USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot 180:sc= 0.104 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -136:sc= -1.03 (180deg=-2.77!) USER MOD Set 2.1: A 38 THR OG1 : rot -140:sc= 0.565 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 171:sc= 0.728 (180deg=0.024) USER MOD Single : A 1 SER N :NH3+ 167:sc= -0.0647 (180deg=-0.265) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN :FLIP amide:sc= -0.0619 F(o=-2!,f=-0.062) USER MOD Single : A 3 SER OG : rot 50:sc= 0.581 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -173:sc= -5.46! (180deg=-5.67!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -143:sc= -1.16 (180deg=-2.56!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -87:sc= 0.733 USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= -0.574 (180deg=-2.21!) USER MOD Single : A 17 LYS NZ :NH3+ -126:sc= -0.142 (180deg=-2.62!) USER MOD Single : A 18 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3.2!) USER MOD Single : A 21 MET CE :methyl -146:sc= -4.05! (180deg=-4.58!) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -1.62 (180deg=-2.83!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.0166 K(o=0.017,f=-0.73) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 165:sc= 0 USER MOD Single : A 32 SER OG : rot -88:sc= 0.916 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 63:sc= 0.426 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0707 (180deg=-0.347) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= -2.83 (180deg=-3.54!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 80:sc= 1.2 USER MOD Single : A 86 TYR OH : rot 165:sc= -1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.223 -14.127 -4.738 1.00 5.27 N ATOM 2 CA SER A 1 7.905 -13.328 -5.949 1.00 4.57 C ATOM 3 C SER A 1 6.406 -13.074 -6.056 1.00 3.87 C ATOM 4 O SER A 1 5.867 -12.927 -7.154 1.00 4.07 O ATOM 5 CB SER A 1 8.399 -14.053 -7.203 1.00 4.91 C ATOM 6 OG SER A 1 9.801 -14.256 -7.157 1.00 5.15 O ATOM 0 H1 SER A 1 9.202 -14.473 -4.798 1.00 5.27 H new ATOM 0 H2 SER A 1 8.117 -13.532 -3.892 1.00 5.27 H new ATOM 0 H3 SER A 1 7.573 -14.936 -4.675 1.00 5.27 H new ATOM 0 HA SER A 1 8.413 -12.367 -5.865 1.00 4.57 H new ATOM 0 HB2 SER A 1 7.892 -15.014 -7.295 1.00 4.91 H new ATOM 0 HB3 SER A 1 8.142 -13.471 -8.088 1.00 4.91 H new ATOM 0 HG SER A 1 10.091 -14.722 -7.969 1.00 5.15 H new ATOM 14 N ASN A 2 5.735 -13.022 -4.910 1.00 3.40 N ATOM 15 CA ASN A 2 4.296 -12.787 -4.876 1.00 2.96 C ATOM 16 C ASN A 2 3.995 -11.292 -4.819 1.00 2.16 C ATOM 17 O ASN A 2 3.268 -10.826 -3.940 1.00 2.43 O ATOM 18 CB ASN A 2 3.670 -13.494 -3.670 1.00 3.50 C ATOM 19 CG ASN A 2 2.196 -13.802 -3.867 1.00 3.39 C ATOM 20 OD1 ASN A 2 1.512 -12.979 -4.657 1.00 3.86 O flip ATOM 21 ND2 ASN A 2 1.676 -14.771 -3.314 1.00 3.25 N flip ATOM 0 H ASN A 2 6.165 -13.139 -3.992 1.00 3.40 H new ATOM 0 HA ASN A 2 3.862 -13.194 -5.789 1.00 2.96 H new ATOM 0 HB2 ASN A 2 4.208 -14.423 -3.480 1.00 3.50 H new ATOM 0 HB3 ASN A 2 3.791 -12.869 -2.785 1.00 3.50 H new ATOM 0 HD21 ASN A 2 2.236 -15.378 -2.716 1.00 3.25 H new ATOM 0 HD22 ASN A 2 0.685 -14.967 -3.454 1.00 3.25 H new ATOM 28 N SER A 3 4.559 -10.545 -5.763 1.00 1.75 N ATOM 29 CA SER A 3 4.355 -9.102 -5.825 1.00 1.09 C ATOM 30 C SER A 3 3.771 -8.691 -7.174 1.00 0.88 C ATOM 31 O SER A 3 4.494 -8.236 -8.062 1.00 1.68 O ATOM 32 CB SER A 3 5.676 -8.368 -5.579 1.00 1.05 C ATOM 33 OG SER A 3 6.663 -8.762 -6.517 1.00 1.79 O ATOM 0 H SER A 3 5.162 -10.916 -6.497 1.00 1.75 H new ATOM 0 HA SER A 3 3.645 -8.826 -5.045 1.00 1.09 H new ATOM 0 HB2 SER A 3 5.515 -7.292 -5.646 1.00 1.05 H new ATOM 0 HB3 SER A 3 6.028 -8.575 -4.568 1.00 1.05 H new ATOM 0 HG SER A 3 6.295 -8.702 -7.423 1.00 1.79 H new ATOM 39 N SER A 4 2.460 -8.856 -7.321 1.00 0.65 N ATOM 40 CA SER A 4 1.781 -8.503 -8.563 1.00 0.69 C ATOM 41 C SER A 4 0.692 -7.464 -8.318 1.00 0.84 C ATOM 42 O SER A 4 -0.109 -7.171 -9.207 1.00 1.84 O ATOM 43 CB SER A 4 1.172 -9.748 -9.209 1.00 1.16 C ATOM 44 OG SER A 4 2.167 -10.720 -9.482 1.00 1.99 O ATOM 0 H SER A 4 1.848 -9.231 -6.597 1.00 0.65 H new ATOM 0 HA SER A 4 2.522 -8.074 -9.238 1.00 0.69 H new ATOM 0 HB2 SER A 4 0.417 -10.172 -8.547 1.00 1.16 H new ATOM 0 HB3 SER A 4 0.666 -9.471 -10.134 1.00 1.16 H new ATOM 0 HG SER A 4 1.752 -11.507 -9.893 1.00 1.99 H new ATOM 50 N MET A 5 0.670 -6.911 -7.106 1.00 0.47 N ATOM 51 CA MET A 5 -0.321 -5.903 -6.739 1.00 0.38 C ATOM 52 C MET A 5 -1.743 -6.431 -6.917 1.00 0.54 C ATOM 53 O MET A 5 -2.360 -6.218 -7.959 1.00 1.22 O ATOM 54 CB MET A 5 -0.132 -4.640 -7.580 1.00 0.40 C ATOM 55 CG MET A 5 0.853 -3.655 -6.980 1.00 0.34 C ATOM 56 SD MET A 5 2.493 -4.361 -6.755 1.00 0.56 S ATOM 57 CE MET A 5 3.335 -2.974 -6.006 1.00 0.37 C ATOM 0 H MET A 5 1.328 -7.145 -6.362 1.00 0.47 H new ATOM 0 HA MET A 5 -0.173 -5.662 -5.686 1.00 0.38 H new ATOM 0 HB2 MET A 5 0.211 -4.924 -8.575 1.00 0.40 H new ATOM 0 HB3 MET A 5 -1.097 -4.148 -7.703 1.00 0.40 H new ATOM 0 HG2 MET A 5 0.924 -2.780 -7.626 1.00 0.34 H new ATOM 0 HG3 MET A 5 0.475 -3.311 -6.017 1.00 0.34 H new ATOM 0 HE1 MET A 5 4.397 -3.200 -5.915 1.00 0.37 H new ATOM 0 HE2 MET A 5 3.204 -2.089 -6.629 1.00 0.37 H new ATOM 0 HE3 MET A 5 2.918 -2.786 -5.017 1.00 0.37 H new ATOM 67 N ASN A 6 -2.255 -7.124 -5.902 1.00 0.27 N ATOM 68 CA ASN A 6 -3.610 -7.674 -5.952 1.00 0.24 C ATOM 69 C ASN A 6 -4.641 -6.587 -5.632 1.00 0.24 C ATOM 70 O ASN A 6 -4.794 -6.206 -4.476 1.00 0.25 O ATOM 71 CB ASN A 6 -3.750 -8.829 -4.955 1.00 0.28 C ATOM 72 CG ASN A 6 -2.776 -9.957 -5.234 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.655 -9.963 -4.726 1.00 1.72 O ATOM 74 ND2 ASN A 6 -3.201 -10.920 -6.043 1.00 0.87 N ATOM 0 H ASN A 6 -1.753 -7.318 -5.035 1.00 0.27 H new ATOM 0 HA ASN A 6 -3.792 -8.048 -6.960 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.587 -8.454 -3.944 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.769 -9.215 -4.992 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.590 -11.706 -6.266 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -4.139 -10.874 -6.442 1.00 0.87 H new ATOM 81 N PRO A 7 -5.388 -6.094 -6.641 1.00 0.25 N ATOM 82 CA PRO A 7 -6.377 -5.027 -6.435 1.00 0.26 C ATOM 83 C PRO A 7 -7.469 -5.415 -5.450 1.00 0.26 C ATOM 84 O PRO A 7 -8.187 -4.556 -4.946 1.00 0.26 O ATOM 85 CB PRO A 7 -6.974 -4.803 -7.832 1.00 0.28 C ATOM 86 CG PRO A 7 -5.982 -5.390 -8.775 1.00 0.43 C ATOM 87 CD PRO A 7 -5.357 -6.542 -8.044 1.00 0.29 C ATOM 0 HA PRO A 7 -5.915 -4.137 -6.007 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -7.945 -5.288 -7.928 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.127 -3.742 -8.030 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.465 -5.725 -9.693 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.231 -4.654 -9.061 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.920 -7.465 -8.186 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.340 -6.733 -8.385 1.00 0.29 H new ATOM 95 N LYS A 8 -7.596 -6.707 -5.180 1.00 0.30 N ATOM 96 CA LYS A 8 -8.606 -7.186 -4.247 1.00 0.33 C ATOM 97 C LYS A 8 -8.153 -6.975 -2.807 1.00 0.27 C ATOM 98 O LYS A 8 -8.904 -6.464 -1.978 1.00 0.26 O ATOM 99 CB LYS A 8 -8.909 -8.665 -4.495 1.00 0.43 C ATOM 100 CG LYS A 8 -9.340 -8.965 -5.922 1.00 0.77 C ATOM 101 CD LYS A 8 -8.145 -9.224 -6.825 1.00 0.59 C ATOM 102 CE LYS A 8 -8.323 -8.572 -8.187 1.00 0.73 C ATOM 103 NZ LYS A 8 -7.322 -9.065 -9.174 1.00 1.39 N ATOM 0 H LYS A 8 -7.016 -7.438 -5.591 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.518 -6.612 -4.410 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -8.022 -9.254 -4.260 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.695 -8.986 -3.811 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.997 -9.835 -5.929 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.917 -8.126 -6.312 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.241 -8.840 -6.352 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -8.008 -10.298 -6.950 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -9.328 -8.774 -8.558 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -8.232 -7.491 -8.087 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -7.030 -8.282 -9.793 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -6.492 -9.437 -8.670 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -7.745 -9.821 -9.749 1.00 1.39 H new ATOM 117 N SER A 9 -6.920 -7.374 -2.519 1.00 0.26 N ATOM 118 CA SER A 9 -6.365 -7.235 -1.178 1.00 0.26 C ATOM 119 C SER A 9 -5.945 -5.799 -0.890 1.00 0.19 C ATOM 120 O SER A 9 -6.165 -5.291 0.209 1.00 0.23 O ATOM 121 CB SER A 9 -5.177 -8.179 -0.996 1.00 0.33 C ATOM 122 OG SER A 9 -5.581 -9.534 -1.096 1.00 0.71 O ATOM 0 H SER A 9 -6.285 -7.797 -3.196 1.00 0.26 H new ATOM 0 HA SER A 9 -7.147 -7.502 -0.467 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.420 -7.965 -1.751 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.716 -8.005 -0.024 1.00 0.33 H new ATOM 0 HG SER A 9 -4.802 -10.117 -0.978 1.00 0.71 H new ATOM 128 N LEU A 10 -5.332 -5.153 -1.873 1.00 0.15 N ATOM 129 CA LEU A 10 -4.887 -3.776 -1.715 1.00 0.20 C ATOM 130 C LEU A 10 -6.051 -2.856 -1.369 1.00 0.19 C ATOM 131 O LEU A 10 -5.845 -1.728 -0.930 1.00 0.27 O ATOM 132 CB LEU A 10 -4.197 -3.289 -2.989 1.00 0.24 C ATOM 133 CG LEU A 10 -3.006 -4.134 -3.437 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.496 -3.668 -4.788 1.00 0.47 C ATOM 135 CD2 LEU A 10 -1.899 -4.084 -2.399 1.00 0.50 C ATOM 0 H LEU A 10 -5.132 -5.560 -2.787 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.174 -3.749 -0.891 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.930 -3.264 -3.795 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -3.859 -2.264 -2.833 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.336 -5.168 -3.537 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.648 -4.283 -5.089 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.291 -3.759 -5.528 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.183 -2.626 -4.719 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.058 -4.691 -2.734 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.571 -3.053 -2.266 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.271 -4.472 -1.451 1.00 0.50 H new ATOM 147 N THR A 11 -7.276 -3.336 -1.562 1.00 0.14 N ATOM 148 CA THR A 11 -8.452 -2.521 -1.261 1.00 0.18 C ATOM 149 C THR A 11 -9.369 -3.203 -0.255 1.00 0.15 C ATOM 150 O THR A 11 -10.564 -2.914 -0.192 1.00 0.18 O ATOM 151 CB THR A 11 -9.250 -2.188 -2.531 1.00 0.25 C ATOM 152 OG1 THR A 11 -9.559 -3.386 -3.249 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.476 -1.231 -3.419 1.00 0.35 C ATOM 0 H THR A 11 -7.481 -4.269 -1.919 1.00 0.14 H new ATOM 0 HA THR A 11 -8.079 -1.595 -0.824 1.00 0.18 H new ATOM 0 HB THR A 11 -10.180 -1.704 -2.233 1.00 0.25 H new ATOM 0 HG1 THR A 11 -8.820 -3.605 -3.854 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.061 -1.010 -4.312 1.00 0.35 H new ATOM 0 HG22 THR A 11 -8.281 -0.307 -2.875 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.530 -1.688 -3.709 1.00 0.35 H new ATOM 161 N ASP A 12 -8.802 -4.110 0.531 1.00 0.11 N ATOM 162 CA ASP A 12 -9.559 -4.818 1.546 1.00 0.12 C ATOM 163 C ASP A 12 -9.106 -4.332 2.915 1.00 0.11 C ATOM 164 O ASP A 12 -7.952 -4.535 3.290 1.00 0.10 O ATOM 165 CB ASP A 12 -9.353 -6.328 1.421 1.00 0.14 C ATOM 166 