USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 888 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 54 THR OG1 : rot 45:sc= 0.0554 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 151:sc= 1.26 (180deg=1.19) USER MOD Single : A 29 SER OG : rot -110:sc= -0.247 USER MOD Single : A 30 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.36) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= 0.273 (180deg=0.0284) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 146:sc= -0.227 (180deg=-1.15) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc=-0.00625 (180deg=-0.118) USER MOD Single : A 46 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.29) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 2.06 (180deg=2.02) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.0669 (180deg=-0.443) USER MOD Single : A 65 SER OG : rot 76:sc= 1.24 USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.0486 (180deg=-0.289) USER MOD Single : A 79 THR OG1 : rot 132:sc= 0.00595 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.12) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 1.02 (180deg=0.97) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -156:sc= -1.1 (180deg=-2.32!) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 104 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.16) USER MOD Single : A 106 THR OG1 : rot 148:sc= 1.23 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -150:sc= 1.29 (180deg=1.12) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -92:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -2.863 12.961 -4.035 1.00 1.16 N ATOM 2 CA GLY A 22 -3.253 12.098 -2.896 1.00 1.05 C ATOM 3 C GLY A 22 -2.784 10.677 -3.087 1.00 0.87 C ATOM 4 O GLY A 22 -3.044 10.072 -4.127 1.00 0.89 O ATOM 0 HA2 GLY A 22 -2.832 12.499 -1.974 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -4.337 12.112 -2.784 1.00 1.05 H new ATOM 7 N LEU A 23 -2.093 10.139 -2.092 1.00 0.75 N ATOM 8 CA LEU A 23 -1.547 8.794 -2.191 1.00 0.62 C ATOM 9 C LEU A 23 -1.941 7.951 -0.988 1.00 0.51 C ATOM 10 O LEU A 23 -1.563 8.250 0.147 1.00 0.59 O ATOM 11 CB LEU A 23 -0.015 8.816 -2.311 1.00 0.75 C ATOM 12 CG LEU A 23 0.562 9.301 -3.648 1.00 1.22 C ATOM 13 CD1 LEU A 23 -0.131 8.615 -4.816 1.00 1.78 C ATOM 14 CD2 LEU A 23 0.470 10.815 -3.772 1.00 1.91 C ATOM 0 H LEU A 23 -1.898 10.612 -1.210 1.00 0.75 H new ATOM 0 HA LEU A 23 -1.966 8.350 -3.094 1.00 0.62 H new ATOM 0 HB2 LEU A 23 0.380 9.452 -1.519 1.00 0.75 H new ATOM 0 HB3 LEU A 23 0.356 7.808 -2.125 1.00 0.75 H new ATOM 0 HG LEU A 23 1.618 9.031 -3.674 1.00 1.22 H new ATOM 0 HD11 LEU A 23 0.294 8.974 -5.753 1.00 1.78 H new ATOM 0 HD12 LEU A 23 0.013 7.537 -4.742 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -1.197 8.842 -4.791 1.00 1.78 H new ATOM 0 HD21 LEU A 23 0.887 11.128 -4.729 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -0.574 11.122 -3.713 1.00 1.91 H new ATOM 0 HD23 LEU A 23 1.032 11.281 -2.962 1.00 1.91 H new ATOM 26 N LEU A 24 -2.708 6.906 -1.247 1.00 0.40 N ATOM 27 CA LEU A 24 -3.032 5.919 -0.234 1.00 0.39 C ATOM 28 C LEU A 24 -2.318 4.622 -0.583 1.00 0.38 C ATOM 29 O LEU A 24 -2.729 3.905 -1.493 1.00 0.50 O ATOM 30 CB LEU A 24 -4.548 5.697 -0.162 1.00 0.44 C ATOM 31 CG LEU A 24 -5.026 4.707 0.906 1.00 0.50 C ATOM 32 CD1 LEU A 24 -4.640 5.180 2.298 1.00 1.02 C ATOM 33 CD2 LEU A 24 -6.530 4.513 0.813 1.00 1.24 C ATOM 0 H LEU A 24 -3.121 6.719 -2.161 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.704 6.271 0.744 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -5.029 6.658 0.019 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.892 5.347 -1.135 1.00 0.44 H new ATOM 0 HG LEU A 24 -4.537 3.750 0.724 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -4.991 4.460 3.037 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -3.556 5.269 2.364 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -5.096 6.151 2.492 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -6.854 3.807 1.578 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -7.030 5.469 0.966 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -6.786 4.123 -0.172 1.00 1.24 H new ATOM 45 N VAL A 25 -1.236 4.332 0.113 1.00 0.37 N ATOM 46 CA VAL A 25 -0.391 3.212 -0.266 1.00 0.40 C ATOM 47 C VAL A 25 -0.431 2.105 0.774 1.00 0.42 C ATOM 48 O VAL A 25 -0.401 2.362 1.975 1.00 0.56 O ATOM 49 CB VAL A 25 1.070 3.666 -0.507 1.00 0.49 C ATOM 50 CG1 VAL A 25 1.950 2.503 -0.941 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.119 4.781 -1.542 1.00 0.84 C ATOM 0 H VAL A 25 -0.922 4.848 0.935 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.788 2.815 -1.200 1.00 0.40 H new ATOM 0 HB VAL A 25 1.459 4.045 0.438 1.00 0.49 H new ATOM 0 HG11 VAL A 25 2.968 2.857 -1.101 1.00 0.95 H new ATOM 0 HG12 VAL A 25 1.950 1.737 -0.165 1.00 0.95 H new ATOM 0 HG13 VAL A 25 1.563 2.080 -1.868 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.153 5.087 -1.698 1.00 0.84 H new ATOM 0 HG22 VAL A 25 0.700 4.423 -2.483 1.00 0.84 H new ATOM 0 HG23 VAL A 25 0.538 5.632 -1.187 1.00 0.84 H new ATOM 61 N LEU A 26 -0.504 0.871 0.295 1.00 0.46 N ATOM 62 CA LEU A 26 -0.584 -0.293 1.162 1.00 0.57 C ATOM 63 C LEU A 26 0.637 -1.176 0.944 1.00 0.51 C ATOM 64 O LEU A 26 1.069 -1.368 -0.192 1.00 0.58 O ATOM 65 CB LEU A 26 -1.853 -1.097 0.840 1.00 0.75 C ATOM 66 CG LEU A 26 -3.140 -0.279 0.707 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.283 -1.162 0.229 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.505 0.386 2.024 1.00 1.00 C ATOM 0 H LEU A 26 -0.509 0.651 -0.701 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.618 0.038 2.200 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -1.691 -1.639 -0.091 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -1.997 -1.842 1.622 1.00 0.75 H new ATOM 0 HG LEU A 26 -2.966 0.503 -0.032 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.191 -0.565 0.140 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.032 -1.588 -0.742 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.446 -1.966 0.947 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.423 0.960 1.900 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.655 -0.377 2.788 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.699 1.053 2.331 1.00 1.00 H new ATOM 80 N ILE A 27 1.204 -1.693 2.020 1.00 0.50 N ATOM 81 CA ILE A 27 2.336 -2.599 1.920 1.00 0.49 C ATOM 82 C ILE A 27 2.353 -3.574 3.092 1.00 0.51 C ATOM 83 O ILE A 27 2.455 -3.172 4.251 1.00 0.72 O ATOM 84 CB ILE A 27 3.688 -1.837 1.850 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.860 -2.829 1.859 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.816 -0.839 2.992 1.00 1.00 C ATOM 87 CD1 ILE A 27 6.225 -2.171 1.847 1.00 0.96 C ATOM 0 H ILE A 27 0.899 -1.501 2.974 1.00 0.50 H new ATOM 0 HA ILE A 27 2.216 -3.155 0.990 1.00 0.49 H new ATOM 0 HB ILE A 27 3.715 -1.276 0.916 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.781 -3.461 2.743 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.776 -3.483 0.991 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.772 -0.321 2.917 1.00 1.00 H new ATOM 0 HG22 ILE A 27 3.005 -0.114 2.934 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.763 -1.367 3.944 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.999 -2.938 1.854 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.327 -1.561 0.949 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.332 -1.539 2.729 1.00 0.96 H new ATOM 99 N TRP A 28 2.238 -4.855 2.796 1.00 0.45 N ATOM 100 CA TRP A 28 2.349 -5.863 3.832 1.00 0.48 C ATOM 101 C TRP A 28 3.586 -6.725 3.586 1.00 0.48 C ATOM 102 O TRP A 28 3.666 -7.502 2.623 1.00 0.49 O ATOM 103 CB TRP A 28 1.061 -6.713 3.943 1.00 0.56 C ATOM 104 CG TRP A 28 0.800 -7.577 2.756 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.266 -7.185 1.567 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.059 -8.982 2.643 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.194 -8.254 0.716 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.673 -9.364 1.353 1.00 1.83 C ATOM 109 CE3 TRP A 28 1.589 -9.952 3.504 1.00 1.19 C ATOM 110 CZ2 TRP A 28 0.796 -10.665 0.901 1.00 2.26 C ATOM 111 CZ3 TRP A 28 1.707 -11.248 3.051 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.315 -11.593 1.759 1.00 