00 54.52 C ATOM 737 O ALA A 48 -5.497 -13.973 0.913 1.00 51.43 O ATOM 738 CB ALA A 48 -2.572 -13.958 -0.450 1.00 72.23 C ATOM 0 H ALA A 48 -4.075 -12.355 -1.516 1.00 74.42 H new ATOM 0 HA ALA A 48 -3.896 -15.183 -1.610 1.00 15.34 H new ATOM 0 HB1 ALA A 48 -2.092 -14.809 0.033 1.00 72.23 H new ATOM 0 HB2 ALA A 48 -1.982 -13.651 -1.314 1.00 72.23 H new ATOM 0 HB3 ALA A 48 -2.639 -13.130 0.256 1.00 72.23 H new ATOM 744 N PRO A 49 -4.759 -16.081 0.698 1.00 21.34 N ATOM 745 CA PRO A 49 -5.560 -16.570 1.806 1.00 44.41 C ATOM 746 C PRO A 49 -5.171 -15.849 3.095 1.00 21.33 C ATOM 747 O PRO A 49 -6.054 -15.462 3.852 1.00 72.31 O ATOM 748 CB PRO A 49 -5.354 -18.081 1.854 1.00 42.14 C ATOM 749 CG PRO A 49 -4.019 -18.295 1.146 1.00 64.52 C ATOM 750 CD PRO A 49 -3.907 -17.129 0.169 1.00 44.25 C ATOM 0 HA PRO A 49 -6.623 -16.365 1.679 1.00 44.41 H new ATOM 0 HB2 PRO A 49 -5.325 -18.447 2.880 1.00 42.14 H new ATOM 0 HB3 PRO A 49 -6.163 -18.610 1.350 1.00 42.14 H new ATOM 0 HG2 PRO A 49 -3.191 -18.298 1.855 1.00 64.52 H new ATOM 0 HG3 PRO A 49 -3.996 -19.252 0.625 1.00 64.52 H new ATOM 0 HD2 PRO A 49 -2.875 -16.788 0.085 1.00 44.25 H new ATOM 0 HD3 PRO A 49 -4.227 -17.425 -0.830 1.00 44.25 H new ATOM 758 N GLU A 50 -3.883 -15.568 3.317 1.00 14.22 N ATOM 759 CA GLU A 50 -3.450 -14.840 4.503 1.00 62.11 C ATOM 760 C GLU A 50 -3.996 -13.409 4.564 1.00 71.11 C ATOM 761 O GLU A 50 -4.055 -12.853 5.654 1.00 34.23 O ATOM 762 CB GLU A 50 -1.921 -14.885 4.633 1.00 11.30 C ATOM 763 CG GLU A 50 -1.128 -14.098 3.576 1.00 20.41 C ATOM 764 CD GLU A 50 0.369 -14.429 3.673 1.00 31.33 C ATOM 765 OE1 GLU A 50 0.756 -15.535 3.237 1.00 52.44 O ATOM 766 OE2 GLU A 50 1.169 -13.631 4.228 1.00 14.34 O ATOM 0 H GLU A 50 -3.126 -15.836 2.688 1.00 14.22 H new ATOM 0 HA GLU A 50 -3.879 -15.347 5.367 1.00 62.11 H new ATOM 0 HB2 GLU A 50 -1.649 -14.506 5.618 1.00 11.30 H new ATOM 0 HB3 GLU A 50 -1.604 -15.927 4.594 1.00 11.30 H new ATOM 0 HG2 GLU A 50 -1.497 -14.342 2.580 1.00 20.41 H new ATOM 0 HG3 GLU A 50 -1.280 -13.028 3.720 1.00 20.41 H new ATOM 773 N TRP A 51 -4.424 -12.810 3.446 1.00 64.52 N ATOM 774 CA TRP A 51 -4.949 -11.445 3.423 1.00 1.23 C ATOM 775 C TRP A 51 -6.473 -11.385 3.439 1.00 24.35 C ATOM 776 O TRP A 51 -7.014 -10.304 3.652 1.00 22.52 O ATOM 777 CB TRP A 51 -4.387 -10.678 2.223 1.00 23.32 C ATOM 778 CG TRP A 51 -3.068 -10.041 2.477 1.00 30.24 C ATOM 779 CD1 TRP A 51 -1.884 -10.519 2.055 1.00 43.15 C ATOM 780 CD2 TRP A 51 -2.782 -8.798 3.178 1.00 34.14 C ATOM 781 NE1 TRP A 51 -0.873 -9.693 2.499 1.00 65.50 N ATOM 782 CE2 TRP A 51 -1.372 -8.584 3.149 1.00 65.52 C ATOM 783 CE3 TRP A 51 -3.577 -7.820 3.812 1.00 15.31 C ATOM 784 CZ2 TRP A 51 -0.771 -7.443 3.705 1.00 33.34 C ATOM 785 CZ3 TRP A 51 -2.991 -6.673 4.375 1.00 72.22 C ATOM 786 CH2 TRP A 51 -1.600 -6.485 4.319 1.00 44.21 C ATOM 0 H TRP A 51 -4.415 -13.262 2.532 1.00 64.52 H new ATOM 0 HA TRP A 51 -4.617 -10.967 4.345 1.00 1.23 H new ATOM 0 HB2 TRP A 51 -4.292 -11.362 1.380 1.00 23.32 H new ATOM 0 HB3 TRP A 51 -5.101 -9.908 1.930 1.00 23.32 H new ATOM 0 HD1 TRP A 51 -1.746 -11.411 1.461 1.00 43.15 H new ATOM 0 HE1 TRP A 51 0.121 -9.879 2.363 1.00 65.50 H new ATOM 0 HE3 TRP A 51 -4.647 -7.954 3.865 1.00 15.31 H new ATOM 0 HZ2 TRP A 51 0.299 -7.304 3.663 1.00 33.34 H new ATOM 0 HZ3 TRP A 51 -3.614 -5.932 4.854 1.00 72.22 H new ATOM 0 HH2 TRP A 51 -1.162 -5.597 4.751 1.00 44.21 H new ATOM 797 N ARG A 52 -7.179 -12.501 3.251 1.00 51.14 N ATOM 798 CA ARG A 52 -8.615 -12.579 3.510 1.00 44.15 C ATOM 799 C ARG A 52 -8.906 -13.291 4.834 1.00 1.43 C ATOM 800 O ARG A 52 -10.026 -13.199 5.315 1.00 50.21 O ATOM 801 CB ARG A 52 -9.311 -13.213 2.306 1.00 43.20 C ATOM 802 CG ARG A 52 -9.097 -14.725 2.187 1.00 51.33 C ATOM 803 CD ARG A 52 -9.366 -15.154 0.748 1.00 2.23 C ATOM 804 NE ARG A 52 -9.613 -16.589 0.645 1.00 40.11 N ATOM 805 CZ ARG A 52 -9.957 -17.222 -0.475 1.00 30.50 C ATOM 806 NH1 ARG A 52 -9.883 -16.603 -1.648 1.00 53.12 N ATOM 807 NH2 ARG A 52 -10.395 -18.469 -0.385 1.00 21.21 N ATOM 0 H ARG A 52 -6.771 -13.374 2.916 1.00 51.14 H new ATOM 0 HA ARG A 52 -9.024 -11.576 3.632 1.00 44.15 H new ATOM 0 HB2 ARG A 52 -10.380 -13.012 2.370 1.00 43.20 H new ATOM 0 HB3 ARG A 52 -8.950 -12.733 1.396 1.00 43.20 H new ATOM 0 HG2 ARG A 52 -8.078 -14.984 2.473 1.00 51.33 H new ATOM 0 HG3 ARG A 52 -9.763 -15.254 2.868 1.00 51.33 H new ATOM 0 HD2 ARG A 52 -10.227 -14.609 0.362 1.00 2.23 H new ATOM 0 HD3 ARG A 52 -8.513 -14.887 0.124 1.00 2.23 H new ATOM 0 HE ARG A 52 -9.515 -17.148 1.493 1.00 40.11 H new ATOM 0 HH11 ARG A 52 -9.561 -15.636 -1.695 1.00 53.12 H new ATOM 0 HH12 ARG A 52 -10.148 -17.094 -2.502 1.00 53.12 H new ATOM 0 HH21 ARG A 52 -10.462 -18.921 0.527 1.00 21.21 H new ATOM 0 HH22 ARG A 52 -10.665 -18.977 -1.227 1.00 21.21 H new ATOM 821 N GLN A 53 -7.899 -13.949 5.424 1.00 71.35 N ATOM 822 CA GLN A 53 -8.012 -15.018 6.411 1.00 14.23 C ATOM 823 C GLN A 53 -9.025 -14.711 7.507 1.00 50.24 C ATOM 824 O GLN A 53 -9.941 -15.494 7.733 1.00 4.43 O ATOM 825 CB GLN A 53 -6.613 -15.346 6.980 1.00 61.03 C ATOM 826 CG GLN A 53 -6.321 -16.851 6.918 1.00 23.43 C ATOM 827 CD GLN A 53 -4.901 -17.198 7.375 1.00 51.34 C ATOM 828 OE1 GLN A 53 -4.387 -16.671 8.359 1.00 44.42 O ATOM 829 NE2 GLN A 53 -4.227 -18.117 6.704 1.00 3.14 N ATOM 0 H GLN A 53 -6.926 -13.732 5.208 1.00 71.35 H new ATOM 0 HA GLN A 53 -8.402 -15.903 5.907 1.00 14.23 H new ATOM 0 HB2 GLN A 53 -5.854 -14.803 6.417 1.00 61.03 H new ATOM 0 HB3 GLN A 53 -6.550 -15.004 8.013 1.00 61.03 H new ATOM 0 HG2 GLN A 53 -7.039 -17.382 7.543 1.00 23.43 H new ATOM 0 HG3 GLN A 53 -6.466 -17.203 5.897 1.00 23.43 H new ATOM 0 HE21 GLN A 53 -4.645 -18.560 5.886 1.00 3.14 H new ATOM 0 HE22 GLN A 53 -3.289 -18.383 7.005 1.00 3.14 H new ATOM 838 N ASP A 54 -8.841 -13.563 8.156 1.00 25.04 N ATOM 839 CA ASP A 54 -9.689 -13.041 9.225 1.00 61.23 C ATOM 840 C ASP A 54 -9.987 -11.561 8.927 1.00 23.41 C ATOM 841 O ASP A 54 -10.238 -10.777 9.841 1.00 54.21 O ATOM 842 CB ASP A 54 -8.996 -13.239 10.591 1.00 24.20 C ATOM 843 CG ASP A 54 -9.252 -14.601 11.239 1.00 14.25 C ATOM 844 OD1 ASP A 54 -9.119 -15.638 10.563 1.00 1.32 O ATOM 845 OD2 ASP A 54 -9.421 -14.694 12.481 1.00 15.45 O ATOM 0 H ASP A 54 -8.060 -12.943 7.941 1.00 25.04 H new ATOM 0 HA ASP A 54 -10.635 -13.580 9.271 1.00 61.23 H new ATOM 0 HB2 ASP A 54 -7.922 -13.108 10.462 1.00 24.20 H new ATOM 0 HB3 ASP A 54 -9.333 -12.457 11.272 1.00 24.20 H new ATOM 850 N TYR A 55 -9.894 -11.165 7.650 1.00 3.22 N ATOM 851 CA TYR A 55 -10.031 -9.805 7.135 1.00 0.42 C ATOM 852 C TYR A 55 -11.392 -9.619 6.433 1.00 21.40 C ATOM 853 O TYR A 55 -11.466 -9.658 5.200 1.00 44.32 O ATOM 854 CB TYR A 55 -8.861 -9.489 6.180 1.00 31.44 C ATOM 855 CG TYR A 55 -7.633 -8.886 6.830 1.00 53.03 C ATOM 856 CD1 TYR A 55 -6.944 -9.580 7.843 1.00 1.42 C ATOM 857 CD2 TYR A 55 -7.201 -7.601 6.440 1.00 54.11 C ATOM 858 CE1 TYR A 55 -5.863 -8.973 8.502 1.00 64.15 C ATOM 859 CE2 TYR A 55 -6.111 -7.002 7.078 1.00 32.32 C ATOM 860 CZ TYR A 55 -5.461 -7.667 8.137 1.00 62.44 C ATOM 861 OH TYR A 55 -4.527 -6.985 8.852 1.00 64.34 O ATOM 0 H TYR A 55 -9.709 -11.835 6.903 1.00 3.22 H new ATOM 0 HA TYR A 55 -9.996 -9.104 7.969 1.00 0.42 H new ATOM 0 HB2 TYR A 55 -8.568 -10.410 5.675 1.00 31.44 H new ATOM 0 