CG ASP A 12 -10.378 -7.115 2.214 1.00 0.24 C ATOM 167 OD1 ASP A 12 -10.276 -7.140 3.457 1.00 0.51 O ATOM 168 OD2 ASP A 12 -11.285 -7.706 1.591 1.00 0.57 O ATOM 0 H ASP A 12 -7.817 -4.370 0.482 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.622 -4.617 1.414 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.411 -6.615 0.371 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.352 -6.586 1.767 1.00 0.14 H new ATOM 173 N PRO A 13 -9.997 -3.673 3.680 1.00 0.11 N ATOM 174 CA PRO A 13 -9.656 -3.135 4.995 1.00 0.11 C ATOM 175 C PRO A 13 -8.854 -4.095 5.865 1.00 0.12 C ATOM 176 O PRO A 13 -8.198 -3.670 6.811 1.00 0.13 O ATOM 177 CB PRO A 13 -11.018 -2.858 5.617 1.00 0.12 C ATOM 178 CG PRO A 13 -11.865 -2.493 4.455 1.00 0.12 C ATOM 179 CD PRO A 13 -11.404 -3.383 3.328 1.00 0.11 C ATOM 0 HA PRO A 13 -9.011 -2.260 4.910 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.407 -3.734 6.137 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.969 -2.050 6.347 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.921 -2.651 4.674 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.747 -1.440 4.198 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -11.999 -4.294 3.265 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.483 -2.883 2.362 1.00 0.11 H new ATOM 187 N LYS A 14 -8.905 -5.386 5.560 1.00 0.13 N ATOM 188 CA LYS A 14 -8.155 -6.360 6.345 1.00 0.15 C ATOM 189 C LYS A 14 -6.665 -6.047 6.260 1.00 0.13 C ATOM 190 O LYS A 14 -5.969 -5.988 7.275 1.00 0.16 O ATOM 191 CB LYS A 14 -8.425 -7.785 5.859 1.00 0.18 C ATOM 192 CG LYS A 14 -8.531 -8.802 6.987 1.00 0.34 C ATOM 193 CD LYS A 14 -7.279 -8.822 7.855 1.00 0.60 C ATOM 194 CE LYS A 14 -6.079 -9.360 7.094 1.00 0.54 C ATOM 195 NZ LYS A 14 -4.912 -9.587 7.989 1.00 1.37 N ATOM 0 H LYS A 14 -9.447 -5.778 4.790 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.481 -6.293 7.383 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.351 -7.795 5.284 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.626 -8.087 5.182 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -9.398 -8.569 7.606 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.697 -9.794 6.567 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -7.064 -7.813 8.208 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -7.457 -9.437 8.737 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -6.349 -10.296 6.605 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -5.803 -8.657 6.308 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -4.356 -10.392 7.637 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -4.316 -8.735 8.005 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -5.248 -9.793 8.952 1.00 1.37 H new ATOM 209 N LEU A 15 -6.190 -5.845 5.038 1.00 0.09 N ATOM 210 CA LEU A 15 -4.793 -5.514 4.793 1.00 0.08 C ATOM 211 C LEU A 15 -4.533 -4.045 5.077 1.00 0.08 C ATOM 212 O LEU A 15 -3.487 -3.670 5.597 1.00 0.09 O ATOM 213 CB LEU A 15 -4.428 -5.801 3.333 1.00 0.08 C ATOM 214 CG LEU A 15 -4.429 -7.271 2.916 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.533 -8.068 3.840 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.841 -7.838 2.909 1.00 0.12 C ATOM 0 H LEU A 15 -6.759 -5.906 4.193 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.183 -6.127 5.456 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.126 -5.262 2.693 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.437 -5.390 3.140 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.041 -7.344 1.900 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.538 -9.115 3.538 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.516 -7.679 3.785 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.899 -7.984 4.863 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.811 -8.885 2.609 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.270 -7.759 3.908 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.455 -7.276 2.205 1.00 0.12 H new ATOM 228 N LEU A 16 -5.502 -3.221 4.724 1.00 0.10 N ATOM 229 CA LEU A 16 -5.397 -1.783 4.902 1.00 0.12 C ATOM 230 C LEU A 16 -5.270 -1.405 6.377 1.00 0.16 C ATOM 231 O LEU A 16 -4.625 -0.416 6.716 1.00 0.27 O ATOM 232 CB LEU A 16 -6.614 -1.120 4.261 1.00 0.10 C ATOM 233 CG LEU A 16 -6.917 -1.610 2.846 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.314 -1.193 2.415 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.872 -1.080 1.876 1.00 0.18 C ATOM 0 H LEU A 16 -6.381 -3.527 4.307 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.490 -1.427 4.414 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.486 -1.299 4.891 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.456 -0.042 4.235 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.878 -2.699 2.840 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.506 -1.554 1.404 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.048 -1.620 3.098 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.391 -0.106 2.433 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.096 -1.435 0.870 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.884 0.010 1.888 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.886 -1.435 2.174 1.00 0.18 H new ATOM 247 N LYS A 17 -5.908 -2.174 7.251 1.00 0.14 N ATOM 248 CA LYS A 17 -5.807 -1.927 8.681 1.00 0.17 C ATOM 249 C LYS A 17 -4.542 -2.591 9.205 1.00 0.18 C ATOM 250 O LYS A 17 -4.006 -2.218 10.248 1.00 0.22 O ATOM 251 CB LYS A 17 -7.040 -2.460 9.406 1.00 0.19 C ATOM 252 CG LYS A 17 -8.323 -1.781 8.975 1.00 0.20 C ATOM 253 CD LYS A 17 -9.540 -2.481 9.551 1.00 0.24 C ATOM 254 CE LYS A 17 -10.818 -1.756 9.180 1.00 0.31 C ATOM 255 NZ LYS A 17 -12.023 -2.435 9.733 1.00 0.88 N ATOM 0 H LYS A 17 -6.496 -2.967 6.996 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.755 -0.854 8.865 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.125 -3.532 9.226 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.909 -2.327 10.480 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.312 -0.740 9.299 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.386 -1.775 7.887 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.581 -3.506 9.183 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.452 -2.535 10.636 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.776 -0.732 9.552 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.900 -1.698 8.095 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.696 -2.627 8.964 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.742 -3.331 10.180 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -12.473 -1.821 10.442 1.00 0.88 H new ATOM 269 N ASN A 18 -4.078 -3.585 8.451 1.00 0.14 N ATOM 270 CA ASN A 18 -2.862 -4.316 8.776 1.00 0.15 C ATOM 271 C ASN A 18 -1.850 -4.114 7.659 1.00 0.13 C ATOM 272 O ASN A 18 -1.497 -5.056 6.955 1.00 0.11 O ATOM 273 CB ASN A 18 -3.168 -5.810 8.933 1.00 0.16 C ATOM 274 CG ASN A 18 -2.254 -6.498 9.927 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.678 -5.858 10.808 1.00 0.50 O ATOM 276 ND2 ASN A 18 -2.128 -7.814 9.798 1.00 0.53 N ATOM 0 H ASN A 18 -4.537 -3.904 7.598 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.456 -3.943 9.716 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.203 -5.932 9.254 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -3.075 -6.299 7.963 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.535 -8.335 10.444 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.624 -8.303 9.053 1.00 0.53 H new ATOM 283 N ILE A 19 -1.402 -2.870 7.496 1.00 0.13 N ATOM 284 CA ILE A 19 -0.450 -2.521 6.445 1.00 0.12 C ATOM 285 C ILE A 19 0.629 -3.586 6.250 1.00 0.10 C ATOM 286 O ILE A 19 0.893 -3.979 5.118 1.00 0.09 O ATOM 287 CB ILE A 19 0.211 -1.154 6.699 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.816 -0.008 6.625 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.341 -0.929 5.707 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.999 -0.253 5.706 1.00 0.49 C ATOM 0 H ILE A 19 -1.685 -2.084 8.082 1.00 0.13 H new ATOM 0 HA ILE A 19 -1.036 -2.463 5.528 1.00 0.12 H new ATOM 0 HB ILE A 19 0.622 -1.159 7.708 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.192 0.186 7.630 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.303 0.896 6.296 1.00 0.20 H new ATOM 0 HG21 ILE A 19 1.802 0.041 5.895 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.088 -1.715 5.822 1.00 0.19 H new ATOM 0 HG23 ILE A 19 0.944 -0.951 4.692 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -2.661 0.613 5.726 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -1.642 -0.413 4.689 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -2.545 -1.135 6.042 1.00 0.49 H new ATOM 302 N PRO A 20 1.301 -4.052 7.318 1.00 0.12 N ATOM 303 CA PRO A 20 2.311 -5.097 7.173 1.00 0.12 C ATOM 304 C PRO A 20 1.774 -6.230 6.312 1.00 0.11 C ATOM 305 O PRO A 20 2.418 -6.686 5.367 1.00 0.14 O ATOM 306 CB PRO A 20 2.519 -5.574 8.604 1.00 0.14 C ATOM 307 CG PRO A 20 2.249 -4.368 9.434 1.00 0.15 C ATOM 308 CD PRO A 20 1.159 -3.610 8.721 1.00 0.14 C ATOM 0 HA PRO A 20 3.228 -4.751 6.695 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.841 -6.390 8.854 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.533 -5.944 8.757 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.936 -4.648 10.440 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.146 -3.757 9.538 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.174 -3.850 9.121 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.288 -2.532 8.818 1.00 0.14 H new ATOM 316 N MET A 21 0.568 -6.661 6.663 1.00 0.10 N ATOM 317 CA MET A 21 -0.137 -7.712 5.949 1.00 0.10 C ATOM 318 C MET A 21 -0.420 -7.244 4.522 1.00 0.08 C ATOM 319 O MET A 21 -0.341 -8.013 3.567 1.00 0.10 O ATOM 320 CB MET A 21 -1.434 -8.013 6.697 1.00 0.13 C ATOM 321 CG MET A 21 -1.998 -9.405 6.468 1.00 0.25 C ATOM 322 SD MET A 21 -1.616 -10.549 7.811 1.00 0.94 S ATOM 323 CE MET A 21 0.154 -10.728 7.621 1.00 0.54 C ATOM 0 H MET A 21 0.050 -6.286 7.458 1.00 0.10 H new ATOM 0 HA MET A 21 0.463 -8.621 5.897 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.260 -7.879 7.765 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.185 -7.280 6.402 1.00 0.13 H new ATOM 0 HG2 MET A 21 -3.080 -9.338 6.351 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.601 -9.803 5.534 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.448 -11.742 7.891 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.430 -10.534 6.585 1.00 0.54 H new ATOM 0 HE3 MET A 21 0.663 -10.017 8.271 1.00 0.54 H new ATOM 333 N TRP A 22 -0.787 -5.972 4.395 1.00 0.06 N ATOM 334 CA TRP A 22 -1.024 -5.363 3.095 1.00 0.06 C ATOM 335 C TRP A 22 0.207 -5.550 2.215 1.00 0.06 C ATOM 336 O TRP A 22 0.101 -5.766 1.007 1.00 0.08 O ATOM 337 CB TRP A 22 -1.336 -3.878 3.290 1.00 0.07 C ATOM 338 CG TRP A 22 -1.740 -3.153 2.047 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.971 -3.152 1.457 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.910 -2.305 1.249 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.957 -2.353 0.341 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.701 -1.826 0.189 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.428 -1.906 1.329 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.200 -0.969 -0.786 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.926 -1.055 0.359 