2.06 C ATOM 0 H TRP A 28 2.070 -5.219 1.858 1.00 0.45 H new ATOM 0 HA TRP A 28 2.468 -5.363 4.793 1.00 0.48 H new ATOM 0 HB2 TRP A 28 1.129 -7.343 4.830 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.210 -6.047 4.089 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -0.053 -6.181 1.331 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.160 -8.227 -0.240 1.00 2.09 H new ATOM 0 HE3 TRP A 28 1.899 -9.689 4.504 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.492 -10.939 -0.098 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 2.109 -12.007 3.706 1.00 1.61 H new ATOM 0 HH2 TRP A 28 1.424 -12.616 1.429 1.00 2.06 H new ATOM 123 N SER A 29 4.596 -6.463 4.393 1.00 0.50 N ATOM 124 CA SER A 29 5.798 -7.268 4.442 1.00 0.54 C ATOM 125 C SER A 29 6.300 -7.302 5.880 1.00 0.60 C ATOM 126 O SER A 29 5.764 -6.585 6.733 1.00 0.87 O ATOM 127 CB SER A 29 6.861 -6.675 3.516 1.00 0.57 C ATOM 128 OG SER A 29 7.047 -5.294 3.779 1.00 1.29 O ATOM 0 H SER A 29 4.603 -5.675 5.041 1.00 0.50 H new ATOM 0 HA SER A 29 5.584 -8.283 4.107 1.00 0.54 H new ATOM 0 HB2 SER A 29 7.804 -7.205 3.651 1.00 0.57 H new ATOM 0 HB3 SER A 29 6.563 -6.815 2.477 1.00 0.57 H new ATOM 0 HG SER A 29 6.696 -4.768 3.030 1.00 1.29 H new ATOM 134 N ASN A 30 7.297 -8.121 6.171 1.00 0.65 N ATOM 135 CA ASN A 30 8.004 -7.982 7.434 1.00 0.69 C ATOM 136 C ASN A 30 9.507 -8.071 7.206 1.00 0.68 C ATOM 137 O ASN A 30 10.180 -9.023 7.607 1.00 0.75 O ATOM 138 CB ASN A 30 7.528 -9.026 8.459 1.00 0.81 C ATOM 139 CG ASN A 30 7.571 -10.453 7.942 1.00 1.55 C ATOM 140 OD1 ASN A 30 8.554 -11.173 8.131 1.00 2.33 O ATOM 141 ND2 ASN A 30 6.499 -10.875 7.293 1.00 2.23 N ATOM 0 H ASN A 30 7.630 -8.872 5.567 1.00 0.65 H new ATOM 0 HA ASN A 30 7.778 -7.000 7.849 1.00 0.69 H new ATOM 0 HB2 ASN A 30 8.148 -8.954 9.353 1.00 0.81 H new ATOM 0 HB3 ASN A 30 6.507 -8.788 8.759 1.00 0.81 H new ATOM 0 HD21 ASN A 30 6.465 -11.827 6.928 1.00 2.23 H new ATOM 0 HD22 ASN A 30 5.706 -10.249 7.157 1.00 2.23 H new ATOM 148 N ASP A 31 10.018 -7.034 6.569 1.00 0.63 N ATOM 149 CA ASP A 31 11.445 -6.815 6.436 1.00 0.64 C ATOM 150 C ASP A 31 11.801 -5.530 7.167 1.00 0.65 C ATOM 151 O ASP A 31 11.109 -4.521 7.028 1.00 0.78 O ATOM 152 CB ASP A 31 11.842 -6.738 4.962 1.00 0.67 C ATOM 153 CG ASP A 31 13.330 -6.536 4.770 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.761 -5.379 4.606 1.00 1.45 O ATOM 155 OD2 ASP A 31 14.080 -7.538 4.783 1.00 1.13 O ATOM 0 H ASP A 31 9.448 -6.314 6.125 1.00 0.63 H new ATOM 0 HA ASP A 31 11.994 -7.648 6.875 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.536 -7.655 4.459 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.303 -5.918 4.487 1.00 0.67 H new ATOM 160 N LYS A 32 12.879 -5.568 7.934 1.00 0.69 N ATOM 161 CA LYS A 32 13.236 -4.459 8.806 1.00 0.77 C ATOM 162 C LYS A 32 13.669 -3.243 7.994 1.00 0.71 C ATOM 163 O LYS A 32 13.458 -2.102 8.405 1.00 0.77 O ATOM 164 CB LYS A 32 14.355 -4.860 9.777 1.00 0.97 C ATOM 165 CG LYS A 32 13.966 -5.901 10.829 1.00 1.52 C ATOM 166 CD LYS A 32 14.006 -7.332 10.295 1.00 2.06 C ATOM 167 CE LYS A 32 12.616 -7.857 9.962 1.00 2.28 C ATOM 168 NZ LYS A 32 12.652 -9.262 9.478 1.00 3.05 N ATOM 0 H LYS A 32 13.524 -6.357 7.971 1.00 0.69 H new ATOM 0 HA LYS A 32 12.349 -4.198 9.383 1.00 0.77 H new ATOM 0 HB2 LYS A 32 15.194 -5.248 9.199 1.00 0.97 H new ATOM 0 HB3 LYS A 32 14.708 -3.965 10.289 1.00 0.97 H new ATOM 0 HG2 LYS A 32 14.640 -5.818 11.681 1.00 1.52 H new ATOM 0 HG3 LYS A 32 12.962 -5.683 11.194 1.00 1.52 H new ATOM 0 HD2 LYS A 32 14.630 -7.368 9.402 1.00 2.06 H new ATOM 0 HD3 LYS A 32 14.471 -7.982 11.036 1.00 2.06 H new ATOM 0 HE2 LYS A 32 11.983 -7.795 10.847 1.00 2.28 H new ATOM 0 HE3 LYS A 32 12.162 -7.223 9.201 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 11.866 -9.421 8.816 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 13.555 -9.439 8.993 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 12.560 -9.910 10.286 1.00 3.05 H new ATOM 182 N LYS A 33 14.261 -3.494 6.835 1.00 0.71 N ATOM 183 CA LYS A 33 14.739 -2.422 5.977 1.00 0.75 C ATOM 184 C LYS A 33 13.622 -1.902 5.082 1.00 0.64 C ATOM 185 O LYS A 33 13.444 -0.691 4.942 1.00 0.63 O ATOM 186 CB LYS A 33 15.910 -2.909 5.123 1.00 0.94 C ATOM 187 CG LYS A 33 17.163 -3.220 5.928 1.00 1.55 C ATOM 188 CD LYS A 33 18.261 -3.817 5.061 1.00 2.09 C ATOM 189 CE LYS A 33 18.646 -2.891 3.917 1.00 2.72 C ATOM 190 NZ LYS A 33 19.707 -3.478 3.058 1.00 3.16 N ATOM 0 H LYS A 33 14.421 -4.432 6.468 1.00 0.71 H new ATOM 0 HA LYS A 33 15.078 -1.605 6.613 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.606 -3.804 4.580 1.00 0.94 H new ATOM 0 HB3 LYS A 33 16.146 -2.149 4.378 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.528 -2.307 6.398 1.00 1.55 H new ATOM 0 HG3 LYS A 33 16.916 -3.915 6.730 1.00 1.55 H new ATOM 0 HD2 LYS A 33 19.138 -4.020 5.675 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.926 -4.773 4.658 1.00 2.09 H new ATOM 0 HE2 LYS A 33 17.765 -2.678 3.311 1.00 2.72 H new ATOM 0 HE3 LYS A 33 18.992 -1.940 4.321 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 19.939 -2.815 2.291 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 20.557 -3.658 3.630 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 19.368 -4.373 2.651 1.00 3.16 H new ATOM 204 N LEU A 34 12.871 -2.823 4.484 1.00 0.62 N ATOM 205 CA LEU A 34 11.788 -2.466 3.571 1.00 0.61 C ATOM 206 C LEU A 34 10.748 -1.587 4.259 1.00 0.54 C ATOM 207 O LEU A 34 10.399 -0.522 3.752 1.00 0.61 O ATOM 208 CB LEU A 34 11.119 -3.726 3.014 1.00 0.66 C ATOM 209 CG LEU A 34 9.961 -3.480 2.037 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.421 -2.640 0.858 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.384 -4.803 1.551 1.00 1.59 C ATOM 0 H LEU A 34 12.993 -3.827 4.616 1.00 0.62 H new ATOM 0 HA LEU A 34 12.224 -1.899 2.748 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.876 -4.326 2.509 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.747 -4.319 3.850 1.00 0.66 H new ATOM 0 HG LEU A 34 9.180 -2.932 2.565 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.584 -2.478 0.178 1.00 1.22 H new ATOM 0 HD12 LEU A 34 10.788 -1.679 1.217 1.00 1.22 H new ATOM 0 HD13 LEU A 34 11.221 -3.160 0.331 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.564 -4.610 0.859 1.00 1.59 H new ATOM 0 HD22 LEU A 34 10.161 -5.374 1.043 1.00 1.59 H new ATOM 0 HD23 LEU A 34 9.013 -5.373 2.403 1.00 1.59 H new ATOM 223 N ILE A 35 10.266 -2.034 5.416 1.00 0.48 N ATOM 224 CA ILE A 35 9.255 -1.287 6.160 1.00 0.49 C ATOM 225 C ILE A 35 9.771 0.099 6.528 1.00 0.48 C ATOM 226 O ILE A 35 9.064 1.096 6.374 1.00 0.53 O ATOM 227 CB ILE A 35 8.818 -2.034 7.440 1.00 0.55 C ATOM 228 CG1 ILE A 35 8.145 -3.361 7.075 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.877 -1.172 8.277 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.709 -4.172 8.275 1.00 1.01 C ATOM 0 H ILE A 35 10.558 -2.906 5.857 1.00 0.48 H new ATOM 0 HA ILE A 35 8.386 -1.188 5.509 1.00 0.49 H new ATOM 0 HB ILE A 35 9.707 -2.243 8.036 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.276 -3.157 6.450 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.835 -3.956 6.477 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.583 -1.719 9.173 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.385 -0.252 8.564 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.990 -0.929 7.693 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.241 -5.097 7.938 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.578 -4.407 8.890 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.994 -3.597 8.863 1.00 1.01 H new ATOM 242 N GLU A 36 11.015 0.156 6.989 1.00 0.50 N ATOM 243 CA GLU A 36 11.628 1.417 7.374 1.00 0.53 C ATOM 244 C GLU A 36 11.704 2.366 6.177 1.00 0.48 C ATOM 245 O GLU A 36 11.219 3.494 6.240 1.00 0.51 O ATOM 246 CB GLU A 36 13.027 1.171 7.944 1.00 0.66 C ATOM 247 CG GLU A 36 13.635 2.389 8.622 1.00 1.22 C ATOM 248 CD GLU A 36 12.850 2.820 9.844 1.00 1.73 C ATOM 249 OE1 GLU A 36 11.990 3.714 9.718 1.00 2.62 O ATOM 250 OE2 GLU A 36 13.090 2.266 10.938 1.00 2.01 O ATOM 0 H GLU A 36 11.618 -0.659 7.105 1.00 0.50 H new ATOM 0 HA GLU A 36 11.010 1.881 8.143 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.978 0.353 8.663 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.686 