HB3 TYR A 55 -9.217 -8.803 5.411 1.00 31.44 H new ATOM 0 HD1 TYR A 55 -7.247 -10.581 8.113 1.00 1.42 H new ATOM 0 HD2 TYR A 55 -7.714 -7.078 5.646 1.00 54.11 H new ATOM 0 HE1 TYR A 55 -5.340 -9.502 9.285 1.00 64.15 H new ATOM 0 HE2 TYR A 55 -5.767 -6.029 6.759 1.00 32.32 H new ATOM 0 HH TYR A 55 -4.383 -6.105 8.446 1.00 64.34 H new ATOM 871 N PRO A 56 -12.492 -9.393 7.170 1.00 14.42 N ATOM 872 CA PRO A 56 -13.798 -9.136 6.585 1.00 62.52 C ATOM 873 C PRO A 56 -13.932 -7.723 6.017 1.00 31.40 C ATOM 874 O PRO A 56 -14.983 -7.412 5.456 1.00 4.22 O ATOM 875 CB PRO A 56 -14.794 -9.344 7.730 1.00 41.04 C ATOM 876 CG PRO A 56 -13.995 -8.867 8.936 1.00 10.15 C ATOM 877 CD PRO A 56 -12.601 -9.397 8.616 1.00 44.12 C ATOM 0 HA PRO A 56 -13.972 -9.801 5.739 1.00 62.52 H new ATOM 0 HB2 PRO A 56 -15.705 -8.763 7.589 1.00 41.04 H new ATOM 0 HB3 PRO A 56 -15.093 -10.388 7.826 1.00 41.04 H new ATOM 0 HG2 PRO A 56 -14.008 -7.781 9.031 1.00 10.15 H new ATOM 0 HG3 PRO A 56 -14.383 -9.274 9.870 1.00 10.15 H new ATOM 0 HD2 PRO A 56 -11.832 -8.769 9.067 1.00 44.12 H new ATOM 0 HD3 PRO A 56 -12.465 -10.402 9.014 1.00 44.12 H new ATOM 885 N GLU A 57 -12.931 -6.854 6.142 1.00 53.13 N ATOM 886 CA GLU A 57 -12.956 -5.482 5.638 1.00 34.30 C ATOM 887 C GLU A 57 -11.561 -5.090 5.146 1.00 25.31 C ATOM 888 O GLU A 57 -10.583 -5.766 5.491 1.00 63.32 O ATOM 889 CB GLU A 57 -13.425 -4.544 6.766 1.00 52.35 C ATOM 890 CG GLU A 57 -14.937 -4.674 6.965 1.00 74.13 C ATOM 891 CD GLU A 57 -15.464 -3.716 8.029 1.00 52.35 C ATOM 892 OE1 GLU A 57 -15.089 -3.893 9.215 1.00 55.51 O ATOM 893 OE2 GLU A 57 -16.320 -2.876 7.663 1.00 51.41 O ATOM 0 H GLU A 57 -12.056 -7.091 6.609 1.00 53.13 H new ATOM 0 HA GLU A 57 -13.648 -5.401 4.800 1.00 34.30 H new ATOM 0 HB2 GLU A 57 -12.906 -4.789 7.693 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -13.170 -3.513 6.521 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -15.444 -4.479 6.020 1.00 74.13 H new ATOM 0 HG3 GLU A 57 -15.177 -5.698 7.250 1.00 74.13 H new ATOM 900 N PRO A 58 -11.425 -4.001 4.370 1.00 10.52 N ATOM 901 CA PRO A 58 -10.119 -3.462 4.060 1.00 22.42 C ATOM 902 C PRO A 58 -9.419 -3.011 5.343 1.00 72.02 C ATOM 903 O PRO A 58 -10.075 -2.604 6.313 1.00 71.35 O ATOM 904 CB PRO A 58 -10.340 -2.274 3.124 1.00 65.31 C ATOM 905 CG PRO A 58 -11.805 -1.900 3.321 1.00 54.50 C ATOM 906 CD PRO A 58 -12.461 -3.221 3.718 1.00 3.44 C ATOM 0 HA PRO A 58 -9.486 -4.213 3.587 1.00 22.42 H new ATOM 0 HB2 PRO A 58 -9.681 -1.443 3.375 1.00 65.31 H new ATOM 0 HB3 PRO A 58 -10.135 -2.542 2.088 1.00 65.31 H new ATOM 0 HG2 PRO A 58 -11.925 -1.143 4.096 1.00 54.50 H new ATOM 0 HG3 PRO A 58 -12.241 -1.494 2.409 1.00 54.50 H new ATOM 0 HD2 PRO A 58 -13.303 -3.052 4.389 1.00 3.44 H new ATOM 0 HD3 PRO A 58 -12.850 -3.742 2.843 1.00 3.44 H new ATOM 914 N PRO A 59 -8.080 -2.988 5.326 1.00 41.11 N ATOM 915 CA PRO A 59 -7.334 -2.269 6.334 1.00 62.24 C ATOM 916 C PRO A 59 -7.606 -0.758 6.206 1.00 14.11 C ATOM 917 O PRO A 59 -8.183 -0.285 5.224 1.00 75.24 O ATOM 918 CB PRO A 59 -5.878 -2.670 6.078 1.00 52.23 C ATOM 919 CG PRO A 59 -5.807 -3.029 4.595 1.00 15.10 C ATOM 920 CD PRO A 59 -7.211 -3.542 4.293 1.00 2.24 C ATOM 0 HA PRO A 59 -7.613 -2.509 7.360 1.00 62.24 H new ATOM 0 HB2 PRO A 59 -5.198 -1.852 6.317 1.00 52.23 H new ATOM 0 HB3 PRO A 59 -5.589 -3.517 6.701 1.00 52.23 H new ATOM 0 HG2 PRO A 59 -5.554 -2.163 3.983 1.00 15.10 H new ATOM 0 HG3 PRO A 59 -5.050 -3.789 4.400 1.00 15.10 H new ATOM 0 HD2 PRO A 59 -7.535 -3.226 3.301 1.00 2.24 H new ATOM 0 HD3 PRO A 59 -7.238 -4.632 4.305 1.00 2.24 H new ATOM 928 N ASP A 60 -7.120 0.036 7.153 1.00 63.23 N ATOM 929 CA ASP A 60 -7.051 1.494 7.077 1.00 10.31 C ATOM 930 C ASP A 60 -5.640 1.893 7.504 1.00 11.24 C ATOM 931 O ASP A 60 -5.297 1.796 8.688 1.00 32.44 O ATOM 932 CB ASP A 60 -8.128 2.111 7.977 1.00 41.03 C ATOM 933 CG ASP A 60 -8.116 3.634 8.034 1.00 1.45 C ATOM 934 OD1 ASP A 60 -7.176 4.269 7.519 1.00 1.14 O ATOM 935 OD2 ASP A 60 -9.032 4.199 8.672 1.00 3.35 O ATOM 0 H ASP A 60 -6.748 -0.330 8.029 1.00 63.23 H new ATOM 0 HA ASP A 60 -7.242 1.861 6.068 1.00 10.31 H new ATOM 0 HB2 ASP A 60 -9.106 1.782 7.627 1.00 41.03 H new ATOM 0 HB3 ASP A 60 -8.004 1.722 8.988 1.00 41.03 H new ATOM 940 N PHE A 61 -4.780 2.227 6.538 1.00 64.30 N ATOM 941 CA PHE A 61 -3.416 2.702 6.799 1.00 32.14 C ATOM 942 C PHE A 61 -3.361 4.167 7.264 1.00 31.14 C ATOM 943 O PHE A 61 -2.269 4.684 7.498 1.00 21.12 O ATOM 944 CB PHE A 61 -2.540 2.540 5.546 1.00 34.50 C ATOM 945 CG PHE A 61 -2.448 1.133 4.991 1.00 45.43 C ATOM 946 CD1 PHE A 61 -1.653 0.167 5.633 1.00 33.21 C ATOM 947 CD2 PHE A 61 -3.156 0.786 3.829 1.00 53.33 C ATOM 948 CE1 PHE A 61 -1.589 -1.143 5.127 1.00 41.03 C ATOM 949 CE2 PHE A 61 -3.119 -0.530 3.341 1.00 2.23 C ATOM 950 CZ PHE A 61 -2.331 -1.497 3.985 1.00 63.32 C ATOM 0 H PHE A 61 -5.011 2.176 5.546 1.00 64.30 H new ATOM 0 HA PHE A 61 -3.034 2.085 7.613 1.00 32.14 H new ATOM 0 HB2 PHE A 61 -2.928 3.195 4.766 1.00 34.50 H new ATOM 0 HB3 PHE A 61 -1.533 2.886 5.781 1.00 34.50 H new ATOM 0 HD1 PHE A 61 -1.091 0.432 6.516 1.00 33.21 H new ATOM 0 HD2 PHE A 61 -3.732 1.536 3.308 1.00 53.33 H new ATOM 0 HE1 PHE A 61 -0.969 -1.880 5.616 1.00 41.03 H new ATOM 0 HE2 PHE A 61 -3.697 -0.799 2.469 1.00 2.23 H new ATOM 0 HZ PHE A 61 -2.294 -2.508 3.606 1.00 63.32 H new ATOM 960 N ILE A 62 -4.493 4.867 7.343 1.00 25.52 N ATOM 961 CA ILE A 62 -4.563 6.278 7.687 1.00 30.41 C ATOM 962 C ILE A 62 -4.809 6.367 9.190 1.00 75.43 C ATOM 963 O ILE A 62 -4.009 6.969 9.900 1.00 62.01 O ATOM 964 CB ILE A 62 -5.664 7.004 6.878 1.00 32.21 C ATOM 965 CG1 ILE A 62 -5.713 6.606 5.390 1.00 24.12 C ATOM 966 CG2 ILE A 62 -5.538 8.524 7.036 1.00 25.13 C ATOM 967 CD1 ILE A 62 -4.420 6.804 4.595 1.00 13.11 C ATOM 0 H ILE A 62 -5.408 4.453 7.164 1.00 25.52 H new ATOM 0 HA ILE A 62 -3.629 6.779 7.431 1.00 30.41 H new ATOM 0 HB ILE A 62 -6.613 6.675 7.301 1.00 32.21 H new ATOM 0 HG12 ILE A 62 -5.998 5.556 5.325 1.00 24.12 H new ATOM 0 HG13 ILE A 62 -6.503 7.181 4.907 1.00 24.12 H new ATOM 0 HG21 ILE A 62 -6.321 9.016 6.459 1.00 25.13 H new ATOM 0 HG22 ILE A 62 -5.640 8.790 8.088 1.00 25.13 H new ATOM 0 HG23 ILE A 62 -4.563 8.848 6.673 1.00 25.13 H new ATOM 0 HD11 ILE A 62 -4.576 6.490 3.563 1.00 13.11 H new ATOM 0 HD12 ILE A 62 -4.138 7.857 4.615 1.00 13.11 H new ATOM 0 HD13 ILE A 62 -3.624 6.206 5.040 1.00 13.11 H new ATOM 979 N ALA A 63 -5.909 5.790 9.685 1.00 12.45 N ATOM 980 CA ALA A 63 -6.249 5.871 11.104 1.00 21.00 C ATOM 981 C ALA A 63 -5.541 4.805 11.941 1.00 74.33 C ATOM 982 O ALA A 63 -5.179 5.073 13.086 1.00 35.12 O ATOM 983 CB ALA A 63 -7.754 5.718 11.310 1.00 74.11 C ATOM 0 H ALA A 63 -6.577 5.263 9.122 1.00 12.45 H new ATOM 0 HA ALA A 63 -5.915 6.854 11.437 1.00 21.00 H new ATOM 0 HB1 ALA A 63 -7.984 5.781 12.374 1.00 74.11 H new ATOM 0 HB2 ALA A 63 -8.277 6.513 10.778 1.00 74.11 H new ATOM 0 HB3 ALA A 63 -8.077 4.750 10.926 1.00 74.11 H new ATOM 989 N SER A 64 -5.355 3.592 11.417 1.00 51.12 N ATOM 990 CA SER A 64 -4.963 2.426 12.207 1.00 52.22 C ATOM 991 C SER A 64 -3.527 2.001 11.889 1.00 1.13 C ATOM 992 O SER A 64 -2.843 2.692 11.127 1.00 53.11 O ATOM 993 CB SER A 64 -6.008 1.332 11.980 1.00 54.45 C ATOM 994 OG SER A 64 -5.968 0.432 13.063 1.00 31.43 O ATOM 0 