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.114 -0.597 -0.687 1.00 0.11 C ATOM 0 H TRP A 22 -0.927 -5.341 5.184 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.873 -5.839 2.604 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.135 -3.783 4.025 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.457 -3.389 3.710 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.830 -3.700 1.816 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.752 -2.180 -0.275 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.060 -2.255 2.132 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.824 -0.611 -1.591 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.957 -0.738 0.409 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.534 0.064 -1.431 1.00 0.11 H new ATOM 357 N LEU A 23 1.377 -5.462 2.844 1.00 0.06 N ATOM 358 CA LEU A 23 2.645 -5.642 2.162 1.00 0.08 C ATOM 359 C LEU A 23 2.910 -7.124 1.901 1.00 0.10 C ATOM 360 O LEU A 23 3.639 -7.474 0.976 1.00 0.13 O ATOM 361 CB LEU A 23 3.768 -5.048 3.006 1.00 0.09 C ATOM 362 CG LEU A 23 3.790 -3.518 3.071 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.795 -3.037 4.102 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.105 -2.923 1.708 1.00 0.10 C ATOM 0 H LEU A 23 1.467 -5.264 3.841 1.00 0.06 H new ATOM 0 HA LEU A 23 2.605 -5.128 1.202 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.685 -5.438 4.020 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.722 -5.393 2.608 1.00 0.09 H new ATOM 0 HG LEU A 23 2.798 -3.181 3.372 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.793 -1.947 4.131 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.524 -3.426 5.083 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.790 -3.391 3.833 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.115 -1.835 1.779 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.082 -3.274 1.375 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.344 -3.233 0.991 1.00 0.10 H new ATOM 376 N LYS A 24 2.326 -7.991 2.735 1.00 0.10 N ATOM 377 CA LYS A 24 2.473 -9.424 2.582 1.00 0.13 C ATOM 378 C LYS A 24 2.070 -9.853 1.176 1.00 0.13 C ATOM 379 O LYS A 24 2.760 -10.645 0.533 1.00 0.16 O ATOM 380 CB LYS A 24 1.571 -10.104 3.608 1.00 0.17 C ATOM 381 CG LYS A 24 2.271 -10.965 4.630 1.00 0.51 C ATOM 382 CD LYS A 24 3.453 -10.273 5.270 1.00 1.24 C ATOM 383 CE LYS A 24 3.025 -9.427 6.456 1.00 2.30 C ATOM 384 NZ LYS A 24 4.157 -8.646 7.025 1.00 3.29 N ATOM 0 H LYS A 24 1.745 -7.712 3.526 1.00 0.10 H new ATOM 0 HA LYS A 24 3.513 -9.709 2.739 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.007 -9.334 4.135 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.848 -10.721 3.075 1.00 0.17 H new ATOM 0 HG2 LYS A 24 1.560 -11.251 5.405 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.609 -11.885 4.153 1.00 0.51 H new ATOM 0 HD2 LYS A 24 4.180 -11.017 5.596 1.00 1.24 H new ATOM 0 HD3 LYS A 24 3.951 -9.643 4.533 1.00 1.24 H new ATOM 0 HE2 LYS A 24 2.234 -8.744 6.147 1.00 2.30 H new ATOM 0 HE3 LYS A 24 2.606 -10.072 7.228 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 3.913 -8.332 7.986 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 5.007 -9.244 7.061 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 4.342 -7.816 6.426 1.00 3.29 H new ATOM 398 N SER A 25 0.943 -9.321 0.708 1.00 0.13 N ATOM 399 CA SER A 25 0.441 -9.637 -0.624 1.00 0.15 C ATOM 400 C SER A 25 1.283 -8.946 -1.694 1.00 0.14 C ATOM 401 O SER A 25 1.124 -9.202 -2.887 1.00 0.20 O ATOM 402 CB SER A 25 -1.029 -9.221 -0.754 1.00 0.20 C ATOM 403 OG SER A 25 -1.856 -10.007 0.087 1.00 0.96 O ATOM 0 H SER A 25 0.361 -8.669 1.233 1.00 0.13 H new ATOM 0 HA SER A 25 0.513 -10.715 -0.771 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.137 -8.168 -0.495 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.351 -9.329 -1.790 1.00 0.20 H new ATOM 0 HG SER A 25 -2.788 -9.722 -0.012 1.00 0.96 H new ATOM 409 N LEU A 26 2.179 -8.069 -1.250 1.00 0.12 N ATOM 410 CA LEU A 26 3.061 -7.339 -2.156 1.00 0.13 C ATOM 411 C LEU A 26 4.505 -7.792 -1.977 1.00 0.16 C ATOM 412 O LEU A 26 5.410 -7.301 -2.653 1.00 0.28 O ATOM 413 CB LEU A 26 2.958 -5.836 -1.899 1.00 0.14 C ATOM 414 CG LEU A 26 1.540 -5.271 -1.945 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.535 -3.800 -1.551 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.940 -5.462 -3.329 1.00 0.66 C ATOM 0 H LEU A 26 2.314 -7.846 -0.264 1.00 0.12 H new ATOM 0 HA LEU A 26 2.749 -7.549 -3.179 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.388 -5.619 -0.921 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.566 -5.313 -2.638 1.00 0.14 H new ATOM 0 HG LEU A 26 0.927 -5.815 -1.227 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.516 -3.416 -1.590 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.924 -3.693 -0.539 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.162 -3.236 -2.242 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.071 -5.055 -3.347 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.553 -4.944 -4.066 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.907 -6.525 -3.568 1.00 0.66 H new ATOM 428 N ARG A 27 4.710 -8.725 -1.049 1.00 0.15 N ATOM 429 CA ARG A 27 6.039 -9.257 -0.756 1.00 0.21 C ATOM 430 C ARG A 27 6.952 -8.183 -0.171 1.00 0.21 C ATOM 431 O ARG A 27 8.132 -8.429 0.067 1.00 0.35 O ATOM 432 CB ARG A 27 6.673 -9.858 -2.013 1.00 0.31 C ATOM 433 CG ARG A 27 6.291 -11.309 -2.250 1.00 1.11 C ATOM 434 CD ARG A 27 6.876 -12.215 -1.179 1.00 2.02 C ATOM 435 NE ARG A 27 8.332 -12.282 -1.255 1.00 2.71 N ATOM 436 CZ ARG A 27 9.080 -13.040 -0.459 1.00 3.55 C ATOM 437 NH1 ARG A 27 8.509 -13.801 0.465 1.00 3.89 N ATOM 438 NH2 ARG A 27 10.400 -13.039 -0.588 1.00 4.34 N ATOM 0 H ARG A 27 3.965 -9.131 -0.483 1.00 0.15 H new ATOM 0 HA ARG A 27 5.919 -10.044 -0.012 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.376 -9.266 -2.879 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.758 -9.784 -1.934 1.00 0.31 H new ATOM 0 HG2 ARG A 27 5.205 -11.405 -2.258 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.646 -11.625 -3.231 1.00 1.11 H new ATOM 0 HD2 ARG A 27 6.581 -11.851 -0.195 1.00 2.02 H new ATOM 0 HD3 ARG A 27 6.461 -13.217 -1.286 1.00 2.02 H new ATOM 0 HE ARG A 27 8.803 -11.714 -1.960 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.494 -13.806 0.566 1.00 3.89 H new ATOM 0 HH12 ARG A 27 9.085 -14.382 1.075 1.00 3.89 H new ATOM 0 HH21 ARG A 27 10.843 -12.456 -1.299 1.00 4.34 H new ATOM 0 HH22 ARG A 27 10.973 -13.621 0.023 1.00 4.34 H new ATOM 452 N LEU A 28 6.395 -6.998 0.066 1.00 0.14 N ATOM 453 CA LEU A 28 7.158 -5.885 0.626 1.00 0.14 C ATOM 454 C LEU A 28 7.011 -5.835 2.130 1.00 0.13 C ATOM 455 O LEU A 28 7.212 -4.788 2.746 1.00 0.13 O ATOM 456 CB LEU A 28 6.702 -4.566 0.008 1.00 0.16 C ATOM 457 CG LEU A 28 6.918 -4.470 -1.501 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.861 -3.583 -2.130 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.313 -3.953 -1.814 1.00 0.67 C ATOM 0 H LEU A 28 5.416 -6.783 -0.121 1.00 0.14 H new ATOM 0 HA LEU A 28 8.211 -6.040 0.389 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.642 -4.426 0.221 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.235 -3.748 0.492 1.00 0.16 H new ATOM 0 HG LEU A 28 6.826 -5.469 -1.927 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.028 -3.524 -3.205 1.00 0.67 H new ATOM 0 HD12 LEU A 28 4.873 -4.002 -1.939 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.921 -2.584 -1.699 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.445 -3.893 -2.894 1.00 0.67 H new ATOM 0 HD22 LEU A 28 8.441 -2.963 -1.377 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.055 -4.633 -1.395 1.00 0.67 H new ATOM 471 N HIS A 29 6.642 -6.964 2.722 1.00 0.13 N ATOM 472 CA HIS A 29 6.533 -7.038 4.164 1.00 0.13 C ATOM 473 C HIS A 29 7.902 -6.740 4.740 1.00 0.12 C ATOM 474 O HIS A 29 8.068 -6.496 5.933 1.00 0.13 O ATOM 475 CB HIS A 29 6.061 -8.413 4.600 1.00 0.14 C ATOM 476 CG HIS A 29 6.901 -9.532 4.069 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.667 -10.131 2.850 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.982 -10.160 4.592 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.563 -11.079 2.645 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.373 -11.117 3.686 1.00 0.24 N ATOM 0 H HIS A 29 6.417 -7.828 2.229 1.00 0.13 H new ATOM 0 HA HIS A 29 5.800 -6.316 4.524 1.00 0.13 H new ATOM 0 HB2 HIS A 29 6.057 -8.458 5.689 1.00 0.14 H new ATOM 0 HB3 HIS A 29 5.031 -8.555 4.272 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.449 -9.948 5.543 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.623 -11.715 1.774 1.00 0.20 H new ATOM 0 HE2 HIS A 29 9.162 -11.754 3.800 1.00 0.24 H new ATOM 489 N LYS A 30 8.888 -6.800 3.851 1.00 0.12 N ATOM 490 CA LYS A 30 10.261 -6.497 4.184 1.00 0.12 C ATOM 491 C LYS A 30 10.319 -5.105 4.783 1.00 0.11 C ATOM 492 O LYS A 30 11.063 -4.834 5.725 1.00 0.17 O ATOM 493 CB LYS A 30 11.104 -6.554 2.908 1.00 0.15 C ATOM 494 CG LYS A 30 10.405 -5.990 1.689 1.00 0.28 C ATOM 495 CD LYS A 30 10.582 -6.895 0.490 1.00 0.59 C ATOM 496 CE LYS A 30 11.686 -6.381 -0.396 1.00 0.65 C ATOM 497 NZ LYS A 30 11.851 -7.205 -1.627 1.00 0.72 N ATOM 0 H LYS A 30 8.748 -7.063 2.875 1.00 0.12 H new ATOM 0 HA LYS A 30 10.649 -7.218 4.903 1.00 0.12 H new ATOM 0 HB2 LYS A 30 12.031 -6.004 3.071 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.379 -7.590 2.711 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.343 -5.866 1.900 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.803 -5.001 1.463 1.00 0.28 H new ATOM 0 HD2 LYS A 30 10.814 -7.907 0.821 1.00 0.59 H new ATOM 0 HD3 LYS A 30 9.650 -6.950 -0.073 1.00 0.59 H new ATOM 0 HE2 LYS A 30 11.473 -5.350 -0.677 1.00 0.65 H new ATOM 0 HE3 LYS A 30 12.623 -6.373 0.162 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 12.621 -6.814 -2.206 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 12.080 -8.184 -1.361 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 10.967 -7.193 -2.174 1.00 0.72 H new ATOM 511 N TYR A 31 9.507 -4.233 4.205 1.00 0.10 N ATOM 512 CA TYR A 31 9.396 -2.855 4.639 1.00 0.10 C ATOM 513 C TYR A 31 8.128 -2.646 5.450 1.00 0.11 C ATOM 514 O TYR A 31 7.581 -1.546 5.495 1.00 0.16 O ATOM 515 CB TYR A 31 9.409 -1.947 3.417 1.00 0.12 C ATOM 516 CG TYR A 31 10.668 -2.104 2.601 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.920 -1.923 3.177 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.606 -2.463 1.264 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.076 -2.088 2.439 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.758 -2.634 0.519 1.00 0.20 C ATOM 521 CZ TYR A 31 12.989 -2.444 1.111 1.00 0.23 C ATOM 522 OH TYR A 31 14.136 -2.614 0.373 1.00 0.28 O ATOM 0 H TYR A 31 8.904 -4.467 3.416 1.00 0.10 H new ATOM 0 HA TYR A 31 10.242 -2.610 5.281 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.544 -2.169 2.793 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.313 -0.909 3.737 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.990 -1.649 4.219 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.644 -2.611 0.797 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.041 -1.939 2.900 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.694 -2.915 -0.522 1.00 0.20 H new ATOM 0 HH TYR A 31 13.923 -3.089 -0.457 1.00 0.28 H