0.848 7.138 1.00 0.66 H new ATOM 0 HG2 GLU A 36 14.661 2.165 8.913 1.00 1.22 H new ATOM 0 HG3 GLU A 36 13.678 3.214 7.911 1.00 1.22 H new ATOM 257 N GLU A 37 12.288 1.888 5.082 1.00 0.48 N ATOM 258 CA GLU A 37 12.473 2.705 3.883 1.00 0.51 C ATOM 259 C GLU A 37 11.143 3.158 3.293 1.00 0.44 C ATOM 260 O GLU A 37 10.995 4.316 2.902 1.00 0.48 O ATOM 261 CB GLU A 37 13.275 1.936 2.833 1.00 0.65 C ATOM 262 CG GLU A 37 14.768 1.898 3.118 1.00 0.80 C ATOM 263 CD GLU A 37 15.418 3.266 3.015 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.321 4.048 3.979 1.00 1.61 O ATOM 265 OE2 GLU A 37 16.040 3.556 1.970 1.00 1.55 O ATOM 0 H GLU A 37 12.643 0.935 4.999 1.00 0.48 H new ATOM 0 HA GLU A 37 13.026 3.596 4.179 1.00 0.51 H new ATOM 0 HB2 GLU A 37 12.898 0.915 2.776 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.111 2.392 1.857 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.933 1.496 4.118 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.251 1.217 2.417 1.00 0.80 H new ATOM 272 N ALA A 38 10.181 2.246 3.230 1.00 0.40 N ATOM 273 CA ALA A 38 8.867 2.561 2.686 1.00 0.42 C ATOM 274 C ALA A 38 8.188 3.644 3.516 1.00 0.39 C ATOM 275 O ALA A 38 7.632 4.600 2.973 1.00 0.42 O ATOM 276 CB ALA A 38 7.999 1.312 2.625 1.00 0.50 C ATOM 0 H ALA A 38 10.286 1.283 3.549 1.00 0.40 H new ATOM 0 HA ALA A 38 8.998 2.938 1.672 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.022 1.568 2.216 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.476 0.568 1.987 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.877 0.904 3.629 1.00 0.50 H new ATOM 282 N ARG A 39 8.258 3.495 4.834 1.00 0.41 N ATOM 283 CA ARG A 39 7.652 4.454 5.749 1.00 0.50 C ATOM 284 C ARG A 39 8.368 5.800 5.677 1.00 0.46 C ATOM 285 O ARG A 39 7.727 6.849 5.606 1.00 0.52 O ATOM 286 CB ARG A 39 7.690 3.914 7.179 1.00 0.62 C ATOM 287 CG ARG A 39 7.023 4.827 8.193 1.00 1.18 C ATOM 288 CD ARG A 39 7.104 4.253 9.596 1.00 1.43 C ATOM 289 NE ARG A 39 8.486 4.055 10.032 1.00 1.88 N ATOM 290 CZ ARG A 39 8.832 3.701 11.267 1.00 2.58 C ATOM 291 NH1 ARG A 39 7.901 3.527 12.198 1.00 2.84 N ATOM 292 NH2 ARG A 39 10.109 3.529 11.570 1.00 3.48 N ATOM 0 H ARG A 39 8.730 2.716 5.294 1.00 0.41 H new ATOM 0 HA ARG A 39 6.614 4.602 5.452 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.202 2.940 7.203 1.00 0.62 H new ATOM 0 HB3 ARG A 39 8.728 3.757 7.472 1.00 0.62 H new ATOM 0 HG2 ARG A 39 7.500 5.807 8.171 1.00 1.18 H new ATOM 0 HG3 ARG A 39 5.978 4.975 7.919 1.00 1.18 H new ATOM 0 HD2 ARG A 39 6.598 4.923 10.291 1.00 1.43 H new ATOM 0 HD3 ARG A 39 6.574 3.301 9.629 1.00 1.43 H new ATOM 0 HE ARG A 39 9.229 4.197 9.348 1.00 1.88 H new ATOM 0 HH11 ARG A 39 6.917 3.665 11.967 1.00 2.84 H new ATOM 0 HH12 ARG A 39 8.170 3.256 13.144 1.00 2.84 H new ATOM 0 HH21 ARG A 39 10.825 3.668 10.857 1.00 3.48 H new ATOM 0 HH22 ARG A 39 10.377 3.258 12.516 1.00 3.48 H new ATOM 306 N LYS A 40 9.696 5.763 5.686 1.00 0.45 N ATOM 307 CA LYS A 40 10.500 6.979 5.616 1.00 0.49 C ATOM 308 C LYS A 40 10.196 7.763 4.347 1.00 0.42 C ATOM 309 O LYS A 40 10.031 8.982 4.390 1.00 0.47 O ATOM 310 CB LYS A 40 11.994 6.649 5.674 1.00 0.62 C ATOM 311 CG LYS A 40 12.478 6.197 7.043 1.00 1.06 C ATOM 312 CD LYS A 40 12.389 7.317 8.067 1.00 1.58 C ATOM 313 CE LYS A 40 12.900 6.872 9.428 1.00 2.12 C ATOM 314 NZ LYS A 40 12.849 7.976 10.420 1.00 2.95 N ATOM 0 H LYS A 40 10.240 4.902 5.741 1.00 0.45 H new ATOM 0 HA LYS A 40 10.241 7.594 6.478 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.211 5.866 4.947 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.561 7.529 5.372 1.00 0.62 H new ATOM 0 HG2 LYS A 40 11.881 5.349 7.378 1.00 1.06 H new ATOM 0 HG3 LYS A 40 13.509 5.852 6.969 1.00 1.06 H new ATOM 0 HD2 LYS A 40 12.969 8.173 7.722 1.00 1.58 H new ATOM 0 HD3 LYS A 40 11.354 7.648 8.156 1.00 1.58 H new ATOM 0 HE2 LYS A 40 12.302 6.034 9.785 1.00 2.12 H new ATOM 0 HE3 LYS A 40 13.925 6.515 9.333 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 13.205 7.636 11.336 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 13.440 8.766 10.091 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 11.867 8.300 10.529 1.00 2.95 H new ATOM 328 N MET A 41 10.113 7.058 3.224 1.00 0.39 N ATOM 329 CA MET A 41 9.843 7.699 1.944 1.00 0.41 C ATOM 330 C MET A 41 8.414 8.228 1.897 1.00 0.42 C ATOM 331 O MET A 41 8.159 9.314 1.371 1.00 0.52 O ATOM 332 CB MET A 41 10.081 6.724 0.789 1.00 0.48 C ATOM 333 CG MET A 41 9.978 7.379 -0.577 1.00 0.69 C ATOM 334 SD MET A 41 11.196 8.688 -0.801 1.00 1.10 S ATOM 335 CE MET A 41 10.684 9.364 -2.376 1.00 1.55 C ATOM 0 H MET A 41 10.229 6.046 3.175 1.00 0.39 H new ATOM 0 HA MET A 41 10.529 8.539 1.837 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.069 6.277 0.897 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.356 5.913 0.851 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.113 6.623 -1.351 1.00 0.69 H new ATOM 0 HG3 MET A 41 8.977 7.791 -0.705 1.00 0.69 H new ATOM 0 HE1 MET A 41 10.867 10.438 -2.387 1.00 1.55 H new ATOM 0 HE2 MET A 41 11.252 8.891 -3.177 1.00 1.55 H new ATOM 0 HE3 MET A 41 9.621 9.175 -2.525 1.00 1.55 H new ATOM 345 N ALA A 42 7.485 7.461 2.458 1.00 0.40 N ATOM 346 CA ALA A 42 6.090 7.870 2.512 1.00 0.49 C ATOM 347 C ALA A 42 5.931 9.131 3.351 1.00 0.51 C ATOM 348 O ALA A 42 5.147 10.022 3.019 1.00 0.59 O ATOM 349 CB ALA A 42 5.228 6.749 3.073 1.00 0.58 C ATOM 0 H ALA A 42 7.675 6.553 2.881 1.00 0.40 H new ATOM 0 HA ALA A 42 5.759 8.089 1.497 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.188 7.072 3.106 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.315 5.869 2.435 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.563 6.501 4.080 1.00 0.58 H new ATOM 355 N GLU A 43 6.691 9.197 4.435 1.00 0.50 N ATOM 356 CA GLU A 43 6.692 10.360 5.310 1.00 0.60 C ATOM 357 C GLU A 43 7.204 11.592 4.566 1.00 0.62 C ATOM 358 O GLU A 43 6.651 12.685 4.704 1.00 0.73 O ATOM 359 CB GLU A 43 7.578 10.100 6.528 1.00 0.67 C ATOM 360 CG GLU A 43 7.594 11.249 7.517 1.00 0.97 C ATOM 361 CD GLU A 43 8.859 11.284 8.341 1.00 1.62 C ATOM 362 OE1 GLU A 43 8.984 10.491 9.292 1.00 2.16 O ATOM 363 OE2 GLU A 43 9.743 12.116 8.040 1.00 2.38 O ATOM 0 H GLU A 43 7.320 8.451 4.731 1.00 0.50 H new ATOM 0 HA GLU A 43 5.668 10.542 5.636 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.231 9.199 7.034 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.597 9.905 6.192 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.489 12.190 6.977 1.00 0.97 H new ATOM 0 HG3 GLU A 43 6.734 11.165 8.181 1.00 0.97 H new ATOM 370 N LYS A 44 8.255 11.397 3.770 1.00 0.58 N ATOM 371 CA LYS A 44 8.899 12.493 3.045 1.00 0.66 C ATOM 372 C LYS A 44 7.903 13.263 2.186 1.00 0.66 C ATOM 373 O LYS A 44 7.877 14.493 2.210 1.00 0.70 O ATOM 374 CB LYS A 44 10.031 11.962 2.162 1.00 0.76 C ATOM 375 CG LYS A 44 11.207 11.400 2.939 1.00 1.29 C ATOM 376 CD LYS A 44 12.287 10.872 2.010 1.00 1.69 C ATOM 377 CE LYS A 44 13.445 10.260 2.783 1.00 2.09 C ATOM 378 NZ LYS A 44 14.151 11.266 3.620 1.00 2.20 N ATOM 0 H LYS A 44 8.681 10.484 3.610 1.00 0.58 H new ATOM 0 HA LYS A 44 9.308 13.175 3.790 1.00 0.66 H new ATOM 0 HB2 LYS A 44 9.635 11.184 1.509 1.00 0.76 H new ATOM 0 HB3 LYS A 44 10.385 12.768 1.519 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.625 12.176 3.580 1.00 1.29 H new ATOM 0 HG3 LYS A 44 10.863 10.598 3.592 1.00 1.29 H new ATOM 0 HD2 LYS A 44 11.859 10.124 1.343 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.657 11.684 1.383 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.072 9.457 3.419 1.00 2.09 H new ATOM 0 HE3 LYS A 44 14.150 9.811 2.084 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 15.019 10.846 4.009 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 14.396 12.092 3.037 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 13.532 11.565 4.400 1.00 2.20 H new ATOM 392 N ALA A 45 7.080 12.542 1.438 1.00 0.67 N ATOM 393 CA ALA A 45 6.118 13.179 0.549 1.00 0.74 C ATOM 394 C ALA A 45 4.750 13.309 1.213 1.00 0.73 C ATOM 395 O ALA A 45 3.769 13.702 0.581 1.00 0.81 O ATOM 396 CB ALA A 45 6.015 12.417 -0.759 1.00 0.82 C ATOM 0 H ALA A 45 7.058 11.522 1.428 1.00 0.67 H new ATOM 0 HA ALA A 45 6.476 14.186 0.333 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.292 