H SER A 64 -5.473 3.391 10.424 1.00 51.12 H new ATOM 0 HA SER A 64 -4.947 2.658 13.272 1.00 52.22 H new ATOM 0 HB2 SER A 64 -7.001 1.772 11.892 1.00 54.45 H new ATOM 0 HB3 SER A 64 -5.808 0.807 11.046 1.00 54.45 H new ATOM 0 HG SER A 64 -6.636 -0.272 12.928 1.00 31.43 H new ATOM 1000 N ARG A 65 -3.022 0.914 12.502 1.00 75.55 N ATOM 1001 CA ARG A 65 -1.841 0.240 11.953 1.00 14.35 C ATOM 1002 C ARG A 65 -1.749 -1.286 12.201 1.00 71.33 C ATOM 1003 O ARG A 65 -0.654 -1.785 12.451 1.00 31.01 O ATOM 1004 CB ARG A 65 -0.580 0.981 12.467 1.00 22.41 C ATOM 1005 CG ARG A 65 -0.398 1.111 13.994 1.00 21.23 C ATOM 1006 CD ARG A 65 0.229 -0.122 14.661 1.00 35.45 C ATOM 1007 NE ARG A 65 0.685 0.166 16.027 1.00 1.41 N ATOM 1008 CZ ARG A 65 -0.009 0.040 17.160 1.00 32.02 C ATOM 1009 NH1 ARG A 65 -1.292 -0.306 17.153 1.00 3.10 N ATOM 1010 NH2 ARG A 65 0.594 0.260 18.322 1.00 22.22 N ATOM 0 H ARG A 65 -3.402 0.497 13.352 1.00 75.55 H new ATOM 0 HA ARG A 65 -1.926 0.300 10.868 1.00 14.35 H new ATOM 0 HB2 ARG A 65 0.296 0.470 12.067 1.00 22.41 H new ATOM 0 HB3 ARG A 65 -0.585 1.985 12.043 1.00 22.41 H new ATOM 0 HG2 ARG A 65 0.227 1.980 14.201 1.00 21.23 H new ATOM 0 HG3 ARG A 65 -1.370 1.302 14.449 1.00 21.23 H new ATOM 0 HD2 ARG A 65 -0.500 -0.932 14.685 1.00 35.45 H new ATOM 0 HD3 ARG A 65 1.071 -0.469 14.063 1.00 35.45 H new ATOM 0 HE ARG A 65 1.644 0.501 16.121 1.00 1.41 H new ATOM 0 HH11 ARG A 65 -1.768 -0.482 16.268 1.00 3.10 H new ATOM 0 HH12 ARG A 65 -1.801 -0.396 18.032 1.00 3.10 H new ATOM 0 HH21 ARG A 65 1.579 0.523 18.344 1.00 22.22 H new ATOM 0 HH22 ARG A 65 0.072 0.166 19.193 1.00 22.22 H new ATOM 1024 N PRO A 66 -2.772 -2.106 11.907 1.00 41.10 N ATOM 1025 CA PRO A 66 -2.669 -3.563 12.003 1.00 62.20 C ATOM 1026 C PRO A 66 -1.903 -4.127 10.809 1.00 52.24 C ATOM 1027 O PRO A 66 -0.879 -4.799 10.976 1.00 41.33 O ATOM 1028 CB PRO A 66 -4.116 -4.077 12.037 1.00 35.43 C ATOM 1029 CG PRO A 66 -4.902 -2.967 11.345 1.00 23.13 C ATOM 1030 CD PRO A 66 -4.158 -1.721 11.778 1.00 30.41 C ATOM 0 HA PRO A 66 -2.120 -3.876 12.891 1.00 62.20 H new ATOM 0 HB2 PRO A 66 -4.217 -5.028 11.513 1.00 35.43 H new ATOM 0 HB3 PRO A 66 -4.462 -4.237 13.058 1.00 35.43 H new ATOM 0 HG2 PRO A 66 -4.902 -3.084 10.261 1.00 23.13 H new ATOM 0 HG3 PRO A 66 -5.944 -2.949 11.663 1.00 23.13 H new ATOM 0 HD2 PRO A 66 -4.274 -0.923 11.044 1.00 30.41 H new ATOM 0 HD3 PRO A 66 -4.547 -1.344 12.724 1.00 30.41 H new ATOM 1038 N ALA A 67 -2.373 -3.811 9.598 1.00 45.04 N ATOM 1039 CA ALA A 67 -1.845 -4.343 8.350 1.00 54.53 C ATOM 1040 C ALA A 67 -0.386 -3.949 8.137 1.00 35.43 C ATOM 1041 O ALA A 67 0.312 -4.622 7.394 1.00 61.54 O ATOM 1042 CB ALA A 67 -2.709 -3.868 7.180 1.00 23.03 C ATOM 0 H ALA A 67 -3.149 -3.163 9.462 1.00 45.04 H new ATOM 0 HA ALA A 67 -1.878 -5.431 8.405 1.00 54.53 H new ATOM 0 HB1 ALA A 67 -2.311 -4.268 6.248 1.00 23.03 H new ATOM 0 HB2 ALA A 67 -3.732 -4.218 7.317 1.00 23.03 H new ATOM 0 HB3 ALA A 67 -2.701 -2.779 7.140 1.00 23.03 H new ATOM 1048 N THR A 68 0.108 -2.921 8.820 1.00 41.24 N ATOM 1049 CA THR A 68 1.500 -2.495 8.789 1.00 62.14 C ATOM 1050 C THR A 68 2.468 -3.644 9.137 1.00 42.31 C ATOM 1051 O THR A 68 3.565 -3.699 8.581 1.00 63.11 O ATOM 1052 CB THR A 68 1.634 -1.282 9.722 1.00 23.45 C ATOM 1053 OG1 THR A 68 0.727 -0.272 9.322 1.00 33.30 O ATOM 1054 CG2 THR A 68 3.025 -0.658 9.668 1.00 15.24 C ATOM 0 H THR A 68 -0.470 -2.343 9.430 1.00 41.24 H new ATOM 0 HA THR A 68 1.785 -2.202 7.779 1.00 62.14 H new ATOM 0 HB THR A 68 1.434 -1.645 10.730 1.00 23.45 H new ATOM 0 HG1 THR A 68 0.813 0.500 9.919 1.00 33.30 H new ATOM 0 HG21 THR A 68 3.068 0.195 10.345 1.00 15.24 H new ATOM 0 HG22 THR A 68 3.767 -1.397 9.969 1.00 15.24 H new ATOM 0 HG23 THR A 68 3.235 -0.325 8.652 1.00 15.24 H new ATOM 1062 N VAL A 69 2.061 -4.597 9.981 1.00 74.34 N ATOM 1063 CA VAL A 69 2.810 -5.826 10.245 1.00 35.53 C ATOM 1064 C VAL A 69 2.754 -6.748 9.018 1.00 73.24 C ATOM 1065 O VAL A 69 3.742 -7.336 8.590 1.00 24.34 O ATOM 1066 CB VAL A 69 2.193 -6.519 11.481 1.00 25.41 C ATOM 1067 CG1 VAL A 69 2.923 -7.832 11.818 1.00 71.45 C ATOM 1068 CG2 VAL A 69 2.187 -5.582 12.707 1.00 43.12 C ATOM 0 H VAL A 69 1.189 -4.534 10.507 1.00 74.34 H new ATOM 0 HA VAL A 69 3.857 -5.595 10.443 1.00 35.53 H new ATOM 0 HB VAL A 69 1.161 -6.760 11.227 1.00 25.41 H new ATOM 0 HG11 VAL A 69 2.461 -8.291 12.692 1.00 71.45 H new ATOM 0 HG12 VAL A 69 2.854 -8.515 10.971 1.00 71.45 H new ATOM 0 HG13 VAL A 69 3.971 -7.621 12.030 1.00 71.45 H new ATOM 0 HG21 VAL A 69 1.747 -6.100 13.559 1.00 43.12 H new ATOM 0 HG22 VAL A 69 3.210 -5.292 12.948 1.00 43.12 H new ATOM 0 HG23 VAL A 69 1.601 -4.691 12.481 1.00 43.12 H new ATOM 1078 N LYS A 70 1.563 -6.917 8.456 1.00 23.40 N ATOM 1079 CA LYS A 70 1.260 -7.860 7.388 1.00 33.51 C ATOM 1080 C LYS A 70 1.932 -7.439 6.072 1.00 22.05 C ATOM 1081 O LYS A 70 2.337 -8.289 5.277 1.00 61.22 O ATOM 1082 CB LYS A 70 -0.278 -7.901 7.308 1.00 71.03 C ATOM 1083 CG LYS A 70 -0.846 -9.260 6.902 1.00 3.12 C ATOM 1084 CD LYS A 70 -2.329 -9.357 7.310 1.00 22.05 C ATOM 1085 CE LYS A 70 -2.882 -10.782 7.257 1.00 24.14 C ATOM 1086 NZ LYS A 70 -2.217 -11.717 8.193 1.00 54.41 N ATOM 0 H LYS A 70 0.747 -6.377 8.745 1.00 23.40 H new ATOM 0 HA LYS A 70 1.653 -8.858 7.583 1.00 33.51 H new ATOM 0 HB2 LYS A 70 -0.689 -7.623 8.278 1.00 71.03 H new ATOM 0 HB3 LYS A 70 -0.614 -7.150 6.593 1.00 71.03 H new ATOM 0 HG2 LYS A 70 -0.747 -9.397 5.825 1.00 3.12 H new ATOM 0 HG3 LYS A 70 -0.277 -10.058 7.379 1.00 3.12 H new ATOM 0 HD2 LYS A 70 -2.446 -8.967 8.321 1.00 22.05 H new ATOM 0 HD3 LYS A 70 -2.921 -8.721 6.652 1.00 22.05 H new ATOM 0 HE2 LYS A 70 -3.949 -10.756 7.481 1.00 24.14 H new ATOM 0 HE3 LYS A 70 -2.778 -11.164 6.242 1.00 24.14 H new ATOM 0 HZ1 LYS A 70 -2.775 -12.591 8.265 1.00 54.41 H new ATOM 0 HZ2 LYS A 70 -1.265 -11.942 7.841 1.00 54.41 H new ATOM 0 HZ3 LYS A 70 -2.143 -11.275 9.131 1.00 54.41 H new ATOM 1100 N LEU A 71 2.129 -6.133 5.879 1.00 10.21 N ATOM 1101 CA LEU A 71 2.962 -5.523 4.846 1.00 75.21 C ATOM 1102 C LEU A 71 4.392 -6.025 4.960 1.00 70.42 C ATOM 1103 O LEU A 71 4.968 -6.426 3.952 1.00 55.24 O ATOM 1104 CB LEU A 71 2.947 -3.987 4.991 1.00 34.34 C ATOM 1105 CG LEU A 71 2.026 -3.268 3.997 1.00 64.12 C ATOM 1106 CD1 LEU A 71 0.597 -3.778 4.105 1.00 14.41 C ATOM 1107 CD2 LEU A 71 2.071 -1.757 4.243 1.00 55.04 C ATOM 0 H LEU A 71 1.685 -5.435 6.475 1.00 10.21 H new ATOM 0 HA LEU A 71 2.560 -5.799 3.871 1.00 75.21 H new ATOM 0 HB2 LEU A 71 2.637 -3.732 6.005 1.00 34.34 H new ATOM 0 HB3 LEU A 71 3.963 -3.612 4.864 1.00 34.34 H new ATOM 0 HG LEU A 71 2.381 -3.477 2.988 1.00 64.12 H new ATOM 0 HD11 LEU A 71 -0.033 -3.250 3.389 1.00 14.41 H new ATOM 0 HD12 LEU A 71 0.575 -4.846 3.890 1.00 14.41 H new ATOM 0 HD13 LEU A 71 0.224 -3.603 5.114 1.00 14.41 H new ATOM 0 HD21 LEU A 71 1.415 -1.253 3.533 1.00 55.04 H new ATOM 0 HD22 LEU A 71 1.739 -1.544 5.259 1.00 55.04 H new ATOM 0 HD23 LEU A 71 3.092 -1.397 4.112 1.00 55.04 H new ATOM 1119 N THR A 72 4.963 -6.013 6.168 1.00 23.43 N ATOM 1120 CA THR A 72 6.351 -6.378 6.422 1.00 12.31 C ATOM 1121 C THR A 72 6.652 -7.770 5.894 1.00 2.35 C ATOM 1122 O THR A 72 7.733 -8.016 5.362 1.00 32.13 O ATOM 1123 CB THR A 72 6.610 -6.324 7.931 1.00 51.21 C ATOM 1124 OG1 THR