new ATOM 532 N SER A 32 7.666 -3.716 6.089 1.00 0.10 N ATOM 533 CA SER A 32 6.464 -3.650 6.905 1.00 0.12 C ATOM 534 C SER A 32 6.685 -2.731 8.088 1.00 0.13 C ATOM 535 O SER A 32 5.856 -1.884 8.382 1.00 0.16 O ATOM 536 CB SER A 32 6.054 -5.040 7.391 1.00 0.13 C ATOM 537 OG SER A 32 7.046 -5.599 8.234 1.00 1.30 O ATOM 0 H SER A 32 8.106 -4.636 6.056 1.00 0.10 H new ATOM 0 HA SER A 32 5.658 -3.252 6.289 1.00 0.12 H new ATOM 0 HB2 SER A 32 5.109 -4.976 7.930 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.889 -5.694 6.535 1.00 0.13 H new ATOM 0 HG SER A 32 7.703 -6.082 7.690 1.00 1.30 H new ATOM 543 N ASP A 33 7.812 -2.903 8.762 1.00 0.12 N ATOM 544 CA ASP A 33 8.146 -2.087 9.909 1.00 0.14 C ATOM 545 C ASP A 33 8.235 -0.611 9.527 1.00 0.14 C ATOM 546 O ASP A 33 7.826 0.264 10.289 1.00 0.20 O ATOM 547 CB ASP A 33 9.474 -2.559 10.487 1.00 0.17 C ATOM 548 CG ASP A 33 9.386 -3.951 11.082 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.601 -4.930 10.337 1.00 2.21 O ATOM 550 OD2 ASP A 33 9.105 -4.062 12.294 1.00 1.00 O ATOM 0 H ASP A 33 8.512 -3.607 8.529 1.00 0.12 H new ATOM 0 HA ASP A 33 7.359 -2.191 10.656 1.00 0.14 H new ATOM 0 HB2 ASP A 33 10.232 -2.550 9.703 1.00 0.17 H new ATOM 0 HB3 ASP A 33 9.802 -1.859 11.256 1.00 0.17 H new ATOM 555 N ALA A 34 8.774 -0.345 8.339 1.00 0.12 N ATOM 556 CA ALA A 34 8.931 1.022 7.851 1.00 0.13 C ATOM 557 C ALA A 34 7.626 1.590 7.307 1.00 0.12 C ATOM 558 O ALA A 34 7.423 2.804 7.298 1.00 0.15 O ATOM 559 CB ALA A 34 10.010 1.075 6.780 1.00 0.15 C ATOM 0 H ALA A 34 9.110 -1.061 7.695 1.00 0.12 H new ATOM 0 HA ALA A 34 9.228 1.639 8.699 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.119 2.099 6.423 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.957 0.735 7.200 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.729 0.429 5.948 1.00 0.15 H new ATOM 565 N LEU A 35 6.739 0.711 6.867 1.00 0.10 N ATOM 566 CA LEU A 35 5.469 1.135 6.292 1.00 0.09 C ATOM 567 C LEU A 35 4.290 0.885 7.235 1.00 0.09 C ATOM 568 O LEU A 35 3.169 1.307 6.953 1.00 0.12 O ATOM 569 CB LEU A 35 5.242 0.400 4.969 1.00 0.09 C ATOM 570 CG LEU A 35 5.835 1.059 3.710 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.942 2.064 4.041 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.346 -0.011 2.744 1.00 0.14 C ATOM 0 H LEU A 35 6.874 -0.300 6.896 1.00 0.10 H new ATOM 0 HA LEU A 35 5.523 2.211 6.124 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.660 -0.603 5.059 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.168 0.286 4.821 1.00 0.09 H new ATOM 0 HG LEU A 35 5.034 1.621 3.230 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.326 2.500 3.118 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.539 2.854 4.675 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.751 1.555 4.566 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.763 0.468 1.858 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.119 -0.604 3.233 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.521 -0.661 2.451 1.00 0.14 H new ATOM 584 N SER A 36 4.541 0.216 8.355 1.00 0.10 N ATOM 585 CA SER A 36 3.480 -0.086 9.313 1.00 0.10 C ATOM 586 C SER A 36 3.040 1.168 10.054 1.00 0.10 C ATOM 587 O SER A 36 1.845 1.411 10.226 1.00 0.11 O ATOM 588 CB SER A 36 3.941 -1.142 10.321 1.00 0.13 C ATOM 589 OG SER A 36 2.916 -1.439 11.253 1.00 0.95 O ATOM 0 H SER A 36 5.464 -0.126 8.622 1.00 0.10 H new ATOM 0 HA SER A 36 2.632 -0.478 8.751 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.232 -2.050 9.793 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.825 -0.784 10.849 1.00 0.13 H new ATOM 0 HG SER A 36 3.235 -2.117 11.885 1.00 0.95 H new ATOM 595 N GLY A 37 4.015 1.960 10.495 1.00 0.12 N ATOM 596 CA GLY A 37 3.711 3.184 11.212 1.00 0.13 C ATOM 597 C GLY A 37 2.812 4.105 10.415 1.00 0.12 C ATOM 598 O GLY A 37 2.283 5.083 10.944 1.00 0.15 O ATOM 0 H GLY A 37 5.010 1.774 10.368 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.229 2.939 12.159 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.639 3.703 11.452 1.00 0.13 H new ATOM 602 N THR A 38 2.643 3.790 9.135 1.00 0.08 N ATOM 603 CA THR A 38 1.804 4.585 8.255 1.00 0.08 C ATOM 604 C THR A 38 0.581 3.787 7.798 1.00 0.07 C ATOM 605 O THR A 38 0.710 2.643 7.364 1.00 0.08 O ATOM 606 CB THR A 38 2.594 5.055 7.016 1.00 0.09 C ATOM 607 OG1 THR A 38 3.759 5.775 7.427 1.00 0.11 O ATOM 608 CG2 THR A 38 1.737 5.947 6.132 1.00 0.11 C ATOM 0 H THR A 38 3.080 2.985 8.685 1.00 0.08 H new ATOM 0 HA THR A 38 1.473 5.456 8.820 1.00 0.08 H new ATOM 0 HB THR A 38 2.887 4.174 6.445 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.893 6.545 6.836 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.317 6.265 5.265 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.859 5.393 5.798 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.420 6.823 6.698 1.00 0.11 H new ATOM 616 N PRO A 39 -0.628 4.377 7.900 1.00 0.07 N ATOM 617 CA PRO A 39 -1.871 3.715 7.478 1.00 0.08 C ATOM 618 C PRO A 39 -1.938 3.585 5.968 1.00 0.07 C ATOM 619 O PRO A 39 -1.054 4.076 5.274 1.00 0.07 O ATOM 620 CB PRO A 39 -2.959 4.669 7.966 1.00 0.09 C ATOM 621 CG PRO A 39 -2.291 5.993 7.956 1.00 0.09 C ATOM 622 CD PRO A 39 -0.888 5.733 8.418 1.00 0.09 C ATOM 0 HA PRO A 39 -1.962 2.704 7.875 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.829 4.654 7.310 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.307 4.403 8.964 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.301 6.431 6.958 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.799 6.695 8.617 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.186 6.463 8.015 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.804 5.776 9.504 1.00 0.09 H new ATOM 630 N TRP A 40 -2.971 2.926 5.451 1.00 0.07 N ATOM 631 CA TRP A 40 -3.104 2.788 4.008 1.00 0.07 C ATOM 632 C TRP A 40 -3.403 4.139 3.380 1.00 0.07 C ATOM 633 O TRP A 40 -2.737 4.545 2.437 1.00 0.07 O ATOM 634 CB TRP A 40 -4.195 1.783 3.625 1.00 0.08 C ATOM 635 CG TRP A 40 -5.583 2.193 4.024 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.157 2.074 5.259 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.578 2.785 3.176 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.450 2.542 5.225 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.726 2.994 3.964 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.610 3.163 1.828 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.888 3.560 3.452 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.768 3.727 1.323 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.891 3.923 2.135 1.00 0.21 C ATOM 0 H TRP A 40 -3.713 2.488 5.998 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.156 2.408 3.628 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.170 1.632 2.546 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.966 0.823 4.087 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.667 1.672 6.133 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.098 2.551 6.013 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.747 3.017 1.195 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.758 3.708 4.074 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.806 4.021 0.284 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.778 4.370 1.712 1.00 0.21 H new ATOM 654 N ILE A 41 -4.387 4.845 3.935 1.00 0.08 N ATOM 655 CA ILE A 41 -4.784 6.151 3.421 1.00 0.09 C ATOM 656 C ILE A 41 -3.577 7.058 3.223 1.00 0.07 C ATOM 657 O ILE A 41 -3.597 7.959 2.382 1.00 0.08 O ATOM 658 CB ILE A 41 -5.793 6.842 4.361 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.547 7.941 3.611 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.085 7.415 5.582 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.046 7.740 3.606 1.00 0.45 C ATOM 0 H ILE A 41 -4.924 4.531 4.743 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.261 5.979 2.456 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.513 6.098 4.704 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.318 8.905 4.066 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.189 7.981 2.582 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.814 7.898 6.232 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.590 6.611 6.126 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.343 8.147 5.262 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.520 8.554 3.058 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.284 6.791 3.125 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.415 7.730 4.632 1.00 0.45 H new ATOM 673 N GLU A 42 -2.528 6.818 4.000 1.00 0.07 N ATOM 674 CA GLU A 42 -1.311 7.608 3.895 1.00 0.06 C ATOM 675 C GLU A 42 -0.295 6.863 3.041 1.00 0.06 C ATOM 676 O GLU A 42 0.464 7.467 2.284 1.00 0.07 O ATOM 677 CB GLU A 42 -0.739 7.909 5.279 1.00 0.07 C ATOM 678 CG GLU A 42 -1.542 8.942 6.055 1.00 0.09 C ATOM 679 CD GLU A 42 -0.841 9.399 7.318 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.003 10.322 7.232 1.00 1.02 O ATOM 681 OE2 GLU A 42 -1.130 8.837 8.396 1.00 2.15 O ATOM 0 H GLU A 42 -2.497 6.084 4.708 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.545 8.560 3.419 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.697 6.985 5.855 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.286 8.263 5.171 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -1.730 9.805 5.416 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -2.513 8.521 6.315 1.00 0.09 H new ATOM 688 N LEU A 43 -0.302 5.541 3.173 1.00 0.06 N ATOM 689 CA LEU A 43 0.583 4.677 2.402 1.00 0.07 C ATOM 690 C LEU A 43 0.363 4.937 0.925 1.00 0.08 C ATOM 691 O LEU A 43 1.271 5.329 0.196 1.00 0.10 O ATOM 692 CB LEU A 43 0.268 3.212 2.704 1.00 0.08 C ATOM 693 CG LEU A 43 1.432 2.364 3.225 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.596 2.390 2.252 1.00 0.11 C ATOM 695 CD2 LEU A 43 1.873 2.843 4.596 1.00 0.09 C ATOM 0 H LEU A 43 -0.918 5.041 3.814 1.00 0.06 H new ATOM 0 HA LEU A 43 1.619 4.887 2.670 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.536 3.179 3.439 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.113 2.749 1.794 1.00 0.08 H new ATOM 0 HG LEU A 43 1.086 1.334 3.316 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.411 1.781 2.643 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.275 1.992 1.290 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.940 3.416 2.123 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.701 2.227 4.948 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.196 3.882 4.532 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.040 2.764 5.294 1.00 0.09 H new ATOM 707 N ILE A 44 -0.871 4.701 0.507 1.00 0.09 N ATOM 708 CA ILE A 44 -1.291 4.907 -0.862 1.00 0.10 C ATOM 709 C ILE A 44 -1.052 6.347 -1.301 1.00 0.10 C ATOM 710 O ILE A 44 -1.083 6.659 -2.490 1.00 0.15 O ATOM 711 CB ILE A 44 -2.782 4.564 -1.007 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.640 5.540 -0.195 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.018 3.140 -0.536 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.120 5.454 -0.494 1.00 0.20 C ATOM 0 H ILE A 44 -1.613 4.358 1.118 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.699 4.251 -1.500 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.068 4.651 -2.055 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.483 5.349 0.867 