12.908 -1.410 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.989 12.399 -1.247 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.690 11.396 -0.560 1.00 0.82 H new ATOM 402 N ASN A 46 4.711 12.954 2.497 1.00 0.69 N ATOM 403 CA ASN A 46 3.534 13.127 3.349 1.00 0.72 C ATOM 404 C ASN A 46 2.309 12.389 2.800 1.00 0.67 C ATOM 405 O ASN A 46 1.230 12.964 2.657 1.00 0.84 O ATOM 406 CB ASN A 46 3.227 14.620 3.533 1.00 0.87 C ATOM 407 CG ASN A 46 2.160 14.892 4.582 1.00 1.46 C ATOM 408 OD1 ASN A 46 1.394 15.848 4.465 1.00 2.13 O ATOM 409 ND2 ASN A 46 2.115 14.074 5.623 1.00 2.13 N ATOM 0 H ASN A 46 5.505 12.533 2.981 1.00 0.69 H new ATOM 0 HA ASN A 46 3.765 12.687 4.319 1.00 0.72 H new ATOM 0 HB2 ASN A 46 4.143 15.140 3.814 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.903 15.037 2.579 1.00 0.87 H new ATOM 0 HD21 ASN A 46 1.429 14.226 6.362 1.00 2.13 H new ATOM 0 HD22 ASN A 46 2.767 13.292 5.685 1.00 2.13 H new ATOM 416 N LEU A 47 2.474 11.112 2.502 1.00 0.51 N ATOM 417 CA LEU A 47 1.356 10.288 2.060 1.00 0.51 C ATOM 418 C LEU A 47 1.028 9.244 3.118 1.00 0.46 C ATOM 419 O LEU A 47 1.823 9.007 4.032 1.00 0.56 O ATOM 420 CB LEU A 47 1.661 9.605 0.724 1.00 0.58 C ATOM 421 CG LEU A 47 2.939 8.770 0.688 1.00 0.69 C ATOM 422 CD1 LEU A 47 2.693 7.451 -0.019 1.00 1.00 C ATOM 423 CD2 LEU A 47 4.048 9.538 -0.011 1.00 1.18 C ATOM 0 H LEU A 47 3.367 10.622 2.557 1.00 0.51 H new ATOM 0 HA LEU A 47 0.494 10.939 1.916 1.00 0.51 H new ATOM 0 HB2 LEU A 47 0.820 8.962 0.465 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.726 10.371 -0.049 1.00 0.58 H new ATOM 0 HG LEU A 47 3.245 8.563 1.713 1.00 0.69 H new ATOM 0 HD11 LEU A 47 3.615 6.869 -0.035 1.00 1.00 H new ATOM 0 HD12 LEU A 47 1.921 6.893 0.510 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.366 7.642 -1.041 1.00 1.00 H new ATOM 0 HD21 LEU A 47 4.954 8.932 -0.030 1.00 1.18 H new ATOM 0 HD22 LEU A 47 3.744 9.768 -1.032 1.00 1.18 H new ATOM 0 HD23 LEU A 47 4.243 10.466 0.527 1.00 1.18 H new ATOM 435 N TYR A 48 -0.138 8.625 3.000 1.00 0.49 N ATOM 436 CA TYR A 48 -0.585 7.664 3.995 1.00 0.54 C ATOM 437 C TYR A 48 -0.263 6.242 3.565 1.00 0.46 C ATOM 438 O TYR A 48 -0.891 5.688 2.661 1.00 0.58 O ATOM 439 CB TYR A 48 -2.082 7.824 4.275 1.00 0.64 C ATOM 440 CG TYR A 48 -2.419 9.151 4.912 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.881 10.218 4.152 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.254 9.343 6.277 1.00 1.31 C ATOM 443 CE1 TYR A 48 -3.172 11.436 4.737 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.544 10.555 6.869 1.00 1.43 C ATOM 445 CZ TYR A 48 -3.001 11.598 6.095 1.00 1.09 C ATOM 446 OH TYR A 48 -3.285 12.811 6.682 1.00 1.28 O ATOM 0 H TYR A 48 -0.789 8.771 2.228 1.00 0.49 H new ATOM 0 HA TYR A 48 -0.045 7.864 4.920 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.635 7.724 3.341 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.413 7.017 4.929 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -3.015 10.094 3.088 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -1.892 8.528 6.887 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -3.531 12.256 4.133 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -2.413 10.685 7.933 1.00 1.43 H new ATOM 0 HH TYR A 48 -3.112 12.757 7.645 1.00 1.28 H new ATOM 456 N LEU A 49 0.734 5.671 4.217 1.00 0.46 N ATOM 457 CA LEU A 49 1.174 4.317 3.935 1.00 0.46 C ATOM 458 C LEU A 49 0.692 3.374 5.031 1.00 0.50 C ATOM 459 O LEU A 49 0.891 3.638 6.217 1.00 0.61 O ATOM 460 CB LEU A 49 2.706 4.283 3.846 1.00 0.66 C ATOM 461 CG LEU A 49 3.340 2.908 3.614 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.686 2.708 2.145 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.583 2.747 4.473 1.00 1.35 C ATOM 0 H LEU A 49 1.262 6.134 4.957 1.00 0.46 H new ATOM 0 HA LEU A 49 0.753 3.992 2.984 1.00 0.46 H new ATOM 0 HB2 LEU A 49 3.017 4.944 3.037 1.00 0.66 H new ATOM 0 HB3 LEU A 49 3.112 4.696 4.769 1.00 0.66 H new ATOM 0 HG LEU A 49 2.613 2.148 3.900 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.135 1.724 2.008 1.00 1.76 H new ATOM 0 HD12 LEU A 49 2.779 2.780 1.544 1.00 1.76 H new ATOM 0 HD13 LEU A 49 4.392 3.476 1.830 1.00 1.76 H new ATOM 0 HD21 LEU A 49 5.022 1.765 4.297 1.00 1.35 H new ATOM 0 HD22 LEU A 49 5.307 3.520 4.214 1.00 1.35 H new ATOM 0 HD23 LEU A 49 4.313 2.840 5.525 1.00 1.35 H new ATOM 475 N LEU A 50 0.040 2.297 4.631 1.00 0.52 N ATOM 476 CA LEU A 50 -0.420 1.285 5.568 1.00 0.63 C ATOM 477 C LEU A 50 0.510 0.082 5.529 1.00 0.69 C ATOM 478 O LEU A 50 0.830 -0.424 4.454 1.00 0.69 O ATOM 479 CB LEU A 50 -1.854 0.848 5.254 1.00 0.77 C ATOM 480 CG LEU A 50 -2.948 1.858 5.628 1.00 0.81 C ATOM 481 CD1 LEU A 50 -2.953 3.045 4.679 1.00 1.24 C ATOM 482 CD2 LEU A 50 -4.311 1.182 5.644 1.00 1.48 C ATOM 0 H LEU A 50 -0.185 2.099 3.656 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.410 1.719 6.568 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -1.926 0.639 4.187 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.053 -0.088 5.777 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.730 2.233 6.628 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.739 3.741 4.971 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -1.987 3.549 4.722 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -3.136 2.697 3.662 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -5.076 1.911 5.911 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.527 0.775 4.656 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -4.308 0.375 6.376 1.00 1.48 H new ATOM 494 N THR A 51 0.974 -0.348 6.690 1.00 0.85 N ATOM 495 CA THR A 51 1.804 -1.535 6.782 1.00 1.00 C ATOM 496 C THR A 51 1.288 -2.427 7.900 1.00 1.38 C ATOM 497 O THR A 51 1.617 -2.231 9.072 1.00 2.04 O ATOM 498 CB THR A 51 3.278 -1.165 7.063 1.00 1.42 C ATOM 499 OG1 THR A 51 3.682 -0.054 6.244 1.00 1.86 O ATOM 500 CG2 THR A 51 4.198 -2.348 6.803 1.00 2.07 C ATOM 0 H THR A 51 0.789 0.109 7.583 1.00 0.85 H new ATOM 0 HA THR A 51 1.757 -2.061 5.828 1.00 1.00 H new ATOM 0 HB THR A 51 3.355 -0.886 8.114 1.00 1.42 H new ATOM 0 HG1 THR A 51 4.617 0.170 6.434 1.00 1.86 H new ATOM 0 HG21 THR A 51 5.229 -2.059 7.009 1.00 2.07 H new ATOM 0 HG22 THR A 51 3.917 -3.177 7.452 1.00 2.07 H new ATOM 0 HG23 THR A 51 4.109 -2.656 5.761 1.00 2.07 H new ATOM 508 N LEU A 52 0.482 -3.405 7.524 1.00 1.17 N ATOM 509 CA LEU A 52 -0.143 -4.313 8.474 1.00 1.66 C ATOM 510 C LEU A 52 -0.830 -5.449 7.724 1.00 1.10 C ATOM 511 O LEU A 52 -1.246 -5.265 6.587 1.00 1.25 O ATOM 512 CB LEU A 52 -1.120 -3.544 9.396 1.00 2.63 C ATOM 513 CG LEU A 52 -1.767 -2.295 8.791 1.00 2.95 C ATOM 514 CD1 LEU A 52 -3.046 -2.644 8.057 1.00 3.41 C ATOM 515 CD2 LEU A 52 -2.035 -1.258 9.872 1.00 3.43 C ATOM 0 H LEU A 52 0.241 -3.593 6.551 1.00 1.17 H new ATOM 0 HA LEU A 52 0.620 -4.753 9.116 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.912 -4.227 9.704 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -0.583 -3.251 10.298 1.00 2.63 H new ATOM 0 HG LEU A 52 -1.071 -1.870 8.068 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -3.484 -1.738 7.638 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -2.824 -3.346 7.253 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.751 -3.100 8.752 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -2.495 -0.377 9.425 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -2.707 -1.678 10.620 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -1.095 -0.976 10.346 1.00 3.43 H new ATOM 527 N GLU A 53 -0.891 -6.627 8.346 1.00 1.35 N ATOM 528 CA GLU A 53 -1.434 -7.833 7.711 1.00 1.60 C ATOM 529 C GLU A 53 -2.742 -7.574 6.953 1.00 1.84 C ATOM 530 O GLU A 53 -2.829 -7.840 5.755 1.00 2.34 O ATOM 531 CB GLU A 53 -1.653 -8.913 8.767 1.00 2.04 C ATOM 532 CG GLU A 53 -0.411 -9.211 9.590 1.00 2.24 C ATOM 533 CD GLU A 53 0.769 -9.611 8.733 1.00 2.43 C ATOM 534 OE1 GLU A 53 0.785 -10.757 8.240 1.00 2.97 O ATOM 535 OE2 GLU A 53 1.688 -8.782 8.549 1.00 2.75 O ATOM 0 H GLU A 53 -0.567 -6.774 9.302 1.00 1.35 H new ATOM 0 HA GLU A 53 -0.702 -8.164 6.974 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -2.456 -8.601 9.435 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -1.984 -9.829 8.277 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -0.148 -8.331 10.177 