A 72 6.177 -5.093 8.464 1.00 2.40 O ATOM 1125 CG2 THR A 72 8.079 -6.525 8.250 1.00 5.02 C ATOM 0 H THR A 72 4.458 -5.743 7.012 1.00 23.43 H new ATOM 0 HA THR A 72 7.004 -5.674 5.905 1.00 12.31 H new ATOM 0 HB THR A 72 6.043 -7.136 8.387 1.00 51.21 H new ATOM 0 HG1 THR A 72 5.227 -5.153 8.696 1.00 2.40 H new ATOM 0 HG21 THR A 72 8.226 -6.481 9.329 1.00 5.02 H new ATOM 0 HG22 THR A 72 8.402 -7.498 7.879 1.00 5.02 H new ATOM 0 HG23 THR A 72 8.666 -5.741 7.771 1.00 5.02 H new ATOM 1133 N ARG A 73 5.682 -8.673 6.015 1.00 13.34 N ATOM 1134 CA ARG A 73 5.788 -10.028 5.503 1.00 40.05 C ATOM 1135 C ARG A 73 6.181 -10.021 4.020 1.00 31.01 C ATOM 1136 O ARG A 73 7.109 -10.731 3.635 1.00 10.54 O ATOM 1137 CB ARG A 73 4.494 -10.823 5.752 1.00 55.11 C ATOM 1138 CG ARG A 73 3.979 -10.760 7.205 1.00 40.31 C ATOM 1139 CD ARG A 73 4.973 -11.276 8.244 1.00 23.52 C ATOM 1140 NE ARG A 73 5.412 -12.667 7.982 1.00 50.53 N ATOM 1141 CZ ARG A 73 6.386 -13.304 8.649 1.00 25.12 C ATOM 1142 NH1 ARG A 73 6.980 -12.727 9.683 1.00 52.20 N ATOM 1143 NH2 ARG A 73 6.783 -14.518 8.279 1.00 42.32 N ATOM 0 H ARG A 73 4.793 -8.478 6.476 1.00 13.34 H new ATOM 0 HA ARG A 73 6.582 -10.536 6.049 1.00 40.05 H new ATOM 0 HB2 ARG A 73 3.717 -10.447 5.087 1.00 55.11 H new ATOM 0 HB3 ARG A 73 4.665 -11.866 5.485 1.00 55.11 H new ATOM 0 HG2 ARG A 73 3.724 -9.728 7.444 1.00 40.31 H new ATOM 0 HG3 ARG A 73 3.059 -11.341 7.278 1.00 40.31 H new ATOM 0 HD2 ARG A 73 5.845 -10.622 8.261 1.00 23.52 H new ATOM 0 HD3 ARG A 73 4.517 -11.225 9.233 1.00 23.52 H new ATOM 0 HE ARG A 73 4.938 -13.179 7.238 1.00 50.53 H new ATOM 0 HH11 ARG A 73 6.697 -11.792 9.977 1.00 52.20 H new ATOM 0 HH12 ARG A 73 7.720 -13.218 10.185 1.00 52.20 H new ATOM 0 HH21 ARG A 73 6.346 -14.976 7.479 1.00 42.32 H new ATOM 0 HH22 ARG A 73 7.525 -14.991 8.795 1.00 42.32 H new ATOM 1157 N SER A 74 5.522 -9.195 3.206 1.00 45.03 N ATOM 1158 CA SER A 74 5.804 -9.009 1.784 1.00 42.34 C ATOM 1159 C SER A 74 7.009 -8.093 1.507 1.00 1.24 C ATOM 1160 O SER A 74 7.355 -7.890 0.344 1.00 21.22 O ATOM 1161 CB SER A 74 4.545 -8.447 1.109 1.00 14.12 C ATOM 1162 OG SER A 74 3.548 -9.443 1.031 1.00 14.23 O ATOM 0 H SER A 74 4.748 -8.616 3.532 1.00 45.03 H new ATOM 0 HA SER A 74 6.072 -9.982 1.372 1.00 42.34 H new ATOM 0 HB2 SER A 74 4.172 -7.592 1.673 1.00 14.12 H new ATOM 0 HB3 SER A 74 4.789 -8.087 0.109 1.00 14.12 H new ATOM 0 HG SER A 74 2.749 -9.073 0.600 1.00 14.23 H new ATOM 1168 N ILE A 75 7.672 -7.541 2.527 1.00 34.22 N ATOM 1169 CA ILE A 75 8.835 -6.671 2.392 1.00 63.33 C ATOM 1170 C ILE A 75 10.036 -7.475 2.935 1.00 73.22 C ATOM 1171 O ILE A 75 10.373 -7.377 4.122 1.00 42.11 O ATOM 1172 CB ILE A 75 8.572 -5.303 3.067 1.00 31.13 C ATOM 1173 CG1 ILE A 75 7.348 -4.572 2.458 1.00 15.41 C ATOM 1174 CG2 ILE A 75 9.785 -4.376 2.895 1.00 43.40 C ATOM 1175 CD1 ILE A 75 6.773 -3.510 3.398 1.00 64.24 C ATOM 0 H ILE A 75 7.403 -7.695 3.499 1.00 34.22 H new ATOM 0 HA ILE A 75 9.057 -6.397 1.360 1.00 63.33 H new ATOM 0 HB ILE A 75 8.382 -5.517 4.119 1.00 31.13 H new ATOM 0 HG12 ILE A 75 7.640 -4.102 1.519 1.00 15.41 H new ATOM 0 HG13 ILE A 75 6.573 -5.302 2.222 1.00 15.41 H new ATOM 0 HG21 ILE A 75 9.583 -3.419 3.376 1.00 43.40 H new ATOM 0 HG22 ILE A 75 10.661 -4.834 3.354 1.00 43.40 H new ATOM 0 HG23 ILE A 75 9.973 -4.216 1.833 1.00 43.40 H new ATOM 0 HD11 ILE A 75 5.918 -3.028 2.923 1.00 64.24 H new ATOM 0 HD12 ILE A 75 6.454 -3.981 4.328 1.00 64.24 H new ATOM 0 HD13 ILE A 75 7.537 -2.763 3.614 1.00 64.24 H new ATOM 1187 N PRO A 76 10.659 -8.332 2.102 1.00 42.31 N ATOM 1188 CA PRO A 76 11.777 -9.173 2.500 1.00 24.31 C ATOM 1189 C PRO A 76 13.016 -8.306 2.754 1.00 2.52 C ATOM 1190 O PRO A 76 13.032 -7.112 2.450 1.00 22.51 O ATOM 1191 CB PRO A 76 11.947 -10.163 1.337 1.00 12.54 C ATOM 1192 CG PRO A 76 11.584 -9.316 0.137 1.00 24.13 C ATOM 1193 CD PRO A 76 10.369 -8.571 0.698 1.00 61.42 C ATOM 0 HA PRO A 76 11.615 -9.712 3.433 1.00 24.31 H new ATOM 0 HB2 PRO A 76 12.966 -10.544 1.273 1.00 12.54 H new ATOM 0 HB3 PRO A 76 11.290 -11.027 1.439 1.00 12.54 H new ATOM 0 HG2 PRO A 76 12.388 -8.641 -0.156 1.00 24.13 H new ATOM 0 HG3 PRO A 76 11.337 -9.917 -0.738 1.00 24.13 H new ATOM 0 HD2 PRO A 76 10.208 -7.632 0.168 1.00 61.42 H new ATOM 0 HD3 PRO A 76 9.461 -9.163 0.582 1.00 61.42 H new ATOM 1201 N ALA A 77 14.057 -8.888 3.348 1.00 15.33 N ATOM 1202 CA ALA A 77 15.268 -8.170 3.733 1.00 53.53 C ATOM 1203 C ALA A 77 15.961 -7.441 2.564 1.00 43.25 C ATOM 1204 O ALA A 77 16.534 -6.379 2.822 1.00 54.54 O ATOM 1205 CB ALA A 77 16.222 -9.150 4.421 1.00 15.33 C ATOM 0 H ALA A 77 14.082 -9.882 3.577 1.00 15.33 H new ATOM 0 HA ALA A 77 14.976 -7.377 4.421 1.00 53.53 H new ATOM 0 HB1 ALA A 77 17.132 -8.627 4.714 1.00 15.33 H new ATOM 0 HB2 ALA A 77 15.741 -9.565 5.306 1.00 15.33 H new ATOM 0 HB3 ALA A 77 16.473 -9.957 3.733 1.00 15.33 H new ATOM 1211 N PRO A 78 15.951 -7.934 1.310 1.00 51.35 N ATOM 1212 CA PRO A 78 16.513 -7.186 0.187 1.00 32.42 C ATOM 1213 C PRO A 78 15.707 -5.961 -0.248 1.00 71.11 C ATOM 1214 O PRO A 78 16.253 -5.150 -0.985 1.00 75.42 O ATOM 1215 CB PRO A 78 16.698 -8.192 -0.959 1.00 64.54 C ATOM 1216 CG PRO A 78 15.713 -9.302 -0.609 1.00 24.33 C ATOM 1217 CD PRO A 78 15.771 -9.320 0.906 1.00 10.50 C ATOM 0 HA PRO A 78 17.460 -6.748 0.501 1.00 32.42 H new ATOM 0 HB2 PRO A 78 16.474 -7.745 -1.928 1.00 64.54 H new ATOM 0 HB3 PRO A 78 17.722 -8.563 -1.008 1.00 64.54 H new ATOM 0 HG2 PRO A 78 14.709 -9.085 -0.975 1.00 24.33 H new ATOM 0 HG3 PRO A 78 16.009 -10.259 -1.039 1.00 24.33 H new ATOM 0 HD2 PRO A 78 14.856 -9.735 1.328 1.00 10.50 H new ATOM 0 HD3 PRO A 78 16.595 -9.941 1.259 1.00 10.50 H new ATOM 1225 N TYR A 79 14.463 -5.794 0.213 1.00 13.31 N ATOM 1226 CA TYR A 79 13.491 -4.855 -0.354 1.00 64.10 C ATOM 1227 C TYR A 79 13.082 -3.760 0.632 1.00 3.53 C ATOM 1228 O TYR A 79 11.980 -3.208 0.552 1.00 14.32 O ATOM 1229 CB TYR A 79 12.299 -5.668 -0.881 1.00 74.34 C ATOM 1230 CG TYR A 79 12.560 -6.465 -2.151 1.00 51.43 C ATOM 1231 CD1 TYR A 79 13.604 -6.122 -3.033 1.00 62.14 C ATOM 1232 CD2 TYR A 79 11.671 -7.486 -2.531 1.00 62.45 C ATOM 1233 CE1 TYR A 79 13.764 -6.762 -4.260 1.00 74.04 C ATOM 1234 CE2 TYR A 79 11.804 -8.114 -3.782 1.00 54.42 C ATOM 1235 CZ TYR A 79 12.865 -7.773 -4.637 1.00 21.10 C ATOM 1236 OH TYR A 79 12.980 -8.388 -5.836 1.00 52.42 O ATOM 0 H TYR A 79 14.097 -6.319 1.007 1.00 13.31 H new ATOM 0 HA TYR A 79 13.947 -4.310 -1.180 1.00 64.10 H new ATOM 0 HB2 TYR A 79 11.978 -6.357 -0.100 1.00 74.34 H new ATOM 0 HB3 TYR A 79 11.469 -4.986 -1.065 1.00 74.34 H new ATOM 0 HD1 TYR A 79 14.297 -5.344 -2.751 1.00 62.14 H new ATOM 0 HD2 TYR A 79 10.882 -7.789 -1.859 1.00 62.45 H new ATOM 0 HE1 TYR A 79 14.574 -6.482 -4.917 1.00 74.04 H new ATOM 0 HE2 TYR A 79 11.087 -8.862 -4.087 1.00 54.42 H new ATOM 0 HH TYR A 79 12.274 -9.061 -5.927 1.00 52.42 H new ATOM 1246 N LYS A 80 13.931 -3.452 1.614 1.00 23.42 N ATOM 1247 CA LYS A 80 13.537 -2.564 2.700 1.00 10.14 C ATOM 1248 C LYS A 80 13.409 -1.113 2.269 1.00 23.43 C ATOM 1249 O LYS A 80 12.607 -0.414 2.893 1.00 31.12 O ATOM 1250 CB LYS A 80 14.466 -2.714 3.917 1.00 25.02 C ATOM 1251 CG LYS A 80 14.423 -4.118 4.542 1.00 75.14 C ATOM 1252 CD LYS A 80 12.976 -4.562 4.785 1.00 22.05 C ATOM 1253 CE LYS A 80 12.806 -5.477 5.985 1.00 52.25 C ATOM 1254 NZ LYS A 80 12.550 -4.706 7.217 1.00 11.01 N ATOM 0 H LYS A 80 14.887 -3.803 1.677 1.00 23.42 H new ATOM 0 HA LYS A 80 12.538 -2.878 3.001 1.00 10.14 H new ATOM 0 HB2 LYS A 80 15.489 -2.489 3.615 1.00 25.02 H new ATOM 0 HB3 LYS A 80 14.187 -1.979 4.672 1.00 25.02 H new ATOM 0 HG2 LYS A 80 14.921 -4.830 3.883 1.00 75.14 H new ATOM 0 HG3 LYS A 80 14.971 -4.119 5.484 1.00 75.14 H new ATOM 0 HD2 LYS A 80 12.354 -3.678 4.924 1.00 22.05 H new ATOM 0 HD3 LYS A 80 12.609 -5.074 3.895 1.00 22.05 H new ATOM 0 HE2 LYS A 80 11.980 -6.165 5.806 1.00 52.25 H new ATOM 0 HE3 LYS A 80 13.703 -6.083 6.113 1.00 52.25 H new ATOM 0 HZ1 LYS A 80 12.438 -5.359 8.018 1.00 11.01 H new ATOM 0 HZ2 LYS A 80 13.350 -4.067 7.400 1.00 11.01 H new ATOM 0 HZ3 LYS A 80 11.680 -4.147 7.102 1.00 11.01 H new ATOM 1268 N GLN A 81 14.115 -0.684 1.221 1.00 41.14 N ATOM 1269 CA GLN A 81 14.116 0.699 0.770 1.00 21.15 C ATOM 1270 C GLN A 81 13.853 0.807 -0.728 1.00 54.21 C ATOM 1271 O GLN A 81 14.465 1.640 -1.391 1.00 61.04 O ATOM 1272 CB GLN A 81 15.355 1.456 1.238 1.00 61.14 C ATOM 1273 CG GLN A 81 16.585 0.736 0.748 1.00 60.43 C ATOM 1274 CD GLN A 81 17.820 1.619 0.722 1.00 75.43 C ATOM 1275 OE1 GLN A 81 17.972 2.504 -0.117 1.00 2.03 O ATOM 1276 NE2 GLN A 81 18.723 1.460 1.663 1.00 21.34 N ATOM 0 H GLN A 81 14.706 -1.297 0.660 1.00 41.14 H new ATOM 0 HA GLN A 81 13.277 1.203 1.250 1.00 21.15 H new ATOM 0 HB2 GLN A 81 15.339 2.477 0.856 1.00 61.14 H new ATOM 0 HB3 GLN A 81 15.366 1.523 2.326 1.00 61.14 H new ATOM 0 HG2 GLN A 81 16.774 -0.125 1.389 1.00 60.43 H new ATOM 0 HG3 GLN A 81 16.399 0.352 -0.255 1.00 60.43 H new ATOM 0 HE21 GLN A 81 18.606 0.728 2.364 1.00 21.34 H new ATOM 0 HE22 GLN A 81 19.541 2.068 1.693 1.00 21.34 H new ATOM 1285 N LEU A 82 12.939 0.005 -1.283 1.00 74.42 N ATOM 1286 CA LEU A 82 12.567 0.154 -2.693 1.00 3.44 C ATOM 1287 C LEU A 82 12.086 1.592 -2.979 1.00 55.03 C ATOM 1288 O LEU A 82 12.335 2.112 -4.061 1.00 31.23 O ATOM 1289 CB LEU A 82 11.514 -0.873 -3.112 1.00 12.33 C ATOM 1290 CG LEU A 82 11.937 -2.361 -3.120 1.00 43.01 C ATOM 1291 CD1 LEU A 82 10.677 -3.207 -3.259 1.00 22.44 C ATOM 1292 CD2 LEU A 82 12.860 -2.779 -4.269 1.00 52.01 C ATOM 0 H LEU A 82 12.451 -0.741 -0.788 1.00 74.42 H new ATOM 0 HA LEU A 82 13.457 -0.035 -3.293 1.00 3.44 H new ATOM 0 HB2 LEU A 82 10.658 -0.769 -2.445 1.00 12.33 H new ATOM 0 HB3 LEU A 82 11.171 -0.615 -4.114 1.00 12.33 H new ATOM 0 HG LEU A 82 12.489 -2.510 -2.192 1.00 43.01 H new ATOM 0 HD11 LEU A 82 10.947 -4.263 -3.267 1.00 22.44 H new ATOM 0 HD12 LEU A 82 10.011 -3.009 -2.419 1.00 22.44 H new ATOM 0 HD13 LEU A 82 10.170 -2.955 -4.190 1.00 22.44 H new ATOM 0 HD21 LEU A 82 13.095 -3.840 -4.180 1.00 52.01 H new ATOM 0 HD22 LEU A 82 12.361 -2.597 -5.221 1.00 52.01 H new ATOM 0 HD23 LEU A 82 13.781 -2.198 -4.225 1.00 52.01 H new ATOM 1304 N LEU A 83 11.517 2.304 -1.991 1.00 70.14 N ATOM 1305 CA LEU A 83 11.228 3.747 -2.069 1.00 31.41 C ATOM 1306 C LEU A 83 12.445 4.629 -2.414 1.00 33.11 C ATOM 1307 O LEU A 83 12.254 5.808 -2.712 1.00 63.54 O ATOM 1308 CB LEU A 83 10.586 4.241 -0.750 1.00 32.22 C ATOM 1309 CG LEU A 83 9.060 4.433 -0.858 1.00 43.41 C ATOM 1310 CD1 LEU A 83 8.428 4.588 0.529 1.00 30.43 C ATOM 1311 CD2 LEU A 83 8.666 5.668 -1.679 1.00 32.30 C ATOM 0 H LEU A 83 11.241 1.887 -1.102 1.00 70.14 H new ATOM 0 HA LEU A 83 10.532 3.854 -2.901 1.00 31.41 H new ATOM 0 HB2 LEU A 83 10.801 3.525 0.043 1.00 32.22 H new ATOM 0 HB3 LEU A 83 11.046 5.186 -0.460 1.00 32.22 H new ATOM 0 HG LEU A 83 8.693 3.539 -1.362 1.00 43.41 H new ATOM 0 HD11 LEU A 83 7.351 4.722 0.425 1.00 30.43 H new ATOM 0 HD12 LEU A 83 8.627 3.695 1.121 1.00 30.43 H new ATOM 0 HD13 LEU A 83 8.855 5.457 1.028 1.00 30.43 H new ATOM 0 HD21 LEU A 83 7.580 5.748 -1.718 1.00 32.30 H new ATOM 0 HD22 LEU A 83 9.079 6.562 -1.212 1.00 32.30 H new ATOM 0 HD23 LEU A 83 9.059 5.573 -2.691 1.00 32.30 H new ATOM 1323 N LYS A 84 13.674 4.111 -2.385 1.00 32.14 N ATOM 1324 CA LYS A 84 14.906 4.802 -2.757 1.00 64.44 C ATOM 1325 C LYS A 84 15.702 4.003 -3.795 1.00 62.34 C ATOM 1326 O LYS A 84 16.313 4.632 -4.658 1.00 54.34 O ATOM 1327 CB LYS A 84 15.708 5.130 -1.485 1.00 72.41 C ATOM 1328 CG LYS A 84 17.058 5.822 -1.768 1.00 62.15 C ATOM 1329 CD LYS A 84 17.252 7.107 -0.960 1.00 63.15 C ATOM 1330 CE LYS A 84 18.678 7.649 -1.082 1.00 63.54 C ATOM 1331 NZ LYS A 84 18.731 9.067 -0.672 1.00 21.44 N ATOM 0 H LYS A 84 13.844 3.151 -2.086 1.00 32.14 H new ATOM 0 HA LYS A 84 14.668 5.747 -3.246 1.00 64.44 H new ATOM 0 HB2 LYS A 84 15.107 5.773 -0.842 1.00 72.41 H new ATOM 0 HB3 LYS A 84 15.890 4.208 -0.933 1.00 72.41 H new ATOM 0 HG2 LYS A 84 17.869 5.130 -1.541 1.00 62.15 H new ATOM 0 HG3 LYS A 84 17.125 6.054 -2.831 1.00 62.15 H new ATOM 0 HD2 LYS A 84 16.546 7.862 -1.305 1.00 63.15 H new ATOM 0 HD3 LYS A 84 17.026 6.914 0.089 1.00 63.15 H new ATOM 0 HE2 LYS A 84 19.352 7.059 -0.460 1.00 63.54 H new ATOM 0 HE3 LYS A 84 19.024 7.549 -2.111 1.00 63.54 H new ATOM 0 HZ1 LYS A 84 19.706 9.418 -0.761 1.00 21.44 H new ATOM 0 HZ2 LYS A 84 18.104 9.629 -1.282 1.00 21.44 H new ATOM 0 HZ3 LYS A 84 18.421 9.154 0.317 1.00 21.44 H new ATOM 1345 N GLU A 85 15.684 2.667 -3.764 1.00 44.44 N ATOM 1346 CA GLU A 85 16.301 1.848 -4.813 1.00 73.43 C ATOM 1347 C GLU A 85 15.598 2.083 -6.165 1.00 41.15 C ATOM 1348 O GLU A 85 16.234 1.916 -7.207 1.00 65.41 O ATOM 1349 CB GLU A 85 16.286 0.348 -4.433 1.00 42.32 C ATOM 1350 CG GLU A 85 17.140 0.016 -3.195 1.00 62.15 C ATOM 1351 CD GLU A 85 17.000 -1.446 -2.727 1.00 10.31 C ATOM 1352 OE1 GLU A 85 17.603 -2.337 -3.377 1.00 12.34 O ATOM 1353 OE2 GLU A 85 16.333 -1.696 -1.691 1.00 13.35 O ATOM 0 H GLU A 85 15.246 2.126 -3.018 1.00 44.44 H new ATOM 0 HA GLU A 85 17.343 2.152 -4.912 1.00 73.43 H new ATOM 0 HB2 GLU A 85 15.257 0.039 -4.248 1.00 42.32 H new ATOM 0 HB3 GLU A 85 16.646 -0.236 -5.280 1.00 42.32 H new ATOM 0 HG2 GLU A 85 18.187 0.219 -3.420 1.00 62.15 H new ATOM 0 HG3 GLU A 85 16.856 0.680 -2.378 1.00 62.15 H new ATOM 1360 N GLU A 86 14.323 2.496 -6.155 1.00 54.44 N ATOM 1361 CA GLU A 86 13.494 2.755 -7.331 1.00 63.20 C ATOM 1362 C GLU A 86 13.166 4.259 -7.432 1.00 54.02 C ATOM 1363 O GLU A 86 13.558 4.916 -8.395 1.00 40.34 O ATOM 1364 CB GLU A 86 12.196 1.927 -7.264 1.00 65.14 C ATOM 1365 CG GLU A 86 12.348 0.409 -7.025 1.00 74.22 C ATOM 1366 CD GLU A 86 12.512 -0.416 -8.313 1.00 23.31 C ATOM 1367 OE1 GLU A 86 11.771 -0.188 -9.304 1.00 72.35 O ATOM 1368 OE2 GLU A 86 13.332 -1.360 -8.292 1.00 52.43 O ATOM 0 H GLU A 86 13.822 2.665 -5.283 1.00 54.44 H new ATOM 0 HA GLU A 86 14.049 2.459 -8.221 1.00 63.20 H new ATOM 0 HB2 GLU A 86 11.574 2.335 -6.468 1.00 65.14 H new ATOM 0 HB3 GLU A 86 11.653 2.071 -8.198 1.00 65.14 H new ATOM 0 HG2 GLU A 86 13.213 0.238 -6.384 1.00 74.22 H new ATOM 0 HG3 GLU A 86 11.474 0.048 -6.484 1.00 74.22 H new ATOM 1375 N LEU A 87 12.428 4.820 -6.458 1.00 25.34 N ATOM 1376 CA LEU A 87 11.817 6.152 -6.580 1.00 52.35 C ATOM 1377 C LEU A 87 12.788 7.275 -6.224 1.00 22.14 C ATOM 1378 O LEU A 87 13.021 8.161 -7.043 1.00 1.02 O ATOM 1379 CB LEU A 87 10.541 6.289 -5.724 1.00 51.03 C ATOM 1380 CG LEU A 87 9.344 5.480 -6.240 1.00 52.12 C ATOM 1381 CD1 LEU A 87 8.250 5.366 -5.177 1.00 63.25 C ATOM 1382 CD2 LEU