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.299 6.557 -0.390 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.075 2.894 -0.638 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.426 2.454 -1.141 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.723 3.049 0.509 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.658 6.176 0.121 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.292 5.675 -1.547 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.478 4.449 -0.271 1.00 0.20 H new ATOM 726 N TYR A 45 -0.812 7.222 -0.329 1.00 0.08 N ATOM 727 CA TYR A 45 -0.572 8.631 -0.616 1.00 0.08 C ATOM 728 C TYR A 45 0.919 8.965 -0.592 1.00 0.08 C ATOM 729 O TYR A 45 1.321 10.049 -1.015 1.00 0.10 O ATOM 730 CB TYR A 45 -1.333 9.512 0.380 1.00 0.10 C ATOM 731 CG TYR A 45 -2.760 9.836 -0.031 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.479 9.010 -0.896 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.391 10.973 0.459 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.782 9.314 -1.254 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.691 11.281 0.103 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.380 10.449 -0.752 1.00 0.16 C ATOM 737 OH TYR A 45 -6.675 10.754 -1.105 1.00 0.19 O ATOM 0 H TYR A 45 -0.779 6.980 0.661 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.939 8.833 -1.622 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.351 9.012 1.348 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.785 10.445 0.513 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -3.012 8.120 -1.292 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.856 11.628 1.130 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.326 8.664 -1.923 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.164 12.170 0.493 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.947 11.586 -0.664 1.00 0.19 H new ATOM 747 N LEU A 46 1.739 8.037 -0.094 1.00 0.08 N ATOM 748 CA LEU A 46 3.183 8.251 -0.045 1.00 0.09 C ATOM 749 C LEU A 46 3.748 8.367 -1.452 1.00 0.09 C ATOM 750 O LEU A 46 3.018 8.582 -2.420 1.00 0.11 O ATOM 751 CB LEU A 46 3.902 7.094 0.660 1.00 0.10 C ATOM 752 CG LEU A 46 3.451 6.770 2.085 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.396 5.750 2.707 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.392 8.024 2.942 1.00 0.12 C ATOM 0 H LEU A 46 1.430 7.139 0.277 1.00 0.08 H new ATOM 0 HA LEU A 46 3.349 9.173 0.513 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.780 6.197 0.053 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.968 7.320 0.684 1.00 0.10 H new ATOM 0 HG LEU A 46 2.447 6.349 2.039 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.070 5.523 3.722 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.389 4.837 2.111 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.406 6.159 2.734 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.068 7.761 3.949 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.380 8.481 2.986 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.685 8.730 2.506 1.00 0.12 H new ATOM 766 N ASP A 47 5.060 8.218 -1.552 1.00 0.09 N ATOM 767 CA ASP A 47 5.745 8.279 -2.826 1.00 0.10 C ATOM 768 C ASP A 47 7.066 7.535 -2.748 1.00 0.10 C ATOM 769 O ASP A 47 7.485 7.108 -1.673 1.00 0.16 O ATOM 770 CB ASP A 47 5.992 9.731 -3.231 1.00 0.11 C ATOM 771 CG ASP A 47 6.194 10.641 -2.034 1.00 0.73 C ATOM 772 OD1 ASP A 47 5.184 11.131 -1.485 1.00 1.31 O ATOM 773 OD2 ASP A 47 7.360 10.865 -1.647 1.00 0.96 O ATOM 0 H ASP A 47 5.674 8.052 -0.754 1.00 0.09 H new ATOM 0 HA ASP A 47 5.114 7.806 -3.579 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.871 9.781 -3.874 1.00 0.11 H new ATOM 0 HB3 ASP A 47 5.147 10.090 -3.818 1.00 0.11 H new ATOM 778 N ASP A 48 7.708 7.378 -3.895 1.00 0.12 N ATOM 779 CA ASP A 48 8.997 6.702 -3.963 1.00 0.14 C ATOM 780 C ASP A 48 9.922 7.247 -2.884 1.00 0.14 C ATOM 781 O ASP A 48 10.518 6.495 -2.116 1.00 0.21 O ATOM 782 CB ASP A 48 9.620 6.907 -5.347 1.00 0.17 C ATOM 783 CG ASP A 48 11.136 6.912 -5.315 1.00 1.06 C ATOM 784 OD1 ASP A 48 11.720 7.984 -5.063 1.00 1.73 O ATOM 785 OD2 ASP A 48 11.738 5.840 -5.536 1.00 1.65 O ATOM 0 H ASP A 48 7.358 7.710 -4.794 1.00 0.12 H new ATOM 0 HA ASP A 48 8.852 5.634 -3.798 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.278 6.116 -6.015 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.267 7.851 -5.763 1.00 0.17 H new ATOM 790 N GLU A 49 10.009 8.566 -2.823 1.00 0.14 N ATOM 791 CA GLU A 49 10.856 9.237 -1.838 1.00 0.16 C ATOM 792 C GLU A 49 10.500 8.825 -0.412 1.00 0.13 C ATOM 793 O GLU A 49 11.326 8.254 0.296 1.00 0.19 O ATOM 794 CB GLU A 49 10.744 10.755 -1.967 1.00 0.23 C ATOM 795 CG GLU A 49 11.581 11.514 -0.945 1.00 0.37 C ATOM 796 CD GLU A 49 11.420 13.018 -1.063 1.00 0.46 C ATOM 797 OE1 GLU A 49 12.167 13.636 -1.849 1.00 0.51 O ATOM 798 OE2 GLU A 49 10.546 13.576 -0.367 1.00 0.52 O ATOM 0 H GLU A 49 9.504 9.198 -3.444 1.00 0.14 H new ATOM 0 HA GLU A 49 11.882 8.930 -2.042 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.053 11.050 -2.970 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.699 11.045 -1.857 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.296 11.199 0.059 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.631 11.253 -1.075 1.00 0.37 H new ATOM 805 N THR A 50 9.263 9.113 -0.001 1.00 0.11 N ATOM 806 CA THR A 50 8.808 8.799 1.351 1.00 0.10 C ATOM 807 C THR A 50 9.154 7.371 1.740 1.00 0.09 C ATOM 808 O THR A 50 9.721 7.133 2.803 1.00 0.13 O ATOM 809 CB THR A 50 7.292 9.001 1.503 1.00 0.12 C ATOM 810 OG1 THR A 50 6.941 10.353 1.185 1.00 0.19 O ATOM 811 CG2 THR A 50 6.854 8.678 2.923 1.00 0.14 C ATOM 0 H THR A 50 8.560 9.563 -0.587 1.00 0.11 H new ATOM 0 HA THR A 50 9.328 9.489 2.015 1.00 0.10 H new ATOM 0 HB THR A 50 6.783 8.327 0.814 1.00 0.12 H new ATOM 0 HG1 THR A 50 7.163 10.537 0.248 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.778 8.826 3.014 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.098 7.641 3.152 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.371 9.335 3.622 1.00 0.14 H new ATOM 819 N LEU A 51 8.816 6.429 0.870 1.00 0.09 N ATOM 820 CA LEU A 51 9.089 5.020 1.119 1.00 0.11 C ATOM 821 C LEU A 51 10.544 4.823 1.519 1.00 0.11 C ATOM 822 O LEU A 51 10.849 4.033 2.411 1.00 0.14 O ATOM 823 CB LEU A 51 8.766 4.214 -0.134 1.00 0.12 C ATOM 824 CG LEU A 51 7.273 3.980 -0.371 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.029 3.489 -1.786 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.728 2.986 0.643 1.00 0.74 C ATOM 0 H LEU A 51 8.350 6.616 -0.018 1.00 0.09 H new ATOM 0 HA LEU A 51 8.463 4.672 1.940 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.182 4.730 -1.000 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.266 3.248 -0.068 1.00 0.12 H new ATOM 0 HG LEU A 51 6.748 4.927 -0.244 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.961 3.328 -1.936 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.387 4.234 -2.496 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.563 2.552 -1.943 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.665 2.829 0.463 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.257 2.038 0.544 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.871 3.378 1.650 1.00 0.74 H new ATOM 838 N GLU A 52 11.438 5.552 0.862 1.00 0.10 N ATOM 839 CA GLU A 52 12.858 5.477 1.177 1.00 0.13 C ATOM 840 C GLU A 52 13.088 6.043 2.564 1.00 0.13 C ATOM 841 O GLU A 52 13.850 5.502 3.365 1.00 0.16 O ATOM 842 CB GLU A 52 13.669 6.276 0.162 1.00 0.16 C ATOM 843 CG GLU A 52 15.133 5.871 0.102 1.00 0.33 C ATOM 844 CD GLU A 52 15.932 6.703 -0.883 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.221 7.876 -0.569 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.272 6.179 -1.964 1.00 0.52 O ATOM 0 H GLU A 52 11.205 6.200 0.110 1.00 0.10 H new ATOM 0 HA GLU A 52 13.178 4.436 1.140 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.225 6.151 -0.826 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.603 7.336 0.409 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.573 5.968 1.094 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.203 4.819 -0.176 1.00 0.33 H new ATOM 853 N LYS A 53 12.408 7.147 2.827 1.00 0.13 N ATOM 854 CA LYS A 53 12.498 7.824 4.114 1.00 0.16 C ATOM 855 C LYS A 53 12.123 6.871 5.249 1.00 0.18 C ATOM 856 O LYS A 53 12.640 6.982 6.361 1.00 0.25 O ATOM 857 CB LYS A 53 11.589 9.053 4.118 1.00 0.17 C ATOM 858 CG LYS A 53 11.747 9.909 2.872 1.00 0.42 C ATOM 859 CD LYS A 53 12.957 10.820 2.966 1.00 0.60 C ATOM 860 CE LYS A 53 12.690 11.978 3.906 1.00 1.54 C ATOM 861 NZ LYS A 53 12.116 13.153 3.195 1.00 2.19 N ATOM 0 H LYS A 53 11.781 7.598 2.160 1.00 0.13 H new ATOM 0 HA LYS A 53 13.527 8.148 4.272 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.551 8.731 4.202 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.808 9.658 4.998 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.844 9.265 1.998 1.00 0.42 H new ATOM 0 HG3 LYS A 53 10.849 10.510 2.727 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.818 10.252 3.318 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.209 11.200 1.976 1.00 0.60 H new ATOM 0 HE2 LYS A 53 12.004 11.658 4.690 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.619 12.269 4.396 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 11.949 13.922 3.875 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 12.782 13.476 2.464 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 11.216 12.883 2.749 1.00 2.19 H new ATOM 875 N LYS A 54 11.217 5.933 4.960 1.00 0.13 N ATOM 876 CA LYS A 54 10.787 4.950 5.947 1.00 0.16 C ATOM 877 C LYS A 54 11.840 3.862 6.089 1.00 0.17 C ATOM 878 O LYS A 54 12.384 3.629 7.168 1.00 0.21 O ATOM 879 CB LYS A 54 9.465 4.313 5.519 1.00 0.16 C ATOM 880 CG LYS A 54 8.495 5.309 4.918 1.00 0.25 C ATOM 881 CD LYS A 54 8.046 6.315 5.957 1.00 0.39 C ATOM 882 CE LYS A 54 6.632 6.024 6.408 1.00 0.30 C ATOM 883 NZ LYS A 54 6.562 5.771 7.874 1.00 1.20 N ATOM 0 H LYS A 54 10.769 5.837 4.049 1.00 0.13 H new ATOM 0 HA LYS A 54 10.651 5.457 6.903 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.666 3.526 4.792 1.00 0.16 H new ATOM 0 HB3 LYS A 54 9.000 3.838 6.383 1.00 0.16 H new ATOM 0 HG2 LYS A 54 8.969 5.827 4.084 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.629 4.783 4.516 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.719 6.285 6.814 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.101 7.322 5.543 1.00 0.39 H new ATOM 0 HE2 LYS A 54 5.988 6.866 6.153 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.250 5.156 5.870 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.566 5.727 8.171 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 7.029 4.868 8.093 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 7.041 6.541 8.382 1.00 1.20 H new ATOM 897 N GLY A 55 12.113 3.204 4.970 1.00 0.19 N ATOM 898 CA GLY A 55 13.093 2.139 4.935 1.00 0.23 C ATOM 899 C GLY A 55 13.142 1.462 3.581 1.00 0.25 C ATOM 900 O GLY A 55 14.076 0.716 3.286 1.00 0.38 O ATOM 0 H GLY A 55 11.665 3.394 4.074 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.077 2.543 5.175 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.855 1.401 5.702 1.00 0.23 H new ATOM 904 N VAL A 56 12.122 1.714 2.764 1.00 0.17 N ATOM 905 CA VAL A 56 12.059 1.163 1.419 1.00 0.21 C ATOM 906 C VAL A 56 13.115 1.842 