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -0.631 -10.011 10.297 1.00 2.24 H new ATOM 542 N THR A 54 -3.764 -7.105 7.654 1.00 1.76 N ATOM 543 CA THR A 54 -5.027 -6.773 7.010 1.00 1.96 C ATOM 544 C THR A 54 -5.275 -5.267 7.036 1.00 1.44 C ATOM 545 O THR A 54 -5.505 -4.683 8.098 1.00 1.41 O ATOM 546 CB THR A 54 -6.212 -7.525 7.651 1.00 2.58 C ATOM 547 OG1 THR A 54 -6.152 -7.442 9.083 1.00 2.85 O ATOM 548 CG2 THR A 54 -6.212 -8.985 7.224 1.00 3.30 C ATOM 0 H THR A 54 -3.745 -6.947 8.661 1.00 1.76 H new ATOM 0 HA THR A 54 -4.952 -7.095 5.971 1.00 1.96 H new ATOM 0 HB THR A 54 -7.133 -7.053 7.308 1.00 2.58 H new ATOM 0 HG1 THR A 54 -5.951 -6.521 9.349 1.00 2.85 H new ATOM 0 HG21 THR A 54 -7.055 -9.499 7.686 1.00 3.30 H new ATOM 0 HG22 THR A 54 -6.300 -9.047 6.139 1.00 3.30 H new ATOM 0 HG23 THR A 54 -5.282 -9.457 7.540 1.00 3.30 H new ATOM 556 N ASP A 55 -5.211 -4.642 5.866 1.00 1.58 N ATOM 557 CA ASP A 55 -5.356 -3.188 5.759 1.00 1.57 C ATOM 558 C ASP A 55 -6.818 -2.761 5.698 1.00 1.40 C ATOM 559 O ASP A 55 -7.124 -1.582 5.860 1.00 1.25 O ATOM 560 CB ASP A 55 -4.640 -2.649 4.510 1.00 2.38 C ATOM 561 CG ASP A 55 -3.231 -3.181 4.353 1.00 3.04 C ATOM 562 OD1 ASP A 55 -3.080 -4.296 3.811 1.00 3.66 O ATOM 563 OD2 ASP A 55 -2.279 -2.479 4.759 1.00 3.51 O ATOM 0 H ASP A 55 -5.060 -5.116 4.976 1.00 1.58 H new ATOM 0 HA ASP A 55 -4.901 -2.771 6.658 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -5.221 -2.910 3.625 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -4.607 -1.561 4.560 1.00 2.38 H new ATOM 568 N ASP A 56 -7.712 -3.725 5.500 1.00 1.62 N ATOM 569 CA ASP A 56 -9.116 -3.440 5.175 1.00 1.72 C ATOM 570 C ASP A 56 -9.778 -2.446 6.135 1.00 1.47 C ATOM 571 O ASP A 56 -10.288 -1.415 5.697 1.00 1.48 O ATOM 572 CB ASP A 56 -9.933 -4.737 5.104 1.00 2.15 C ATOM 573 CG ASP A 56 -9.910 -5.553 6.385 1.00 2.43 C ATOM 574 OD1 ASP A 56 -10.899 -5.514 7.143 1.00 2.98 O ATOM 575 OD2 ASP A 56 -8.907 -6.255 6.628 1.00 2.88 O ATOM 0 H ASP A 56 -7.492 -4.719 5.558 1.00 1.62 H new ATOM 0 HA ASP A 56 -9.105 -2.963 4.195 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -10.967 -4.490 4.861 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -9.551 -5.350 4.288 1.00 2.15 H new ATOM 580 N LYS A 57 -9.763 -2.733 7.430 1.00 1.39 N ATOM 581 CA LYS A 57 -10.463 -1.887 8.391 1.00 1.42 C ATOM 582 C LYS A 57 -9.733 -0.555 8.580 1.00 1.20 C ATOM 583 O LYS A 57 -10.358 0.482 8.814 1.00 1.27 O ATOM 584 CB LYS A 57 -10.628 -2.627 9.727 1.00 1.57 C ATOM 585 CG LYS A 57 -11.709 -2.038 10.624 1.00 1.98 C ATOM 586 CD LYS A 57 -11.194 -0.875 11.454 1.00 2.71 C ATOM 587 CE LYS A 57 -12.335 -0.033 11.995 1.00 3.40 C ATOM 588 NZ LYS A 57 -12.973 0.784 10.927 1.00 4.03 N ATOM 0 H LYS A 57 -9.281 -3.534 7.837 1.00 1.39 H new ATOM 0 HA LYS A 57 -11.456 -1.663 8.000 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -10.864 -3.672 9.527 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -9.678 -2.612 10.260 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -12.545 -1.702 10.010 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -12.092 -2.814 11.287 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -10.595 -1.254 12.282 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -10.538 -0.253 10.845 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -13.082 -0.683 12.451 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -11.962 0.624 12.781 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -13.736 1.358 11.338 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -12.262 1.410 10.497 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -13.367 0.156 10.198 1.00 4.03 H new ATOM 602 N LYS A 58 -8.413 -0.582 8.445 1.00 1.07 N ATOM 603 CA LYS A 58 -7.607 0.621 8.610 1.00 1.04 C ATOM 604 C LYS A 58 -7.862 1.581 7.454 1.00 0.88 C ATOM 605 O LYS A 58 -7.946 2.797 7.642 1.00 0.87 O ATOM 606 CB LYS A 58 -6.113 0.279 8.686 1.00 1.18 C ATOM 607 CG LYS A 58 -5.707 -0.538 9.909 1.00 1.64 C ATOM 608 CD LYS A 58 -6.161 -1.988 9.811 1.00 2.25 C ATOM 609 CE LYS A 58 -5.560 -2.838 10.917 1.00 2.61 C ATOM 610 NZ LYS A 58 -5.934 -4.270 10.783 1.00 2.99 N ATOM 0 H LYS A 58 -7.879 -1.422 8.222 1.00 1.07 H new ATOM 0 HA LYS A 58 -7.896 1.098 9.547 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -5.835 -0.273 7.788 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -5.541 1.207 8.680 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -4.623 -0.506 10.022 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -6.134 -0.085 10.804 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -7.249 -2.034 9.866 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -5.874 -2.395 8.842 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -4.474 -2.743 10.898 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -5.895 -2.464 11.884 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -5.183 -4.864 11.189 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -6.825 -4.445 11.289 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -6.056 -4.504 9.777 1.00 2.99 H new ATOM 624 N ILE A 59 -7.998 1.014 6.258 1.00 0.83 N ATOM 625 CA ILE A 59 -8.300 1.786 5.063 1.00 0.80 C ATOM 626 C ILE A 59 -9.612 2.545 5.222 1.00 0.74 C ATOM 627 O ILE A 59 -9.711 3.696 4.806 1.00 0.78 O ATOM 628 CB ILE A 59 -8.368 0.877 3.813 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.969 0.384 3.436 1.00 1.12 C ATOM 630 CG2 ILE A 59 -9.004 1.608 2.636 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.987 -0.756 2.443 1.00 1.33 C ATOM 0 H ILE A 59 -7.902 0.012 6.094 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.492 2.505 4.926 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.992 0.017 4.056 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.399 1.213 3.017 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.448 0.063 4.338 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -9.039 0.945 1.772 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -10.017 1.912 2.901 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -8.412 2.490 2.393 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.964 -1.059 2.218 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.530 -1.600 2.868 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.480 -0.432 1.526 1.00 1.33 H new ATOM 643 N GLU A 60 -10.604 1.906 5.846 1.00 0.77 N ATOM 644 CA GLU A 60 -11.909 2.533 6.055 1.00 0.87 C ATOM 645 C GLU A 60 -11.756 3.914 6.672 1.00 0.85 C ATOM 646 O GLU A 60 -12.252 4.907 6.136 1.00 0.94 O ATOM 647 CB GLU A 60 -12.791 1.693 6.977 1.00 1.04 C ATOM 648 CG GLU A 60 -13.052 0.281 6.493 1.00 1.32 C ATOM 649 CD GLU A 60 -14.128 -0.400 7.309 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.075 -0.958 6.709 1.00 1.96 O ATOM 651 OE2 GLU A 60 -14.059 -0.348 8.560 1.00 2.01 O ATOM 0 H GLU A 60 -10.528 0.958 6.214 1.00 0.77 H new ATOM 0 HA GLU A 60 -12.379 2.612 5.075 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.322 1.644 7.960 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.747 2.201 7.104 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -13.350 0.305 5.445 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -12.131 -0.299 6.549 1.00 1.32 H new ATOM 658 N ASP A 61 -11.054 3.963 7.793 1.00 0.82 N ATOM 659 CA ASP A 61 -10.903 5.195 8.554 1.00 0.88 C ATOM 660 C ASP A 61 -9.998 6.190 7.837 1.00 0.79 C ATOM 661 O ASP A 61 -10.342 7.366 7.706 1.00 0.83 O ATOM 662 CB ASP A 61 -10.352 4.892 9.948 1.00 0.99 C ATOM 663 CG ASP A 61 -11.310 4.056 10.773 1.00 1.55 C ATOM 664 OD1 ASP A 61 -11.193 2.813 10.759 1.00 2.27 O ATOM 665 OD2 ASP A 61 -12.194 4.640 11.437 1.00 2.05 O ATOM 0 H ASP A 61 -10.576 3.158 8.199 1.00 0.82 H new ATOM 0 HA ASP A 61 -11.889 5.649 8.649 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -9.402 4.367 9.855 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -10.149 5.828 10.468 1.00 0.99 H new ATOM 670 N ILE A 62 -8.853 5.720 7.359 1.00 0.72 N ATOM 671 CA ILE A 62 -7.882 6.596 6.710 1.00 0.69 C ATOM 672 C ILE A 62 -8.436 7.166 5.403 1.00 0.68 C ATOM 673 O ILE A 62 -8.371 8.370 5.169 1.00 0.73 O ATOM 674 CB ILE A 62 -6.547 5.868 6.444 1.00 0.73 C ATOM 675 CG1 ILE A 62 -5.940 5.393 7.770 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.574 6.781 5.707 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.641 