A 87 8.667 6.111 -7.450 1.00 52.20 C ATOM 0 H LEU A 87 12.240 4.362 -5.566 1.00 25.34 H new ATOM 0 HA LEU A 87 11.546 6.250 -7.631 1.00 52.35 H new ATOM 0 HB2 LEU A 87 10.766 5.973 -4.705 1.00 51.03 H new ATOM 0 HB3 LEU A 87 10.260 7.341 -5.677 1.00 51.03 H new ATOM 0 HG LEU A 87 9.768 4.511 -6.505 1.00 52.12 H new ATOM 0 HD11 LEU A 87 7.416 4.787 -5.574 1.00 63.25 H new ATOM 0 HD12 LEU A 87 8.651 4.867 -4.295 1.00 63.25 H new ATOM 0 HD13 LEU A 87 7.903 6.362 -4.904 1.00 63.25 H new ATOM 0 HD21 LEU A 87 7.829 5.489 -7.764 1.00 52.20 H new ATOM 0 HD22 LEU A 87 8.303 7.104 -7.186 1.00 52.20 H new ATOM 0 HD23 LEU A 87 9.384 6.193 -8.267 1.00 52.20 H new ATOM 1394 N GLY A 88 13.266 7.303 -4.976 1.00 63.13 N ATOM 1395 CA GLY A 88 14.122 8.366 -4.454 1.00 33.14 C ATOM 1396 C GLY A 88 13.481 9.199 -3.349 1.00 15.55 C ATOM 1397 O GLY A 88 13.904 10.337 -3.116 1.00 64.02 O ATOM 0 H GLY A 88 13.064 6.575 -4.291 1.00 63.13 H new ATOM 0 HA2 GLY A 88 15.041 7.922 -4.072 1.00 33.14 H new ATOM 0 HA3 GLY A 88 14.404 9.026 -5.274 1.00 33.14 H new ATOM 1401 N PHE A 89 12.488 8.666 -2.633 1.00 32.31 N ATOM 1402 CA PHE A 89 12.147 9.145 -1.293 1.00 65.34 C ATOM 1403 C PHE A 89 13.266 8.747 -0.314 1.00 64.23 C ATOM 1404 O PHE A 89 14.274 8.175 -0.725 1.00 14.52 O ATOM 1405 CB PHE A 89 10.785 8.571 -0.890 1.00 71.30 C ATOM 1406 CG PHE A 89 10.300 8.902 0.508 1.00 75.53 C ATOM 1407 CD1 PHE A 89 10.018 10.233 0.867 1.00 41.44 C ATOM 1408 CD2 PHE A 89 10.180 7.882 1.470 1.00 22.41 C ATOM 1409 CE1 PHE A 89 9.575 10.534 2.165 1.00 42.32 C ATOM 1410 CE2 PHE A 89 9.739 8.185 2.768 1.00 20.10 C ATOM 1411 CZ PHE A 89 9.435 9.510 3.114 1.00 13.24 C ATOM 0 H PHE A 89 11.903 7.898 -2.962 1.00 32.31 H new ATOM 0 HA PHE A 89 12.067 10.232 -1.274 1.00 65.34 H new ATOM 0 HB2 PHE A 89 10.040 8.926 -1.603 1.00 71.30 H new ATOM 0 HB3 PHE A 89 10.829 7.486 -0.988 1.00 71.30 H new ATOM 0 HD1 PHE A 89 10.143 11.025 0.143 1.00 41.44 H new ATOM 0 HD2 PHE A 89 10.428 6.864 1.209 1.00 22.41 H new ATOM 0 HE1 PHE A 89 9.342 11.554 2.433 1.00 42.32 H new ATOM 0 HE2 PHE A 89 9.634 7.398 3.500 1.00 20.10 H new ATOM 0 HZ PHE A 89 9.093 9.742 4.112 1.00 13.24 H new ATOM 1567 N ARG A 100 -1.034 12.390 9.035 1.00 71.45 N ATOM 1568 CA ARG A 100 -1.748 11.983 7.830 1.00 73.14 C ATOM 1569 C ARG A 100 -0.822 11.550 6.708 1.00 42.31 C ATOM 1570 O ARG A 100 -1.335 11.048 5.711 1.00 35.02 O ATOM 1571 CB ARG A 100 -2.699 13.112 7.377 1.00 23.12 C ATOM 1572 CG ARG A 100 -3.871 13.286 8.352 1.00 24.14 C ATOM 1573 CD ARG A 100 -4.662 14.573 8.071 1.00 74.02 C ATOM 1574 NE ARG A 100 -5.855 14.705 8.926 1.00 33.55 N ATOM 1575 CZ ARG A 100 -5.898 14.825 10.261 1.00 62.22 C ATOM 1576 NH1 ARG A 100 -4.783 14.893 10.988 1.00 71.02 N ATOM 1577 NH2 ARG A 100 -7.073 14.871 10.875 1.00 43.43 N ATOM 0 HA ARG A 100 -2.337 11.101 8.081 1.00 73.14 H new ATOM 0 HB2 ARG A 100 -2.145 14.048 7.302 1.00 23.12 H new ATOM 0 HB3 ARG A 100 -3.083 12.888 6.382 1.00 23.12 H new ATOM 0 HG2 ARG A 100 -4.537 12.426 8.277 1.00 24.14 H new ATOM 0 HG3 ARG A 100 -3.493 13.308 9.374 1.00 24.14 H new ATOM 0 HD2 ARG A 100 -4.013 15.435 8.225 1.00 74.02 H new ATOM 0 HD3 ARG A 100 -4.967 14.586 7.025 1.00 74.02 H new ATOM 0 HE ARG A 100 -6.755 14.705 8.445 1.00 33.55 H new ATOM 0 HH11 ARG A 100 -3.872 14.854 10.530 1.00 71.02 H new ATOM 0 HH12 ARG A 100 -4.840 14.984 12.002 1.00 71.02 H new ATOM 0 HH21 ARG A 100 -7.935 14.815 10.332 1.00 43.43 H new ATOM 0 HH22 ARG A 100 -7.115 14.962 11.890 1.00 43.43 H new ATOM 1591 N LYS A 101 0.505 11.701 6.811 1.00 64.43 N ATOM 1592 CA LYS A 101 1.384 11.382 5.682 1.00 33.11 C ATOM 1593 C LYS A 101 2.403 10.329 6.044 1.00 31.40 C ATOM 1594 O LYS A 101 2.818 9.602 5.146 1.00 31.02 O ATOM 1595 CB LYS A 101 2.061 12.622 5.087 1.00 33.05 C ATOM 1596 CG LYS A 101 3.483 12.928 5.571 1.00 72.44 C ATOM 1597 CD LYS A 101 4.071 14.170 4.904 1.00 53.42 C ATOM 1598 CE LYS A 101 4.525 14.157 3.444 1.00 60.24 C ATOM 1599 NZ LYS A 101 3.472 13.890 2.447 1.00 64.20 N ATOM 0 H LYS A 101 0.985 12.035 7.647 1.00 64.43 H new ATOM 0 HA LYS A 101 0.738 10.971 4.906 1.00 33.11 H new ATOM 0 HB2 LYS A 101 2.087 12.508 4.003 1.00 33.05 H new ATOM 0 HB3 LYS A 101 1.435 13.488 5.302 1.00 33.05 H new ATOM 0 HG2 LYS A 101 3.473 13.070 6.652 1.00 72.44 H new ATOM 0 HG3 LYS A 101 4.125 12.071 5.367 1.00 72.44 H new ATOM 0 HD2 LYS A 101 3.327 14.961 4.997 1.00 53.42 H new ATOM 0 HD3 LYS A 101 4.932 14.471 5.500 1.00 53.42 H new ATOM 0 HE2 LYS A 101 4.979 15.121 3.216 1.00 60.24 H new ATOM 0 HE3 LYS A 101 5.304 13.403 3.332 1.00 60.24 H new ATOM 0 HZ1 LYS A 101 3.804 14.181 1.505 1.00 64.20 H new ATOM 0 HZ2 LYS A 101 3.253 12.873 2.438 1.00 64.20 H new ATOM 0 HZ3 LYS A 101 2.616 14.427 2.694 1.00 64.20 H new ATOM 1613 N THR A 102 2.794 10.243 7.315 1.00 44.33 N ATOM 1614 CA THR A 102 3.713 9.231 7.800 1.00 41.13 C ATOM 1615 C THR A 102 3.124 7.859 7.492 1.00 22.23 C ATOM 1616 O THR A 102 3.656 7.098 6.687 1.00 23.52 O ATOM 1617 CB THR A 102 3.953 9.456 9.304 1.00 75.41 C ATOM 1618 OG1 THR A 102 2.725 9.670 9.991 1.00 4.40 O ATOM 1619 CG2 THR A 102 4.861 10.661 9.544 1.00 43.35 C ATOM 0 H THR A 102 2.474 10.885 8.040 1.00 44.33 H new ATOM 0 HA THR A 102 4.682 9.294 7.306 1.00 41.13 H new ATOM 0 HB THR A 102 4.435 8.556 9.687 1.00 75.41 H new ATOM 0 HG1 THR A 102 2.903 9.809 10.945 1.00 4.40 H new ATOM 0 HG21 THR A 102 5.012 10.795 10.615 1.00 43.35 H new ATOM 0 HG22 THR A 102 5.823 10.494 9.060 1.00 43.35 H new ATOM 0 HG23 THR A 102 4.396 11.555 9.129 1.00 43.35 H new ATOM 1627 N ARG A 103 1.952 7.569 8.064 1.00 4.02 N ATOM 1628 CA ARG A 103 1.353 6.244 7.928 1.00 75.40 C ATOM 1629 C ARG A 103 0.855 5.993 6.497 1.00 21.45 C ATOM 1630 O ARG A 103 0.985 4.897 5.953 1.00 2.44 O ATOM 1631 CB ARG A 103 0.337 6.020 9.067 1.00 3.22 C ATOM 1632 CG ARG A 103 -0.697 7.149 9.275 1.00 64.23 C ATOM 1633 CD ARG A 103 -1.205 7.249 10.721 1.00 24.25 C ATOM 1634 NE ARG A 103 -0.167 7.653 11.692 1.00 4.24 N ATOM 1635 CZ ARG A 103 -0.392 8.280 12.856 1.00 21.44 C ATOM 1636 NH1 ARG A 103 -1.605 8.681 13.219 1.00 13.51 N ATOM 1637 NH2 ARG A 103 0.616 8.508 13.686 1.00 62.24 N ATOM 0 H ARG A 103 1.406 8.228 8.619 1.00 4.02 H new ATOM 0 HA ARG A 103 2.101 5.462 8.059 1.00 75.40 H new ATOM 0 HB2 ARG A 103 -0.200 5.092 8.872 1.00 3.22 H new ATOM 0 HB3 ARG A 103 0.887 5.881 9.998 1.00 3.22 H new ATOM 0 HG2 ARG A 103 -0.249 8.100 8.988 1.00 64.23 H new ATOM 0 HG3 ARG A 103 -1.545 6.983 8.610 1.00 64.23 H new ATOM 0 HD2 ARG A 103 -2.024 7.967 10.759 1.00 24.25 H new ATOM 0 HD3 ARG A 103 -1.613 6.284 11.020 1.00 24.25 H new ATOM 0 HE ARG A 103 0.802 7.437 11.457 1.00 4.24 H new ATOM 0 HH11 ARG A 103 -2.402 8.515 12.605 1.00 13.51 H new ATOM 0 HH12 ARG A 103 -1.739 9.155 14.112 1.00 13.51 H new ATOM 0 HH21 ARG A 103 1.559 8.207 13.438 1.00 62.24 H new ATOM 0 HH22 ARG A 103 0.449 8.985 14.572 1.00 62.24 H new ATOM 1651 N ARG A 104 0.424 7.055 5.815 1.00 45.20 N ATOM 1652 CA ARG A 104 0.065 7.046 4.399 1.00 54.44 C ATOM 1653 C ARG A 104 1.270 6.848 3.462 1.00 34.21 C ATOM 1654 O ARG A 104 1.041 6.547 2.301 1.00 0.42 O ATOM 1655 CB ARG A 104 -0.722 8.335 4.116 1.00 52.00 C ATOM 1656 CG ARG A 104 -1.599 8.328 2.861 1.00 42.44 C ATOM 1657 CD ARG A 104 -2.530 9.554 2.888 1.00 31.22 C ATOM 