0.553 1.00 0.40 C ATOM 907 O VAL A 56 12.811 2.716 -0.258 1.00 0.89 O ATOM 908 CB VAL A 56 10.662 1.373 0.798 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.454 0.458 -0.398 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.572 1.154 1.839 1.00 0.17 C ATOM 0 H VAL A 56 11.326 2.300 3.015 1.00 0.17 H new ATOM 0 HA VAL A 56 12.248 0.091 1.470 1.00 0.21 H new ATOM 0 HB VAL A 56 10.600 2.404 0.448 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.462 0.626 -0.817 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.208 0.672 -1.155 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.542 -0.581 -0.081 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.595 1.307 1.381 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.637 0.137 2.225 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.703 1.862 2.658 1.00 0.17 H new ATOM 920 N LEU A 57 14.359 1.423 0.742 1.00 0.21 N ATOM 921 CA LEU A 57 15.501 1.997 0.039 1.00 0.26 C ATOM 922 C LEU A 57 15.717 1.369 -1.336 1.00 0.36 C ATOM 923 O LEU A 57 16.676 1.705 -2.032 1.00 0.83 O ATOM 924 CB LEU A 57 16.746 1.807 0.902 1.00 0.34 C ATOM 925 CG LEU A 57 16.965 2.842 2.021 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.654 3.261 2.675 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.887 2.264 3.075 1.00 0.55 C ATOM 0 H LEU A 57 14.606 0.674 1.388 1.00 0.21 H new ATOM 0 HA LEU A 57 15.303 3.056 -0.128 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.700 0.817 1.356 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.619 1.818 0.250 1.00 0.34 H new ATOM 0 HG LEU A 57 17.413 3.727 1.568 1.00 0.37 H new ATOM 0 HD11 LEU A 57 15.855 3.992 3.458 1.00 0.24 H new ATOM 0 HD12 LEU A 57 14.999 3.704 1.925 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.169 2.387 3.110 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.041 2.998 3.866 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.439 1.364 3.497 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.846 2.013 2.622 1.00 0.55 H new ATOM 939 N ALA A 58 14.833 0.462 -1.725 1.00 0.21 N ATOM 940 CA ALA A 58 14.947 -0.198 -3.019 1.00 0.17 C ATOM 941 C ALA A 58 14.189 0.552 -4.092 1.00 0.13 C ATOM 942 O ALA A 58 12.961 0.577 -4.088 1.00 0.12 O ATOM 943 CB ALA A 58 14.432 -1.622 -2.939 1.00 0.18 C ATOM 0 H ALA A 58 14.032 0.167 -1.167 1.00 0.21 H new ATOM 0 HA ALA A 58 16.004 -0.209 -3.285 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.525 -2.098 -3.915 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.015 -2.179 -2.206 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.384 -1.614 -2.638 1.00 0.18 H new ATOM 949 N LEU A 59 14.927 1.167 -5.009 1.00 0.14 N ATOM 950 CA LEU A 59 14.306 1.882 -6.111 1.00 0.13 C ATOM 951 C LEU A 59 13.287 0.969 -6.765 1.00 0.12 C ATOM 952 O LEU A 59 12.297 1.419 -7.336 1.00 0.14 O ATOM 953 CB LEU A 59 15.358 2.315 -7.137 1.00 0.15 C ATOM 954 CG LEU A 59 16.001 3.680 -6.887 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.974 4.783 -7.061 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.621 3.741 -5.498 1.00 0.27 C ATOM 0 H LEU A 59 15.947 1.184 -5.010 1.00 0.14 H new ATOM 0 HA LEU A 59 13.817 2.779 -5.732 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.145 1.562 -7.164 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.894 2.327 -8.123 1.00 0.15 H new ATOM 0 HG LEU A 59 16.796 3.825 -7.618 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.444 5.750 -6.880 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.579 4.756 -8.077 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.160 4.637 -6.351 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.072 4.721 -5.344 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.849 3.575 -4.747 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.387 2.971 -5.407 1.00 0.27 H new ATOM 968 N GLY A 60 13.559 -0.328 -6.674 1.00 0.12 N ATOM 969 CA GLY A 60 12.669 -1.315 -7.232 1.00 0.12 C ATOM 970 C GLY A 60 11.426 -1.522 -6.389 1.00 0.11 C ATOM 971 O GLY A 60 10.330 -1.656 -6.919 1.00 0.14 O ATOM 0 H GLY A 60 14.388 -0.710 -6.219 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.376 -1.008 -8.236 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.199 -2.262 -7.330 1.00 0.12 H new ATOM 975 N ALA A 61 11.606 -1.556 -5.069 1.00 0.10 N ATOM 976 CA ALA A 61 10.505 -1.768 -4.138 1.00 0.10 C ATOM 977 C ALA A 61 9.600 -0.546 -3.985 1.00 0.11 C ATOM 978 O ALA A 61 8.383 -0.649 -4.138 1.00 0.16 O ATOM 979 CB ALA A 61 11.054 -2.177 -2.781 1.00 0.13 C ATOM 0 H ALA A 61 12.514 -1.438 -4.620 1.00 0.10 H new ATOM 0 HA ALA A 61 9.888 -2.564 -4.555 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.228 -2.335 -2.087 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.624 -3.100 -2.882 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.704 -1.390 -2.399 1.00 0.13 H new ATOM 985 N ARG A 62 10.191 0.607 -3.678 1.00 0.14 N ATOM 986 CA ARG A 62 9.413 1.821 -3.465 1.00 0.16 C ATOM 987 C ARG A 62 8.708 2.291 -4.724 1.00 0.11 C ATOM 988 O ARG A 62 7.481 2.390 -4.749 1.00 0.11 O ATOM 989 CB ARG A 62 10.290 2.935 -2.891 1.00 0.23 C ATOM 990 CG ARG A 62 11.466 3.351 -3.760 1.00 0.32 C ATOM 991 CD ARG A 62 12.421 4.238 -2.974 1.00 0.23 C ATOM 992 NE ARG A 62 13.483 4.797 -3.804 1.00 0.21 N ATOM 993 CZ ARG A 62 13.901 6.060 -3.713 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.304 6.900 -2.879 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.907 6.486 -4.462 1.00 0.48 N ATOM 0 H ARG A 62 11.199 0.724 -3.572 1.00 0.14 H new ATOM 0 HA ARG A 62 8.637 1.573 -2.740 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.665 3.810 -2.711 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.672 2.611 -1.923 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.993 2.466 -4.117 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.105 3.884 -4.640 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.859 5.051 -2.514 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.865 3.659 -2.164 1.00 0.23 H new ATOM 0 HE ARG A 62 13.930 4.189 -4.491 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.523 6.581 -2.305 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.625 7.866 -2.811 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.365 5.847 -5.112 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.223 7.453 -4.389 1.00 0.48 H new ATOM 1009 N ARG A 63 9.476 2.599 -5.756 1.00 0.12 N ATOM 1010 CA ARG A 63 8.897 3.051 -7.014 1.00 0.13 C ATOM 1011 C ARG A 63 7.791 2.090 -7.445 1.00 0.12 C ATOM 1012 O ARG A 63 6.880 2.459 -8.185 1.00 0.14 O ATOM 1013 CB ARG A 63 9.959 3.138 -8.108 1.00 0.16 C ATOM 1014 CG ARG A 63 11.061 4.141 -7.816 1.00 0.79 C ATOM 1015 CD ARG A 63 12.073 4.202 -8.949 1.00 0.75 C ATOM 1016 NE ARG A 63 11.474 4.672 -10.194 1.00 1.33 N ATOM 1017 CZ ARG A 63 12.017 4.479 -11.393 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.163 3.821 -11.507 1.00 1.33 N ATOM 1019 NH2 ARG A 63 11.414 4.945 -12.479 1.00 2.47 N ATOM 0 H ARG A 63 10.495 2.546 -5.750 1.00 0.12 H new ATOM 0 HA ARG A 63 8.481 4.047 -6.862 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.405 2.153 -8.247 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.477 3.406 -9.048 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.625 5.128 -7.663 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.566 3.868 -6.889 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.892 4.864 -8.668 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.503 3.212 -9.105 1.00 0.75 H new ATOM 0 HE ARG A 63 10.589 5.177 -10.142 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.630 3.462 -10.674 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.577 3.674 -12.427 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.533 5.452 -12.395 1.00 2.47 H new ATOM 0 HH22 ARG A 63 11.832 4.796 -13.398 1.00 2.47 H new ATOM 1033 N LYS A 64 7.890 0.848 -6.967 1.00 0.10 N ATOM 1034 CA LYS A 64 6.908 -0.184 -7.280 1.00 0.13 C ATOM 1035 C LYS A 64 5.658 -0.024 -6.426 1.00 0.11 C ATOM 1036 O LYS A 64 4.541 -0.203 -6.909 1.00 0.12 O ATOM 1037 CB LYS A 64 7.515 -1.568 -7.054 1.00 0.18 C ATOM 1038 CG LYS A 64 6.570 -2.718 -7.360 1.00 0.76 C ATOM 1039 CD LYS A 64 6.292 -2.833 -8.850 1.00 1.33 C ATOM 1040 CE LYS A 64 5.428 -4.045 -9.162 1.00 1.80 C ATOM 1041 NZ LYS A 64 6.074 -5.315 -8.729 1.00 2.52 N ATOM 0 H LYS A 64 8.646 0.534 -6.358 1.00 0.10 H new ATOM 0 HA LYS A 64 6.625 -0.078 -8.327 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.405 -1.668 -7.675 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.840 -1.645 -6.016 1.00 0.18 H new ATOM 0 HG2 LYS A 64 7.002 -3.651 -6.997 1.00 0.76 H new ATOM 0 HG3 LYS A 64 5.632 -2.571 -6.825 1.00 0.76 H new ATOM 0 HD2 LYS A 64 5.793 -1.929 -9.199 1.00 1.33 H new ATOM 0 HD3 LYS A 64 7.234 -2.907 -9.393 1.00 1.33 H new ATOM 0 HE2 LYS A 64 4.464 -3.941 -8.665 1.00 1.80 H new ATOM 0 HE3 LYS A 64 5.232 -4.085 -10.233 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 5.624 -6.117 -9.215 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 7.086 -5.289 -8.969 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 5.965 -5.427 -7.701 1.00 2.52 H new ATOM 1055 N LEU A 65 5.852 0.298 -5.150 1.00 0.11 N ATOM 1056 CA LEU A 65 4.734 0.494 -4.238 1.00 0.11 C ATOM 1057 C LEU A 65 3.806 1.578 -4.759 1.00 0.08 C ATOM 1058 O LEU A 65 2.618 1.601 -4.440 1.00 0.09 O ATOM 1059 CB LEU A 65 5.238 0.869 -2.850 1.00 0.13 C ATOM 1060 CG LEU A 65 5.405 -0.309 -1.899 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.729 -0.219 -1.164 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.243 -0.374 -0.920 1.00 0.23 C ATOM 0 H LEU A 65 6.771 0.428 -4.727 1.00 0.11 H new ATOM 0 HA LEU A 65 4.180 -0.443 -4.172 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.197 1.377 -2.951 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.544 1.583 -2.406 1.00 0.13 H new ATOM 0 HG LEU A 65 5.406 -1.228 -2.485 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.829 -1.069 -0.490 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.547 -0.229 -1.885 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.764 0.706 -0.589 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.380 -1.222 -0.249 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.205 0.547 -0.338 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.310 -0.494 -1.470 1.00 0.23 H new ATOM 1074 N LEU A 66 4.362 2.475 -5.564 1.00 0.08 N ATOM 1075 CA LEU A 66 3.590 3.563 -6.142 1.00 0.09 C ATOM 1076 C LEU A 66 2.485 3.013 -7.031 1.00 0.11 C ATOM 1077 O LEU A 66 1.488 3.687 -7.290 1.00 0.14 O ATOM 1078 CB LEU A 66 4.504 4.499 -6.932 1.00 0.11 C ATOM 1079 CG LEU A 66 5.197 5.573 -6.092 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.579 5.881 -6.646 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.350 6.835 -6.038 1.00 0.14 C ATOM 0 H LEU A 66 5.347 2.469 -5.831 1.00 0.08 H new ATOM 0 HA LEU A 66 3.129 4.133 -5.336 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.265 3.903 -7.435 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.917 4.988 -7.710 1.00 0.11 H new ATOM 0 HG LEU A 66 5.314 5.192 -5.078 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.054 6.647 -6.034 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.187 4.976 -6.631 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.488 6.240 -7.671 