4.634 7.614 1.00 0.93 C ATOM 0 H ILE A 62 -8.573 4.740 7.407 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.690 7.421 7.397 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.740 5.000 5.813 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.769 6.258 8.410 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.662 4.756 8.281 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.639 6.249 5.529 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -6.008 7.081 4.753 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.378 7.667 6.311 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.276 4.332 8.596 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.808 3.748 7.001 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -3.901 5.274 7.132 1.00 0.93 H new ATOM 689 N LEU A 63 -9.010 6.304 4.575 1.00 0.68 N ATOM 690 CA LEU A 63 -9.600 6.734 3.302 1.00 0.76 C ATOM 691 C LEU A 63 -10.757 7.700 3.545 1.00 0.84 C ATOM 692 O LEU A 63 -10.939 8.664 2.801 1.00 0.94 O ATOM 693 CB LEU A 63 -10.072 5.519 2.478 1.00 0.85 C ATOM 694 CG LEU A 63 -11.138 5.813 1.413 1.00 1.23 C ATOM 695 CD1 LEU A 63 -10.551 6.615 0.264 1.00 1.57 C ATOM 696 CD2 LEU A 63 -11.769 4.525 0.899 1.00 1.89 C ATOM 0 H LEU A 63 -9.083 5.303 4.756 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.832 7.254 2.730 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -9.205 5.077 1.986 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.466 4.769 3.164 1.00 0.85 H new ATOM 0 HG LEU A 63 -11.920 6.410 1.882 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -11.326 6.810 -0.477 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -10.163 7.561 0.641 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -9.742 6.050 -0.198 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -12.520 4.763 0.146 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -10.999 3.894 0.456 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -12.240 3.995 1.727 1.00 1.89 H new ATOM 708 N LYS A 64 -11.522 7.456 4.604 1.00 0.89 N ATOM 709 CA LYS A 64 -12.627 8.338 4.962 1.00 1.05 C ATOM 710 C LYS A 64 -12.093 9.698 5.401 1.00 1.03 C ATOM 711 O LYS A 64 -12.779 10.715 5.302 1.00 1.13 O ATOM 712 CB LYS A 64 -13.466 7.724 6.083 1.00 1.22 C ATOM 713 CG LYS A 64 -14.751 8.482 6.366 1.00 1.64 C ATOM 714 CD LYS A 64 -15.536 7.850 7.500 1.00 2.17 C ATOM 715 CE LYS A 64 -16.880 8.534 7.696 1.00 2.87 C ATOM 716 NZ LYS A 64 -17.713 8.488 6.463 1.00 3.41 N ATOM 0 H LYS A 64 -11.398 6.658 5.227 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.260 8.468 4.084 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.711 6.695 5.820 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -12.868 7.686 6.994 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.516 9.516 6.618 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -15.366 8.505 5.466 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -15.692 6.792 7.290 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -14.958 7.910 8.422 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -17.416 8.053 8.514 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.720 9.572 7.987 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -18.706 8.678 6.707 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.378 9.207 5.791 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -17.638 7.546 6.028 1.00 3.41 H new ATOM 730 N SER A 65 -10.859 9.704 5.883 1.00 0.97 N ATOM 731 CA SER A 65 -10.215 10.931 6.309 1.00 1.06 C ATOM 732 C SER A 65 -9.712 11.713 5.097 1.00 1.03 C ATOM 733 O SER A 65 -9.666 12.944 5.118 1.00 1.13 O ATOM 734 CB SER A 65 -9.069 10.612 7.267 1.00 1.18 C ATOM 735 OG SER A 65 -9.526 9.813 8.350 1.00 1.65 O ATOM 0 H SER A 65 -10.284 8.868 5.988 1.00 0.97 H new ATOM 0 HA SER A 65 -10.941 11.552 6.835 1.00 1.06 H new ATOM 0 HB2 SER A 65 -8.276 10.089 6.732 1.00 1.18 H new ATOM 0 HB3 SER A 65 -8.639 11.538 7.648 1.00 1.18 H new ATOM 0 HG SER A 65 -9.653 8.890 8.045 1.00 1.65 H new ATOM 741 N LEU A 66 -9.334 10.996 4.042 1.00 0.97 N ATOM 742 CA LEU A 66 -8.981 11.639 2.780 1.00 1.05 C ATOM 743 C LEU A 66 -10.233 12.156 2.079 1.00 1.20 C ATOM 744 O LEU A 66 -10.244 13.273 1.559 1.00 1.55 O ATOM 745 CB LEU A 66 -8.227 10.676 1.848 1.00 1.00 C ATOM 746 CG LEU A 66 -6.709 10.565 2.064 1.00 1.09 C ATOM 747 CD1 LEU A 66 -6.036 11.920 1.899 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.393 9.976 3.427 1.00 1.38 C ATOM 0 H LEU A 66 -9.265 9.978 4.035 1.00 0.97 H new ATOM 0 HA LEU A 66 -8.323 12.476 3.011 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.662 9.683 1.959 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -8.404 10.988 0.819 1.00 1.00 H new ATOM 0 HG LEU A 66 -6.314 9.892 1.303 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.963 11.815 2.057 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -6.220 12.297 0.893 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.443 12.620 2.629 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.312 9.909 3.553 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.810 10.615 4.205 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -6.830 8.980 3.503 1.00 1.38 H new ATOM 760 N GLY A 67 -11.292 11.351 2.089 1.00 1.07 N ATOM 761 CA GLY A 67 -12.562 11.773 1.525 1.00 1.26 C ATOM 762 C GLY A 67 -12.799 11.211 0.137 1.00 1.22 C ATOM 763 O GLY A 67 -13.209 10.055 -0.002 1.00 1.28 O ATOM 0 H GLY A 67 -11.292 10.409 2.480 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -13.371 11.457 2.184 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -12.593 12.862 1.482 1.00 1.26 H new ATOM 767 N PRO A 68 -12.552 12.017 -0.911 1.00 1.24 N ATOM 768 CA PRO A 68 -12.722 11.605 -2.314 1.00 1.29 C ATOM 769 C PRO A 68 -11.898 10.374 -2.681 1.00 1.15 C ATOM 770 O PRO A 68 -10.971 9.997 -1.961 1.00 0.99 O ATOM 771 CB PRO A 68 -12.213 12.814 -3.111 1.00 1.41 C ATOM 772 CG PRO A 68 -11.446 13.638 -2.139 1.00 1.56 C ATOM 773 CD PRO A 68 -12.099 13.411 -0.814 1.00 1.35 C ATOM 0 HA PRO A 68 -13.757 11.331 -2.517 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -11.582 12.499 -3.942 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -13.041 13.380 -3.537 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -10.398 13.341 -2.115 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -11.472 14.693 -2.413 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -11.401 13.553 0.011 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -12.931 14.096 -0.650 1.00 1.35 H new ATOM 781 N PRO A 69 -12.238 9.725 -3.814 1.00 1.30 N ATOM 782 CA PRO A 69 -11.477 8.588 -4.334 1.00 1.26 C ATOM 783 C PRO A 69 -10.017 8.950 -4.570 1.00 1.05 C ATOM 784 O PRO A 69 -9.661 9.548 -5.589 1.00 1.17 O ATOM 785 CB PRO A 69 -12.167 8.262 -5.663 1.00 1.53 C ATOM 786 CG PRO A 69 -13.537 8.826 -5.532 1.00 1.89 C ATOM 787 CD PRO A 69 -13.399 10.043 -4.665 1.00 1.58 C ATOM 0 HA PRO A 69 -11.465 7.750 -3.637 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -11.635 8.707 -6.504 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.198 7.187 -5.839 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -13.947 9.086 -6.508 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -14.216 8.102 -5.083 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -13.229 10.942 -5.258 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -14.297 10.218 -4.072 1.00 1.58 H new ATOM 795 N VAL A 70 -9.187 8.588 -3.613 1.00 0.85 N ATOM 796 CA VAL A 70 -7.762 8.855 -3.669 1.00 0.67 C ATOM 797 C VAL A 70 -7.044 7.669 -4.318 1.00 0.60 C ATOM 798 O VAL A 70 -7.541 6.542 -4.284 1.00 0.66 O ATOM 799 CB VAL A 70 -7.219 9.137 -2.236 1.00 0.62 C ATOM 800 CG1 VAL A 70 -7.577 8.007 -1.287 1.00 0.99 C ATOM 801 CG2 VAL A 70 -5.721 9.372 -2.242 1.00 1.08 C ATOM 0 H VAL A 70 -9.483 8.097 -2.769 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.575 9.740 -4.277 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.698 10.050 -1.882 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -7.186 8.228 -0.294 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -8.661 7.904 -1.236 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -7.141 7.076 -1.649 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -5.379 9.565 -1.225 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -5.216 