1658 NE ARG A 104 -3.039 9.904 1.558 1.00 74.51 N ATOM 1659 CZ ARG A 104 -2.461 10.744 0.694 1.00 63.20 C ATOM 1660 NH1 ARG A 104 -1.353 11.405 0.999 1.00 62.03 N ATOM 1661 NH2 ARG A 104 -2.995 10.883 -0.503 1.00 0.42 N ATOM 0 H ARG A 104 0.312 7.972 6.247 1.00 45.20 H new ATOM 0 HA ARG A 104 -0.560 6.179 4.186 1.00 54.44 H new ATOM 0 HB2 ARG A 104 -1.357 8.545 4.977 1.00 52.00 H new ATOM 0 HB3 ARG A 104 -0.013 9.159 4.034 1.00 52.00 H new ATOM 0 HG2 ARG A 104 -0.976 8.349 1.967 1.00 42.44 H new ATOM 0 HG3 ARG A 104 -2.187 7.411 2.818 1.00 42.44 H new ATOM 0 HD2 ARG A 104 -3.370 9.353 3.553 1.00 31.22 H new ATOM 0 HD3 ARG A 104 -1.991 10.406 3.303 1.00 31.22 H new ATOM 0 HE ARG A 104 -3.913 9.467 1.266 1.00 74.51 H new ATOM 0 HH11 ARG A 104 -0.919 11.279 1.914 1.00 62.03 H new ATOM 0 HH12 ARG A 104 -0.934 12.040 0.319 1.00 62.03 H new ATOM 0 HH21 ARG A 104 -3.831 10.355 -0.753 1.00 0.42 H new ATOM 0 HH22 ARG A 104 -2.572 11.518 -1.180 1.00 0.42 H new ATOM 1675 N ALA A 105 2.526 6.967 3.908 1.00 24.55 N ATOM 1676 CA ALA A 105 3.706 6.658 3.092 1.00 14.41 C ATOM 1677 C ALA A 105 4.174 5.208 3.276 1.00 61.50 C ATOM 1678 O ALA A 105 4.876 4.658 2.424 1.00 51.31 O ATOM 1679 CB ALA A 105 4.833 7.614 3.467 1.00 44.23 C ATOM 0 H ALA A 105 2.754 7.282 4.851 1.00 24.55 H new ATOM 0 HA ALA A 105 3.433 6.780 2.044 1.00 14.41 H new ATOM 0 HB1 ALA A 105 5.714 7.391 2.865 1.00 44.23 H new ATOM 0 HB2 ALA A 105 4.516 8.640 3.281 1.00 44.23 H new ATOM 0 HB3 ALA A 105 5.075 7.495 4.523 1.00 44.23 H new ATOM 1685 N THR A 106 3.797 4.556 4.376 1.00 44.50 N ATOM 1686 CA THR A 106 4.167 3.176 4.664 1.00 14.51 C ATOM 1687 C THR A 106 3.567 2.215 3.629 1.00 51.34 C ATOM 1688 O THR A 106 4.235 1.251 3.245 1.00 65.12 O ATOM 1689 CB THR A 106 3.658 2.867 6.080 1.00 63.42 C ATOM 1690 OG1 THR A 106 4.005 3.886 7.001 1.00 32.35 O ATOM 1691 CG2 THR A 106 4.180 1.544 6.628 1.00 1.53 C ATOM 0 H THR A 106 3.218 4.980 5.100 1.00 44.50 H new ATOM 0 HA THR A 106 5.248 3.044 4.609 1.00 14.51 H new ATOM 0 HB THR A 106 2.575 2.805 5.976 1.00 63.42 H new ATOM 0 HG1 THR A 106 3.663 3.654 7.890 1.00 32.35 H new ATOM 0 HG21 THR A 106 3.784 1.384 7.631 1.00 1.53 H new ATOM 0 HG22 THR A 106 3.861 0.730 5.978 1.00 1.53 H new ATOM 0 HG23 THR A 106 5.269 1.571 6.668 1.00 1.53 H new ATOM 1699 N MET A 107 2.338 2.475 3.161 1.00 4.41 N ATOM 1700 CA MET A 107 1.715 1.718 2.074 1.00 62.20 C ATOM 1701 C MET A 107 2.578 1.764 0.807 1.00 44.32 C ATOM 1702 O MET A 107 2.729 0.760 0.114 1.00 22.22 O ATOM 1703 CB MET A 107 0.287 2.222 1.784 1.00 1.24 C ATOM 1704 CG MET A 107 0.152 3.750 1.682 1.00 53.54 C ATOM 1705 SD MET A 107 -1.293 4.409 0.797 1.00 34.21 S ATOM 1706 CE MET A 107 -2.645 4.001 1.926 1.00 52.32 C ATOM 0 H MET A 107 1.748 3.221 3.530 1.00 4.41 H new ATOM 0 HA MET A 107 1.641 0.679 2.397 1.00 62.20 H new ATOM 0 HB2 MET A 107 -0.058 1.778 0.850 1.00 1.24 H new ATOM 0 HB3 MET A 107 -0.377 1.864 2.571 1.00 1.24 H new ATOM 0 HG2 MET A 107 0.140 4.155 2.694 1.00 53.54 H new ATOM 0 HG3 MET A 107 1.048 4.135 1.196 1.00 53.54 H new ATOM 0 HE1 MET A 107 -3.568 4.456 1.567 1.00 52.32 H new ATOM 0 HE2 MET A 107 -2.767 2.919 1.971 1.00 52.32 H new ATOM 0 HE3 MET A 107 -2.415 4.382 2.921 1.00 52.32 H new ATOM 1716 N THR A 108 3.191 2.910 0.517 1.00 71.03 N ATOM 1717 CA THR A 108 3.866 3.174 -0.741 1.00 21.15 C ATOM 1718 C THR A 108 5.055 2.232 -0.909 1.00 64.33 C ATOM 1719 O THR A 108 5.199 1.639 -1.973 1.00 43.43 O ATOM 1720 CB THR A 108 4.206 4.676 -0.797 1.00 74.43 C ATOM 1721 OG1 THR A 108 3.174 5.440 -0.187 1.00 71.45 O ATOM 1722 CG2 THR A 108 4.366 5.177 -2.228 1.00 13.21 C ATOM 0 H THR A 108 3.230 3.694 1.168 1.00 71.03 H new ATOM 0 HA THR A 108 3.228 2.965 -1.600 1.00 21.15 H new ATOM 0 HB THR A 108 5.150 4.798 -0.266 1.00 74.43 H new ATOM 0 HG1 THR A 108 3.322 6.392 -0.367 1.00 71.45 H new ATOM 0 HG21 THR A 108 4.605 6.240 -2.217 1.00 13.21 H new ATOM 0 HG22 THR A 108 5.171 4.629 -2.717 1.00 13.21 H new ATOM 0 HG23 THR A 108 3.436 5.020 -2.775 1.00 13.21 H new ATOM 1730 N ASN A 109 5.849 1.977 0.144 1.00 75.12 N ATOM 1731 CA ASN A 109 6.987 1.054 0.018 1.00 31.31 C ATOM 1732 C ASN A 109 6.552 -0.372 -0.336 1.00 51.52 C ATOM 1733 O ASN A 109 7.279 -1.101 -1.009 1.00 41.43 O ATOM 1734 CB ASN A 109 7.835 1.003 1.296 1.00 34.42 C ATOM 1735 CG ASN A 109 9.172 0.317 0.986 1.00 3.33 C ATOM 1736 OD1 ASN A 109 9.984 0.859 0.244 1.00 22.01 O ATOM 1737 ND2 ASN A 109 9.440 -0.861 1.528 1.00 3.23 N ATOM 0 H ASN A 109 5.728 2.386 1.071 1.00 75.12 H new ATOM 0 HA ASN A 109 7.587 1.454 -0.799 1.00 31.31 H new ATOM 0 HB2 ASN A 109 8.008 2.011 1.672 1.00 34.42 H new ATOM 0 HB3 ASN A 109 7.305 0.458 2.077 1.00 34.42 H new ATOM 0 HD21 ASN A 109 10.327 -1.324 1.329 1.00 3.23 H new ATOM 0 HD22 ASN A 109 8.760 -1.306 2.144 1.00 3.23 H new ATOM 1744 N TRP A 110 5.370 -0.789 0.128 1.00 62.31 N ATOM 1745 CA TRP A 110 4.847 -2.103 -0.208 1.00 1.12 C ATOM 1746 C TRP A 110 4.450 -2.179 -1.677 1.00 23.33 C ATOM 1747 O TRP A 110 4.620 -3.241 -2.259 1.00 23.41 O ATOM 1748 CB TRP A 110 3.674 -2.470 0.701 1.00 61.15 C ATOM 1749 CG TRP A 110 2.964 -3.738 0.332 1.00 64.22 C ATOM 1750 CD1 TRP A 110 3.238 -4.977 0.802 1.00 32.50 C ATOM 1751 CD2 TRP A 110 1.855 -3.900 -0.605 1.00 10.23 C ATOM 1752 NE1 TRP A 110 2.344 -5.880 0.255 1.00 44.41 N ATOM 1753 CE2 TRP A 110 1.476 -5.271 -0.622 1.00 63.43 C ATOM 1754 CE3 TRP A 110 1.102 -3.018 -1.413 1.00 64.41 C ATOM 1755 CZ2 TRP A 110 0.392 -5.740 -1.378 1.00 34.40 C ATOM 1756 CZ3 TRP A 110 0.013 -3.481 -2.175 1.00 73.40 C ATOM 1757 CH2 TRP A 110 -0.340 -4.840 -2.165 1.00 34.31 C ATOM 0 H TRP A 110 4.765 -0.234 0.734 1.00 62.31 H new ATOM 0 HA TRP A 110 5.640 -2.832 -0.044 1.00 1.12 H new ATOM 0 HB2 TRP A 110 4.040 -2.560 1.724 1.00 61.15 H new ATOM 0 HB3 TRP A 110 2.955 -1.651 0.690 1.00 61.15 H new ATOM 0 HD1 TRP A 110 4.030 -5.222 1.495 1.00 32.50 H new ATOM 0 HE1 TRP A 110 2.330 -6.876 0.475 1.00 44.41 H new ATOM 0 HE3 TRP A 110 1.367 -1.971 -1.446 1.00 64.41 H new ATOM 0 HZ2 TRP A 110 0.123 -6.786 -1.354 1.00 34.40 H new ATOM 0 HZ3 TRP A 110 -0.556 -2.785 -2.773 1.00 73.40 H new ATOM 0 HH2 TRP A 110 -1.171 -5.190 -2.760 1.00 34.31 H new ATOM 1768 N LEU A 111 3.951 -1.101 -2.293 1.00 72.00 N ATOM 1769 CA LEU A 111 3.575 -1.159 -3.704 1.00 50.52 C ATOM 1770 C LEU A 111 4.788 -1.520 -4.573 1.00 15.41 C ATOM 1771 O LEU A 111 4.643 -2.356 -5.468 1.00 71.35 O ATOM 1772 CB LEU A 111 2.885 0.140 -4.170 1.00 34.50 C ATOM 1773 CG LEU A 111 1.345 0.157 -4.087 1.00 71.15 C ATOM 1774 CD1 LEU A 111 0.829 1.473 -4.687 1.00 24.13 C ATOM 1775 CD2 LEU A 111 0.683 -0.995 -4.854 1.00 64.53 C ATOM 0 H LEU A 111 3.802 -0.197 -1.845 1.00 72.00 H new ATOM 0 HA LEU A 111 2.838 -1.953 -3.824 1.00 50.52 H new ATOM 0 HB2 LEU A 111 3.270 0.966 -3.573 1.00 34.50 H new ATOM 0 HB3 LEU A 111 3.175 0.331 -5.203 1.00 34.50 H new ATOM 0 HG LEU A 111 1.087 0.051 -3.033 1.00 71.15 H new ATOM 0 HD11 LEU A 111 -0.259 1.495 -4.633 1.00 24.13 H new ATOM 0 HD12 LEU A 111 1.237 2.314 -4.126 1.00 24.13 H new ATOM 0 HD13 LEU A 111 1.142 1.546 -5.728 1.00 24.13 H new ATOM 0 HD21 LEU A 111 -0.400 -0.923 -4.754 1.00 64.53 H new ATOM 0 HD22 LEU A 111 0.955 -0.934 -5.908 1.00 64.53 H new ATOM 0 HD23 LEU A 111 1.023 -1.947 -4.446 1.00 64.53 H