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.858 7.589 -5.436 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.201 7.217 -7.048 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.383 6.605 -5.591 1.00 0.14 H new ATOM 1093 N LYS A 67 2.668 1.781 -7.499 1.00 0.12 N ATOM 1094 CA LYS A 67 1.683 1.133 -8.339 1.00 0.16 C ATOM 1095 C LYS A 67 0.550 0.616 -7.466 1.00 0.14 C ATOM 1096 O LYS A 67 -0.622 0.674 -7.838 1.00 0.16 O ATOM 1097 CB LYS A 67 2.332 -0.008 -9.120 1.00 0.22 C ATOM 1098 CG LYS A 67 1.710 -0.248 -10.488 1.00 0.84 C ATOM 1099 CD LYS A 67 0.462 -1.111 -10.404 1.00 1.26 C ATOM 1100 CE LYS A 67 0.813 -2.585 -10.320 1.00 1.56 C ATOM 1101 NZ LYS A 67 -0.392 -3.452 -10.423 1.00 2.20 N ATOM 0 H LYS A 67 3.495 1.215 -7.306 1.00 0.12 H new ATOM 0 HA LYS A 67 1.280 1.847 -9.057 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.393 0.208 -9.246 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.261 -0.924 -8.533 1.00 0.22 H new ATOM 0 HG2 LYS A 67 1.458 0.709 -10.945 1.00 0.84 H new ATOM 0 HG3 LYS A 67 2.440 -0.729 -11.139 1.00 0.84 H new ATOM 0 HD2 LYS A 67 -0.122 -0.824 -9.530 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.164 -0.934 -11.278 1.00 1.26 H new ATOM 0 HE2 LYS A 67 1.511 -2.838 -11.119 1.00 1.56 H new ATOM 0 HE3 LYS A 67 1.323 -2.783 -9.377 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 -0.101 -4.428 -10.633 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 -0.912 -3.432 -9.523 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 -1.007 -3.103 -11.186 1.00 2.20 H new ATOM 1115 N ALA A 68 0.924 0.107 -6.293 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.044 -0.411 -5.335 1.00 0.14 C ATOM 1117 C ALA A 68 -0.802 0.732 -4.674 1.00 0.13 C ATOM 1118 O ALA A 68 -1.935 0.568 -4.232 1.00 0.23 O ATOM 1119 CB ALA A 68 0.651 -1.267 -4.282 1.00 0.17 C ATOM 0 H ALA A 68 1.894 0.043 -5.985 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.758 -1.036 -5.871 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.088 -1.645 -3.575 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.152 -2.105 -4.767 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.387 -0.664 -3.750 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.160 1.895 -4.619 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.750 3.079 -4.010 1.00 0.11 C ATOM 1127 C PHE A 69 -1.958 3.577 -4.801 1.00 0.10 C ATOM 1128 O PHE A 69 -2.964 3.985 -4.223 1.00 0.12 O ATOM 1129 CB PHE A 69 0.294 4.199 -3.936 1.00 0.11 C ATOM 1130 CG PHE A 69 1.390 3.995 -2.917 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.332 2.970 -1.980 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.482 4.847 -2.899 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.339 2.808 -1.050 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.492 4.686 -1.971 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.421 3.666 -1.045 1.00 0.12 C ATOM 0 H PHE A 69 0.778 2.041 -4.993 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.083 2.804 -3.009 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.751 4.312 -4.919 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.217 5.135 -3.713 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.490 2.293 -1.980 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.544 5.648 -3.621 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.281 2.009 -0.325 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.337 5.358 -1.970 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.210 3.539 -0.318 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.848 3.539 -6.125 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.922 4.022 -6.975 1.00 0.13 C ATOM 1147 C GLY A 70 -4.120 3.100 -7.028 1.00 0.13 C ATOM 1148 O GLY A 70 -5.259 3.561 -6.998 1.00 0.13 O ATOM 0 H GLY A 70 -1.034 3.182 -6.625 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.244 5.000 -6.618 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.538 4.162 -7.985 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.870 1.800 -7.116 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.953 0.828 -7.172 1.00 0.15 C ATOM 1154 C ILE A 71 -5.894 1.018 -5.989 1.00 0.13 C ATOM 1155 O ILE A 71 -7.111 0.890 -6.120 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.408 -0.611 -7.166 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.393 -0.794 -8.295 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.548 -1.608 -7.308 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.399 -1.906 -8.042 1.00 0.25 C ATOM 0 H ILE A 71 -2.934 1.397 -7.150 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.498 0.990 -8.102 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.907 -0.793 -6.215 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.927 -1.000 -9.223 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.851 0.140 -8.440 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.148 -2.622 -7.302 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.243 -1.487 -6.477 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.072 -1.430 -8.247 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.711 -1.977 -8.884 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.838 -1.693 -7.132 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.931 -2.850 -7.927 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.313 1.325 -4.836 1.00 0.11 N ATOM 1172 CA VAL A 72 -6.086 1.546 -3.620 1.00 0.11 C ATOM 1173 C VAL A 72 -6.845 2.862 -3.702 1.00 0.12 C ATOM 1174 O VAL A 72 -8.045 2.921 -3.443 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.182 1.577 -2.379 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -6.012 1.616 -1.102 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.224 0.394 -2.379 1.00 0.12 C ATOM 0 H VAL A 72 -4.305 1.427 -4.717 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.787 0.716 -3.530 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.586 2.489 -2.415 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.349 1.637 -0.237 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.637 2.509 -1.102 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.645 0.730 -1.052 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.593 0.436 -1.491 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.794 -0.535 -2.376 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.598 0.433 -3.271 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.117 3.914 -4.063 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.683 5.252 -4.182 1.00 0.16 C ATOM 1189 C ILE A 73 -7.919 5.260 -5.082 1.00 0.19 C ATOM 1190 O ILE A 73 -8.917 5.910 -4.779 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.630 6.234 -4.741 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.643 6.629 -3.643 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.306 7.460 -5.324 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.452 7.418 -4.144 1.00 0.16 C ATOM 0 H ILE A 73 -5.122 3.863 -4.280 1.00 0.13 H new ATOM 0 HA ILE A 73 -6.984 5.570 -3.184 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.077 5.739 -5.540 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.168 7.219 -2.892 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.286 5.726 -3.147 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.550 8.142 -5.713 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -6.973 7.158 -6.132 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -6.882 7.962 -4.547 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -2.798 7.661 -3.306 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -2.902 6.823 -4.873 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -3.797 8.339 -4.614 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.826 4.545 -6.189 1.00 0.18 N ATOM 1207 CA ASP A 74 -8.921 4.455 -7.157 1.00 0.21 C ATOM 1208 C ASP A 74 -10.162 3.818 -6.540 1.00 0.19 C ATOM 1209 O ASP A 74 -11.218 4.446 -6.491 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.478 3.650 -8.381 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.541 3.601 -9.461 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -9.566 4.517 -10.311 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.348 2.648 -9.458 1.00 0.55 O ATOM 0 H ASP A 74 -6.997 4.010 -6.448 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.178 5.469 -7.463 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.569 4.089 -8.791 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.230 2.634 -8.073 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.047 2.570 -6.078 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.185 1.900 -5.459 1.00 0.25 C ATOM 1220 C TYR A 75 -11.690 2.740 -4.303 1.00 0.27 C ATOM 1221 O TYR A 75 -12.881 2.766 -4.009 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.794 0.495 -5.001 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.998 -0.578 -6.060 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.314 -0.245 -7.374 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -10.878 -1.926 -5.744 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.503 -1.217 -8.335 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -11.064 -2.906 -6.701 1.00 1.41 C ATOM 1228 CZ TYR A 75 -11.377 -2.547 -7.994 1.00 0.99 C ATOM 1229 OH TYR A 75 -11.566 -3.518 -8.949 1.00 1.24 O ATOM 0 H TYR A 75 -9.193 2.015 -6.121 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.988 1.792 -6.188 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.746 0.500 -4.700 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.378 0.236 -4.118 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.413 0.795 -7.647 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -10.635 -2.213 -4.732 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.748 -0.937 -9.349 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -10.964 -3.948 -6.436 1.00 1.41 H new ATOM 0 HH TYR A 75 -11.440 -4.402 -8.546 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.766 3.432 -3.659 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.100 4.321 -2.561 1.00 0.30 C ATOM 1241 C LYS A 76 -11.956 5.458 -3.097 1.00 0.37 C ATOM 1242 O LYS A 76 -12.931 5.883 -2.478 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.820 4.888 -1.954 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.062 5.840 -0.800 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.108 7.018 -0.856 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.195 7.057 0.352 1.00 0.75 C ATOM 1247 NZ LYS A 76 -7.324 8.263 0.349 1.00 1.66 N ATOM 0 H LYS A 76 -9.771 3.394 -3.880 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.647 3.774 -1.793 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.196 4.064 -1.608 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.259 5.408 -2.731 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.091 6.199 -0.830 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.937 5.311 0.145 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.508 6.958 -1.764 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.678 7.946 -0.912 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -8.795 7.045 1.262 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.575 6.161 0.368 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -6.354 7.991 0.607 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -7.323 8.688 -0.600 