new ATOM 1787 N LEU A 112 5.990 -0.995 -4.283 1.00 43.15 N ATOM 1788 CA LEU A 112 7.199 -1.486 -4.933 1.00 5.14 C ATOM 1789 C LEU A 112 7.392 -2.958 -4.580 1.00 44.42 C ATOM 1790 O LEU A 112 7.451 -3.776 -5.492 1.00 24.34 O ATOM 1791 CB LEU A 112 8.464 -0.716 -4.530 1.00 61.21 C ATOM 1792 CG LEU A 112 8.554 0.795 -4.793 1.00 74.02 C ATOM 1793 CD1 LEU A 112 7.756 1.280 -5.998 1.00 44.23 C ATOM 1794 CD2 LEU A 112 8.162 1.603 -3.559 1.00 22.12 C ATOM 0 H LEU A 112 6.142 -0.242 -3.612 1.00 43.15 H new ATOM 0 HA LEU A 112 7.061 -1.342 -6.005 1.00 5.14 H new ATOM 0 HB2 LEU A 112 8.611 -0.869 -3.461 1.00 61.21 H new ATOM 0 HB3 LEU A 112 9.306 -1.185 -5.038 1.00 61.21 H new ATOM 0 HG LEU A 112 9.604 0.965 -5.030 1.00 74.02 H new ATOM 0 HD11 LEU A 112 7.879 2.358 -6.106 1.00 44.23 H new ATOM 0 HD12 LEU A 112 8.117 0.782 -6.898 1.00 44.23 H new ATOM 0 HD13 LEU A 112 6.701 1.048 -5.853 1.00 44.23 H new ATOM 0 HD21 LEU A 112 8.237 2.667 -3.782 1.00 22.12 H new ATOM 0 HD22 LEU A 112 7.137 1.363 -3.278 1.00 22.12 H new ATOM 0 HD23 LEU A 112 8.832 1.357 -2.735 1.00 22.12 H new ATOM 1806 N ALA A 113 7.454 -3.306 -3.279 1.00 43.44 N ATOM 1807 CA ALA A 113 7.701 -4.662 -2.755 1.00 32.13 C ATOM 1808 C ALA A 113 6.538 -5.632 -3.069 1.00 24.15 C ATOM 1809 O ALA A 113 6.507 -6.736 -2.527 1.00 63.13 O ATOM 1810 CB ALA A 113 8.016 -4.636 -1.252 1.00 4.44 C ATOM 0 H ALA A 113 7.328 -2.620 -2.535 1.00 43.44 H new ATOM 0 HA ALA A 113 8.581 -5.043 -3.273 1.00 32.13 H new ATOM 0 HB1 ALA A 113 8.193 -5.652 -0.900 1.00 4.44 H new ATOM 0 HB2 ALA A 113 8.906 -4.032 -1.077 1.00 4.44 H new ATOM 0 HB3 ALA A 113 7.173 -4.206 -0.711 1.00 4.44 H new ATOM 1816 N TYR A 114 5.609 -5.263 -3.949 1.00 33.25 N ATOM 1817 CA TYR A 114 4.601 -6.118 -4.558 1.00 63.01 C ATOM 1818 C TYR A 114 5.027 -6.385 -6.006 1.00 42.34 C ATOM 1819 O TYR A 114 5.256 -7.535 -6.374 1.00 71.42 O ATOM 1820 CB TYR A 114 3.231 -5.419 -4.462 1.00 3.41 C ATOM 1821 CG TYR A 114 2.090 -6.119 -5.180 1.00 45.51 C ATOM 1822 CD1 TYR A 114 1.325 -7.083 -4.501 1.00 71.31 C ATOM 1823 CD2 TYR A 114 1.774 -5.790 -6.515 1.00 24.22 C ATOM 1824 CE1 TYR A 114 0.233 -7.700 -5.134 1.00 42.41 C ATOM 1825 CE2 TYR A 114 0.701 -6.419 -7.170 1.00 72.23 C ATOM 1826 CZ TYR A 114 -0.082 -7.363 -6.470 1.00 22.41 C ATOM 1827 OH TYR A 114 -1.182 -7.899 -7.062 1.00 30.14 O ATOM 0 H TYR A 114 5.539 -4.299 -4.273 1.00 33.25 H new ATOM 0 HA TYR A 114 4.511 -7.076 -4.045 1.00 63.01 H new ATOM 0 HB2 TYR A 114 2.967 -5.317 -3.409 1.00 3.41 H new ATOM 0 HB3 TYR A 114 3.327 -4.411 -4.865 1.00 3.41 H new ATOM 0 HD1 TYR A 114 1.578 -7.351 -3.486 1.00 71.31 H new ATOM 0 HD2 TYR A 114 2.361 -5.049 -7.038 1.00 24.22 H new ATOM 0 HE1 TYR A 114 -0.362 -8.428 -4.603 1.00 42.41 H new ATOM 0 HE2 TYR A 114 0.477 -6.182 -8.200 1.00 72.23 H new ATOM 0 HH TYR A 114 -1.979 -7.669 -6.540 1.00 30.14 H new ATOM 1837 N ARG A 115 5.161 -5.347 -6.851 1.00 30.42 N ATOM 1838 CA ARG A 115 5.454 -5.529 -8.286 1.00 13.53 C ATOM 1839 C ARG A 115 6.824 -6.148 -8.559 1.00 43.24 C ATOM 1840 O ARG A 115 6.971 -6.842 -9.567 1.00 2.43 O ATOM 1841 CB ARG A 115 5.277 -4.223 -9.069 1.00 3.32 C ATOM 1842 CG ARG A 115 6.191 -3.051 -8.638 1.00 64.24 C ATOM 1843 CD ARG A 115 7.079 -2.535 -9.771 1.00 45.12 C ATOM 1844 NE ARG A 115 8.454 -3.052 -9.673 1.00 65.43 N ATOM 1845 CZ ARG A 115 9.296 -3.350 -10.675 1.00 10.10 C ATOM 1846 NH1 ARG A 115 8.907 -3.419 -11.944 1.00 22.41 N ATOM 1847 NH2 ARG A 115 10.566 -3.593 -10.395 1.00 12.44 N ATOM 0 H ARG A 115 5.071 -4.372 -6.565 1.00 30.42 H new ATOM 0 HA ARG A 115 4.718 -6.249 -8.643 1.00 13.53 H new ATOM 0 HB2 ARG A 115 5.454 -4.428 -10.125 1.00 3.32 H new ATOM 0 HB3 ARG A 115 4.239 -3.903 -8.976 1.00 3.32 H new ATOM 0 HG2 ARG A 115 5.573 -2.233 -8.268 1.00 64.24 H new ATOM 0 HG3 ARG A 115 6.821 -3.375 -7.809 1.00 64.24 H new ATOM 0 HD2 ARG A 115 6.650 -2.826 -10.730 1.00 45.12 H new ATOM 0 HD3 ARG A 115 7.099 -1.445 -9.749 1.00 45.12 H new ATOM 0 HE ARG A 115 8.810 -3.202 -8.729 1.00 65.43 H new ATOM 0 HH11 ARG A 115 7.933 -3.242 -12.189 1.00 22.41 H new ATOM 0 HH12 ARG A 115 9.583 -3.649 -12.673 1.00 22.41 H new ATOM 0 HH21 ARG A 115 10.892 -3.552 -9.429 1.00 12.44 H new ATOM 0 HH22 ARG A 115 11.219 -3.821 -11.145 1.00 12.44 H new ATOM 1861 N ARG A 116 7.765 -6.048 -7.614 1.00 70.04 N ATOM 1862 CA ARG A 116 8.997 -6.840 -7.605 1.00 5.44 C ATOM 1863 C ARG A 116 8.822 -8.298 -7.918 1.00 23.40 C ATOM 1864 O ARG A 116 9.650 -8.915 -8.571 1.00 14.25 O ATOM 1865 CB ARG A 116 9.902 -6.456 -6.456 1.00 71.32 C ATOM 1866 CG ARG A 116 9.361 -6.460 -5.058 1.00 71.33 C ATOM 1867 CD ARG A 116 8.850 -7.850 -4.965 1.00 70.21 C ATOM 1868 NE ARG A 116 8.498 -8.296 -3.606 1.00 34.20 N ATOM 1869 CZ ARG A 116 8.753 -9.444 -2.974 1.00 12.54 C ATOM 1870 NH1 ARG A 116 9.309 -10.467 -3.605 1.00 52.41 N ATOM 1871 NH2 ARG A 116 8.458 -9.531 -1.685 1.00 44.44 N ATOM 0 H ARG A 116 7.690 -5.406 -6.825 1.00 70.04 H new ATOM 0 HA ARG A 116 9.576 -6.556 -8.484 1.00 5.44 H new ATOM 0 HB2 ARG A 116 10.759 -7.129 -6.476 1.00 71.32 H new ATOM 0 HB3 ARG A 116 10.279 -5.453 -6.658 1.00 71.32 H new ATOM 0 HG2 ARG A 116 10.131 -6.252 -4.316 1.00 71.33 H new ATOM 0 HG3 ARG A 116 8.574 -5.719 -4.917 1.00 71.33 H new ATOM 0 HD2 ARG A 116 7.969 -7.940 -5.600 1.00 70.21 H new ATOM 0 HD3 ARG A 116 9.604 -8.526 -5.369 1.00 70.21 H new ATOM 0 HE ARG A 116 7.973 -7.615 -3.057 1.00 34.20 H new ATOM 0 HH11 ARG A 116 9.551 -10.387 -4.593 1.00 52.41 H new ATOM 0 HH12 ARG A 116 9.495 -11.335 -3.103 1.00 52.41 H new ATOM 0 HH21 ARG A 116 8.047 -8.733 -1.201 1.00 44.44 H new ATOM 0 HH22 ARG A 116 8.642 -10.396 -1.177 1.00 44.44 H new ATOM 1885 N SER A 117 7.719 -8.834 -7.448 1.00 44.44 N ATOM 1886 CA SER A 117 7.666 -10.246 -7.351 1.00 24.44 C ATOM 1887 C SER A 117 7.176 -10.811 -8.703 1.00 12.42 C ATOM 1888 O SER A 117 7.376 -11.984 -9.008 1.00 23.20 O ATOM 1889 CB SER A 117 6.762 -10.688 -6.198 1.00 41.21 C ATOM 1890 OG SER A 117 7.447 -11.608 -5.387 1.00 25.45 O ATOM 0 H SER A 117 6.888 -8.327 -7.143 1.00 44.44 H new ATOM 0 HA SER A 117 8.660 -10.637 -7.134 1.00 24.44 H new ATOM 0 HB2 SER A 117 6.459 -9.823 -5.608 1.00 41.21 H new ATOM 0 HB3 SER A 117 5.851 -11.141 -6.590 1.00 41.21 H new ATOM 0 HG SER A 117 6.867 -11.888 -4.648 1.00 25.45 H new ATOM 1896 N GLN A 118 6.464 -9.979 -9.487 1.00 72.33 N ATOM 1897 CA GLN A 118 5.807 -10.383 -10.722 1.00 31.42 C ATOM 1898 C GLN A 118 6.847 -10.877 -11.719 1.00 43.11 C ATOM 1899 O GLN A 118 6.763 -11.997 -12.215 1.00 53.42 O ATOM 1900 CB GLN A 118 4.972 -9.242 -11.318 1.00 41.33 C ATOM 1901 CG GLN A 118 3.652 -9.024 -10.571 1.00 42.23 C ATOM 1902 CD GLN A 118 2.831 -7.892 -11.181 1.00 62.21 C ATOM 1903 OE1 GLN A 118 2.723 -7.740 -12.397 1.00 31.44 O ATOM 1904 NE2 GLN A 118 2.240 -7.073 -10.332 1.00 12.54 N ATOM 0 H GLN A 118 6.333 -8.992 -9.266 1.00 72.33 H new ATOM 0 HA GLN A 118 5.118 -11.197 -10.494 1.00 31.42 H new ATOM 0 HB2 GLN A 118 5.554 -8.321 -11.295 1.00 41.33 H new ATOM 0 HB3 GLN A 118 4.761 -9.460 -12.365 1.00 41.33 H new ATOM 0 HG2 GLN A 118 3.069 -9.945 -10.588 1.00 42.23 H new ATOM 0 HG3 GLN A 118 3.860 -8.798 -9.525 1.00 42.23 H new ATOM 0 HE21 GLN A 118 2.343 -7.218 -9.328 1.00 12.54 H new ATOM 0 HE22 GLN A 118 1.680 -6.295 -10.680 1.00 12.54 H new