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -7.685 8.954 1.038 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.556 5.934 -4.269 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.232 7.015 -4.962 1.00 0.36 C ATOM 1263 C GLU A 77 -13.544 6.548 -5.586 1.00 0.34 C ATOM 1264 O GLU A 77 -14.402 7.361 -5.930 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.295 7.556 -6.042 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.271 8.543 -5.511 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.542 9.965 -5.961 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -11.297 10.675 -5.264 1.00 1.09 O ATOM 1269 OE2 GLU A 77 -10.000 10.368 -7.012 1.00 1.16 O ATOM 0 H GLU A 77 -10.743 5.574 -4.768 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.478 7.798 -4.245 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -10.775 6.722 -6.513 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -11.888 8.041 -6.818 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.267 8.505 -4.422 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.277 8.244 -5.844 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.694 5.234 -5.731 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.898 4.662 -6.322 1.00 0.33 C ATOM 1278 C ARG A 78 -15.842 4.118 -5.256 1.00 0.36 C ATOM 1279 O ARG A 78 -16.800 3.409 -5.566 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.526 3.545 -7.294 1.00 0.34 C ATOM 1281 CG ARG A 78 -13.776 4.029 -8.523 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.537 2.899 -9.509 1.00 0.42 C ATOM 1283 NE ARG A 78 -14.789 2.368 -10.043 1.00 1.15 N ATOM 1284 CZ ARG A 78 -14.852 1.456 -11.010 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.738 0.972 -11.544 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -16.029 1.026 -11.441 1.00 2.37 N ATOM 0 H ARG A 78 -12.996 4.546 -5.447 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.413 5.459 -6.858 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.914 2.810 -6.772 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.435 3.034 -7.612 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.344 4.823 -9.008 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -12.821 4.459 -8.222 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -12.916 3.258 -10.329 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -12.984 2.099 -9.017 1.00 0.42 H new ATOM 0 HE ARG A 78 -15.665 2.716 -9.652 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -12.830 1.299 -11.213 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -13.790 0.273 -12.285 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -16.888 1.394 -11.032 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -16.076 0.327 -12.182 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.562 4.452 -4.002 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.382 3.999 -2.883 1.00 0.43 C ATOM 1302 C ASP A 79 -16.414 2.473 -2.829 1.00 0.40 C ATOM 1303 O ASP A 79 -17.398 1.871 -2.400 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.804 4.558 -3.005 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.638 4.317 -1.761 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.440 5.043 -0.765 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.491 3.405 -1.785 1.00 2.00 O ATOM 0 H ASP A 79 -14.771 5.037 -3.733 1.00 0.38 H new ATOM 0 HA ASP A 79 -15.941 4.369 -1.958 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -17.753 5.629 -3.201 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.297 4.100 -3.862 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.321 1.857 -3.268 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.207 0.406 -3.278 1.00 0.32 C ATOM 1314 C LEU A 80 -14.632 -0.104 -1.958 1.00 0.31 C ATOM 1315 O LEU A 80 -15.030 -1.160 -1.465 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.346 -0.054 -4.458 1.00 0.29 C ATOM 1317 CG LEU A 80 -15.124 -0.744 -5.575 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.541 0.266 -6.626 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.289 -1.839 -6.202 1.00 0.39 C ATOM 0 H LEU A 80 -14.498 2.345 -3.623 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.206 -0.015 -3.395 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.828 0.811 -4.873 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.581 -0.737 -4.089 1.00 0.29 H new ATOM 0 HG LEU A 80 -16.020 -1.194 -5.147 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.095 -0.240 -7.417 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.174 1.027 -6.169 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.654 0.738 -7.049 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.858 -2.321 -6.997 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.378 -1.409 -6.618 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -14.028 -2.577 -5.444 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.695 0.652 -1.391 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.083 0.286 -0.117 1.00 0.14 C ATOM 1333 C ILE A 81 -14.016 0.632 1.034 1.00 0.13 C ATOM 1334 O ILE A 81 -14.600 1.715 1.067 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.738 1.008 0.095 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.756 0.632 -1.018 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.154 0.664 1.464 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.449 1.394 -0.959 1.00 0.17 C ATOM 0 H ILE A 81 -13.343 1.521 -1.793 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.902 -0.789 -0.141 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.911 2.084 0.059 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.547 -0.436 -0.960 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.228 0.812 -1.984 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.205 1.183 1.595 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.849 0.975 2.244 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -10.992 -0.412 1.530 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.804 1.075 -1.778 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.646 2.462 -1.048 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -8.954 1.194 -0.009 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.153 -0.292 1.976 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.020 -0.083 3.125 1.00 0.13 C ATOM 1352 C ASP A 82 -14.554 1.111 3.943 1.00 0.13 C ATOM 1353 O ASP A 82 -13.363 1.258 4.220 1.00 0.13 O ATOM 1354 CB ASP A 82 -15.037 -1.329 4.006 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.306 -1.439 4.829 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.482 -0.628 5.760 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.125 -2.337 4.540 1.00 0.47 O ATOM 0 H ASP A 82 -13.674 -1.193 1.966 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.027 0.115 2.758 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.936 -2.215 3.379 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.175 -1.311 4.673 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.499 1.961 4.327 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.182 3.138 5.122 1.00 0.16 C ATOM 1364 C ARG A 83 -14.581 2.733 6.461 1.00 0.18 C ATOM 1365 O ARG A 83 -14.030 3.564 7.183 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.427 4.002 5.325 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.826 4.783 4.082 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.793 5.845 3.736 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.995 6.396 2.398 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.775 7.441 2.141 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.432 8.042 3.125 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -16.900 7.889 0.900 1.00 1.48 N ATOM 0 H ARG A 83 -16.488 1.856 4.101 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.443 3.729 4.582 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.258 3.365 5.628 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.247 4.700 6.142 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -16.941 4.098 3.242 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.795 5.255 4.243 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.842 6.650 4.470 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.794 5.413 3.802 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.510 5.954 1.617 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.339 7.702 4.082 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.030 8.844 2.924 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.397 7.432 0.140 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.499 8.691 0.705 1.00 1.48 H new ATOM 1386 N SER A 84 -14.695 1.449 6.790 1.00 0.17 N ATOM 1387 CA SER A 84 -14.143 0.932 8.033 1.00 0.20 C ATOM 1388 C SER A 84 -12.626 1.068 8.021 1.00 0.19 C ATOM 1389 O SER A 84 -12.006 1.344 9.048 1.00 0.23 O ATOM 1390 CB SER A 84 -14.541 -0.531 8.230 1.00 0.22 C ATOM 1391 OG SER A 84 -15.946 -0.664 8.364 1.00 1.09 O ATOM 0 H SER A 84 -15.164 0.751 6.213 1.00 0.17 H new ATOM 0 HA SER A 84 -14.546 1.512 8.863 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.196 -1.122 7.382 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.049 -0.929 9.117 1.00 0.22 H new ATOM 0 HG SER A 84 -16.363 -0.639 7.477 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.033 0.868 6.845 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.588 0.990 6.688 1.00 0.16 C ATOM 1399 C ALA A 85 -10.162 2.434 6.891 1.00 0.19 C ATOM 1400 O ALA A 85 -9.169 2.712 7.563 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.157 0.509 5.310 1.00 0.14 C ATOM 0 H ALA A 85 -12.531 0.621 5.990 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.105 0.366 7.440 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.076 0.608 5.212 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.439 -0.537 5.185 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.647 1.111 4.545 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.931 3.344 6.300 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.659 4.777 6.402 1.00 0.25 C ATOM 1409 C TYR A 86 -10.295 5.171 7.832 1.00 0.31 C ATOM 1410 O TYR A 86 -9.090 5.356 8.105 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.876 5.587 5.945 1.00 0.28 C ATOM 1412 CG TYR A 86 -12.120 5.566 4.452 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.226 4.367 3.766 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.256 6.747 3.734 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.460 4.340 2.405 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.489 6.730 2.371 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.591 5.524 1.712 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.827 5.503 0.356 1.00 0.40 O ATOM 1419 OXT TYR A 86 -11.217 5.289 8.665 1.00 1.02 O ATOM 0 H TYR A 86 -11.753 3.114 5.742 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.811 4.998 5.753 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.762 5.203 6.450 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.749 6.621 6.265 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.124 3.437 4.305 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -12.179 7.694 4.248 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.540 3.396 1.887 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.590 7.657 1.826 1.00 0.44 H new ATOM 0 HH TYR A 86 -13.129 6.388 0.063 1.00 0.40 H new TER 1429 TYR A 86