8.489 -2.633 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -5.490 10.231 -2.872 1.00 1.08 H new ATOM 811 N LYS A 71 -5.898 7.930 -4.933 1.00 0.55 N ATOM 812 CA LYS A 71 -5.197 6.915 -5.708 1.00 0.54 C ATOM 813 C LYS A 71 -4.436 5.959 -4.798 1.00 0.43 C ATOM 814 O LYS A 71 -3.679 6.384 -3.924 1.00 0.41 O ATOM 815 CB LYS A 71 -4.241 7.577 -6.701 1.00 0.65 C ATOM 816 CG LYS A 71 -4.921 8.603 -7.594 1.00 1.27 C ATOM 817 CD LYS A 71 -3.961 9.190 -8.615 1.00 1.74 C ATOM 818 CE LYS A 71 -3.584 8.179 -9.688 1.00 2.14 C ATOM 819 NZ LYS A 71 -4.759 7.757 -10.499 1.00 2.53 N ATOM 0 H LYS A 71 -5.433 8.838 -4.910 1.00 0.55 H new ATOM 0 HA LYS A 71 -5.938 6.337 -6.260 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -3.434 8.061 -6.151 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.785 6.808 -7.324 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -5.759 8.136 -8.111 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.332 9.404 -6.979 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -4.418 10.062 -9.083 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -3.059 9.535 -8.109 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -2.828 8.612 -10.344 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -3.135 7.304 -9.219 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -4.431 7.308 -11.378 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -5.330 7.078 -9.956 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -5.338 8.589 -10.730 1.00 2.53 H new ATOM 833 N ILE A 72 -4.650 4.669 -5.012 1.00 0.45 N ATOM 834 CA ILE A 72 -4.040 3.643 -4.185 1.00 0.43 C ATOM 835 C ILE A 72 -2.959 2.886 -4.948 1.00 0.41 C ATOM 836 O ILE A 72 -3.171 2.435 -6.078 1.00 0.50 O ATOM 837 CB ILE A 72 -5.085 2.625 -3.672 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.169 3.332 -2.859 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.412 1.544 -2.831 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.212 2.391 -2.294 1.00 1.00 C ATOM 0 H ILE A 72 -5.246 4.308 -5.757 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.595 4.159 -3.335 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.553 2.151 -4.535 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -5.700 3.876 -2.039 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.662 4.071 -3.491 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.163 0.837 -2.479 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -3.674 1.018 -3.437 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -3.917 2.004 -1.976 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.949 2.962 -1.729 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.708 1.865 -3.110 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.731 1.668 -1.636 1.00 1.00 H new ATOM 852 N LEU A 73 -1.804 2.762 -4.318 1.00 0.37 N ATOM 853 CA LEU A 73 -0.724 1.928 -4.824 1.00 0.37 C ATOM 854 C LEU A 73 -0.439 0.836 -3.798 1.00 0.37 C ATOM 855 O LEU A 73 -0.296 1.120 -2.611 1.00 0.46 O ATOM 856 CB LEU A 73 0.534 2.770 -5.097 1.00 0.43 C ATOM 857 CG LEU A 73 1.793 1.979 -5.452 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.740 1.491 -6.889 1.00 1.06 C ATOM 859 CD2 LEU A 73 3.032 2.824 -5.213 1.00 1.22 C ATOM 0 H LEU A 73 -1.587 3.236 -3.441 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.019 1.474 -5.770 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.318 3.460 -5.913 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.743 3.375 -4.215 1.00 0.43 H new ATOM 0 HG LEU A 73 1.843 1.104 -4.804 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.647 0.931 -7.117 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.872 0.845 -7.022 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.663 2.346 -7.561 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.921 2.248 -5.470 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.988 3.719 -5.834 1.00 1.22 H new ATOM 0 HD23 LEU A 73 3.078 3.113 -4.163 1.00 1.22 H new ATOM 871 N VAL A 74 -0.392 -0.411 -4.240 1.00 0.40 N ATOM 872 CA VAL A 74 -0.243 -1.526 -3.316 1.00 0.40 C ATOM 873 C VAL A 74 1.045 -2.299 -3.576 1.00 0.39 C ATOM 874 O VAL A 74 1.306 -2.741 -4.699 1.00 0.47 O ATOM 875 CB VAL A 74 -1.441 -2.498 -3.405 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.323 -3.614 -2.376 1.00 1.30 C ATOM 877 CG2 VAL A 74 -2.755 -1.751 -3.236 1.00 1.16 C ATOM 0 H VAL A 74 -0.454 -0.676 -5.223 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.205 -1.097 -2.315 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.428 -2.952 -4.396 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.180 -4.282 -2.463 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.406 -4.176 -2.552 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.298 -3.184 -1.375 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.585 -2.455 -3.302 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -2.772 -1.260 -2.263 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -2.851 -1.002 -4.022 1.00 1.16 H new ATOM 887 N LEU A 75 1.838 -2.450 -2.527 1.00 0.38 N ATOM 888 CA LEU A 75 3.071 -3.216 -2.585 1.00 0.38 C ATOM 889 C LEU A 75 2.829 -4.595 -1.984 1.00 0.35 C ATOM 890 O LEU A 75 2.725 -4.753 -0.764 1.00 0.43 O ATOM 891 CB LEU A 75 4.202 -2.500 -1.831 1.00 0.48 C ATOM 892 CG LEU A 75 4.798 -1.246 -2.509 1.00 0.80 C ATOM 893 CD1 LEU A 75 3.746 -0.175 -2.780 1.00 1.67 C ATOM 894 CD2 LEU A 75 5.908 -0.673 -1.649 1.00 1.65 C ATOM 0 H LEU A 75 1.644 -2.044 -1.611 1.00 0.38 H new ATOM 0 HA LEU A 75 3.377 -3.315 -3.627 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.828 -2.211 -0.849 1.00 0.48 H new ATOM 0 HB3 LEU A 75 5.008 -3.215 -1.667 1.00 0.48 H new ATOM 0 HG LEU A 75 5.198 -1.558 -3.474 1.00 0.80 H new ATOM 0 HD11 LEU A 75 4.217 0.685 -3.257 1.00 1.67 H new ATOM 0 HD12 LEU A 75 2.977 -0.579 -3.438 1.00 1.67 H new ATOM 0 HD13 LEU A 75 3.292 0.136 -1.839 1.00 1.67 H new ATOM 0 HD21 LEU A 75 6.324 0.211 -2.133 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.507 -0.398 -0.673 1.00 1.65 H new ATOM 0 HD23 LEU A 75 6.692 -1.420 -1.522 1.00 1.65 H new ATOM 906 N LEU A 76 2.727 -5.580 -2.853 1.00 0.34 N ATOM 907 CA LEU A 76 2.341 -6.924 -2.461 1.00 0.42 C ATOM 908 C LEU A 76 3.573 -7.817 -2.313 1.00 0.41 C ATOM 909 O LEU A 76 4.168 -8.213 -3.314 1.00 0.48 O ATOM 910 CB LEU A 76 1.409 -7.486 -3.548 1.00 0.55 C ATOM 911 CG LEU A 76 0.137 -8.202 -3.081 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.462 -9.524 -2.415 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.679 -7.310 -2.160 1.00 1.76 C ATOM 0 H LEU A 76 2.909 -5.473 -3.851 1.00 0.34 H new ATOM 0 HA LEU A 76 1.831 -6.898 -1.498 1.00 0.42 H new ATOM 0 HB2 LEU A 76 1.113 -6.662 -4.198 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.984 -8.183 -4.158 1.00 0.55 H new ATOM 0 HG LEU A 76 -0.467 -8.418 -3.962 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -0.461 -10.007 -2.095 1.00 1.52 H new ATOM 0 HD12 LEU A 76 0.983 -10.169 -3.122 1.00 1.52 H new ATOM 0 HD13 LEU A 76 1.098 -9.348 -1.548 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -1.577 -7.840 -1.842 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.083 -7.048 -1.286 1.00 1.76 H new ATOM 0 HD23 LEU A 76 -0.963 -6.402 -2.691 1.00 1.76 H new ATOM 925 N GLU A 77 3.976 -8.128 -1.079 1.00 0.46 N ATOM 926 CA GLU A 77 5.087 -9.048 -0.889 1.00 0.49 C ATOM 927 C GLU A 77 4.650 -10.470 -1.226 1.00 0.49 C ATOM 928 O GLU A 77 3.625 -10.950 -0.736 1.00 0.59 O ATOM 929 CB GLU A 77 5.637 -8.982 0.538 1.00 0.61 C ATOM 930 CG GLU A 77 6.733 -10.005 0.799 1.00 0.63 C ATOM 931 CD GLU A 77 7.486 -9.761 2.087 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.624 -9.249 2.020 1.00 1.71 O ATOM 933 OE2 GLU A 77 6.958 -10.092 3.169 1.00 1.74 O ATOM 0 H GLU A 77 3.560 -7.765 -0.221 1.00 0.46 H new ATOM 0 HA GLU A 77 5.890 -8.750 -1.564 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.029 -7.982 0.725 1.00 0.61 H new ATOM 0 HB3 GLU A 77 4.822 -9.142 1.244 1.00 0.61 H new ATOM 0 HG2 GLU A 77 6.291 -11.001 0.828 1.00 0.63 H new ATOM 0 HG3 GLU A 77 7.437 -9.993 -0.033 1.00 0.63 H new ATOM 940 N ASP A 78 5.430 -11.137 -2.069 1.00 0.54 N ATOM 941 CA ASP A 78 5.092 -12.480 -2.530 1.00 0.61 C ATOM 942 C ASP A 78 5.299 -13.505 -1.420 1.00 0.63 C ATOM 943 O ASP A 78 6.369 -14.096 -1.287 1.00 0.72 O ATOM 944 CB ASP A 78 5.940 -12.844 -3.753 1.00 0.77 C ATOM 945 CG ASP A 78 5.678 -14.251 -4.258 1.00 1.06 C ATOM 946 OD1 ASP A 78 6.522 -15.140 -4.026 1.00 1.59 O ATOM 947 OD2 ASP A 78 4.632 -14.474 -4.899 1.00 1.85 O ATOM 0 H ASP A 78 6.303 -10.769 -2.448 1.00 0.54 H new ATOM 0 HA ASP A 78 4.039 -12.492 -2.811 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.737 -12.133 -4.554 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.995 -12.746 -3.499 1.00 0.77 H new ATOM 952 N THR A 79 4.275 -13.675 -0.605 1.00 0.61 N ATOM 953 CA THR A 79 4.275 -14.691 0.428 1.00 0.72 C ATOM 954 C THR A 79 3.211 -15.746 0.115 1.00 0.78 C ATOM 955 O THR A 79 2.373 -15.525 -0.762 1.00 0.84 O ATOM 956 CB THR A 79 4.017 -14.056 1.810 1.00 0.77 C ATOM 957 OG1 THR A 79 4.742 -12.819 1.909 1.00 1.04 O ATOM 958 CG2 THR A 79 4.455 -14.981 2.937 1.00 1.20 C ATOM 0 H THR A 79 3.423 -13.115 -0.641 1.00 0.61 H new ATOM 0 HA THR A 79 5.253 -15.171 0.452 1.00 0.72 H new ATOM 0 HB THR A 79 2.946 -13.879 1.907 1.00 0.77 H new ATOM 0 HG1 THR A 79 4.145 -12.116 2.240 1.00 1.04 H new ATOM 0 HG21 THR A 79 4.259 -14.503 3.897 1.00 1.20 H new ATOM 0 HG22 THR A 79 3.898 -15.916 2.877 1.00 1.20 H new ATOM 0 HG23 THR A 79 5.521 -15.187 2.845 1.00 1.20 H new ATOM 966 N LYS A 80 3.230 -16.875 0.809 1.00 0.84 N ATOM 967 CA LYS A 80 2.206 -17.903 0.619 1.00 0.92 C ATOM 968 C LYS A 80 0.805 -17.346 0.889 1.00 0.88 C ATOM 969 O LYS A 80 -0.160 -17.692 0.207 1.00 0.90 O ATOM 970 CB LYS A 80 2.483 -19.103 1.529 1.00 1.09 C ATOM 971 CG LYS A 80 2.595 -18.745 3.003 1.00 1.65 C ATOM 972 CD LYS A 80 2.937 -19.959 3.846 1.00 2.05 C ATOM 973 CE LYS A 80 3.046 -19.598 5.318 1.00 3.00 C ATOM 974 NZ LYS A 80 3.437 -20.765 6.149 1.00 3.57 N ATOM 0 H LYS A 80 3.938 -17.106 1.506 1.00 0.84 H new ATOM 0 HA LYS A 80 2.245 -18.229 -0.420 1.00 0.92 H new ATOM 0 HB2 LYS A 80 1.685 -19.835 1.402 1.00 1.09 H new ATOM 0 HB3 LYS A 80 3.408 -19.582 1.210 1.00 1.09 H new ATOM 0 HG2 LYS A 80 3.361 -17.981 3.136 1.00 1.65 H new ATOM 0 HG3 LYS A 80 1.654 -18.316 3.347 1.00 1.65 H new ATOM 0 HD2 LYS A 80 2.172 -20.724 3.713 1.00 2.05 H new ATOM 0 HD3 LYS A 80 3.879 -20.388 3.504 1.00 2.05 H new ATOM 0 HE2 LYS A 80 3.780 -18.802 5.443 1.00 3.00 H new ATOM 0 HE3 LYS A 80 2.090 -19.208 5.667 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 3.500 -20.476 7.146 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 2.724 -21.516 6.051 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 4.361 -21.122 5.833 1.00 3.57 H new ATOM 988 N ASP A 81 0.713 -16.459 1.873 1.00 0.90 N ATOM 989 CA ASP A 81 -0.566 -15.894 2.288 1.00 0.93 C ATOM 990 C ASP A 81 -1.082 -14.868 1.287 1.00 0.83 C ATOM 991 O ASP A 81 -2.276 -14.596 1.242 1.00 0.82 O ATOM 992 CB ASP A 81 -0.457 -15.258 3.673 1.00 1.08 C ATOM 993 CG ASP A 81 -0.170 -16.275 4.755 1.00 1.46 C ATOM 994 OD1 ASP A 81 -1.128 -16.902 5.260 1.00 2.24 O ATOM 995 OD2 ASP A 81 1.013 -16.448 5.110 1.00 2.00 O ATOM 0 H ASP A 81 1.514 -16.114 2.401 1.00 0.90 H new ATOM 0 HA ASP A 81 -1.280 -16.717 2.329 1.00 0.93 H new ATOM 0 HB2 ASP A 81 0.334 -14.508 3.664 1.00 1.08 H new ATOM 0 HB3 ASP A 81 -1.386 -14.738 3.905 1.00 1.08 H new ATOM 1000 N ALA A 82 -0.170 -14.287 0.510 1.00 0.82 N ATOM 1001 CA ALA A 82 -0.500 -13.249 -0.478 1.00 0.82 C ATOM 1002 C ALA A 82 -1.764 -13.534 -1.287 1.00 0.82 C ATOM 1003 O ALA A 82 -2.481 -12.606 -1.658 1.00 0.84 O ATOM 1004 CB ALA A 82 0.669 -13.040 -1.428 1.00 0.97 C ATOM 0 H ALA A 82 0.822 -14.520 0.544 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.698 -12.346 0.099 1.00 0.82 H new ATOM 0 HB1 ALA A 82 0.414 -12.269 -2.155 1.00 0.97 H new ATOM 0 HB2 ALA A 82 1.547 -12.728 -0.862 1.00 0.97 H new ATOM 0 HB3 ALA A 82 0.886 -13.973 -1.949 1.00 0.97 H new ATOM 1010 N ASP A 83 -2.055 -14.803 -1.529 1.00 0.91 N ATOM 1011 CA ASP A 83 -3.173 -15.175 -2.383 1.00 1.03 C ATOM 1012 C ASP A 83 -4.487 -14.842 -1.703 1.00 0.98 C ATOM 1013 O ASP A 83 -5.465 -14.466 -2.349 1.00 1.03 O ATOM 1014 CB ASP A 83 -3.121 -16.667 -2.716 1.00 1.27 C ATOM 1015 CG ASP A 83 -1.953 -17.026 -3.612 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -2.158 -17.157 -4.839 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -0.826 -17.184 -3.098 1.00 2.33 O ATOM 0 H ASP A 83 -1.533 -15.592 -1.147 1.00 0.91 H new ATOM 0 HA ASP A 83 -3.100 -14.607 -3.311 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -3.053 -17.239 -1.791 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -4.051 -16.959 -3.204 1.00 1.27 H new ATOM 1022 N LYS A 84 -4.488 -14.950 -0.385 1.00 0.96 N ATOM 1023 CA LYS A 84 -5.687 -14.714 0.391 1.00 1.04 C ATOM 1024 C LYS A 84 -5.826 -13.230 0.714 1.00 0.94 C ATOM 1025 O LYS A 84 -6.936 -12.712 0.806 1.00 1.04 O ATOM 1026 CB LYS A 84 -5.655 -15.556 1.673 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.752 -15.007 2.771 1.00 1.67 C ATOM 1028 CD LYS A 84 -4.557 -16.001 3.907 1.00 2.01 C ATOM 1029 CE LYS A 84 -3.916 -17.288 3.412 1.00 2.47 C ATOM 1030 NZ LYS A 84 -3.427 -18.141 4.526 1.00 3.21 N ATOM 0 H LYS A 84 -3.668 -15.200 0.168 1.00 0.96 H new ATOM 0 HA LYS A 84 -6.556 -15.013 -0.195 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -6.670 -15.639 2.063 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.327 -16.565 1.421 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -3.782 -14.749 2.346 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -5.182 -14.087 3.166 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -3.931 -15.555 4.680 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -5.520 -16.225 4.366 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -4.641 -17.848 2.820 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -3.084 -17.046 2.751 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -3.444 -19.139 4.233 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -2.453 -17.869 4.770 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -4.041 -18.014 5.356 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.695 -12.543 0.860 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.707 -11.125 1.206 1.00 0.77 C ATOM 1046 C VAL A 85 -5.023 -10.283 -0.025 1.00 0.68 C ATOM 1047 O VAL A 85 -5.762 -9.305 0.063 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.355 -10.649 1.814 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.525 -9.309 2.513 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.751 -11.682 2.768 1.00 1.16 C ATOM 0 H VAL A 85 -3.764 -12.943 0.745 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.481 -10.994 1.962 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.655 -10.530 0.987 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.569 -8.993 2.931 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.870 -8.565 1.795 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -4.257 -9.407 3.314 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.809 -11.303 3.166 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.443 -11.867 3.589 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -2.570 -12.612 2.230 1.00 1.16 H new ATOM 1060 N LYS A 86 -4.488 -10.686 -1.176 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.702 -9.944 -2.413 1.00 0.59 C ATOM 1062 C LYS A 86 -6.181 -9.898 -2.754 1.00 0.69 C ATOM 1063 O LYS A 86 -6.733 -8.834 -3.023 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.924 -10.582 -3.567 1.00 0.62 C ATOM 1065 CG LYS A 86 -4.103 -9.859 -4.893 1.00 0.79 C ATOM 1066 CD LYS A 86 -3.469 -10.626 -6.039 1.00 1.07 C ATOM 1067 CE LYS A 86 -3.709 -9.930 -7.369 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.196 -10.726 -8.513 1.00 2.30 N ATOM 0 H LYS A 86 -3.906 -11.518 -1.276 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.339 -8.927 -2.265 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.864 -10.601 -3.313 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -4.243 -11.618 -3.681 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -5.166 -9.720 -5.092 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.658 -8.866 -4.829 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -2.397 -10.724 -5.865 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -3.879 -11.635 -6.075 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -4.777 -9.755 -7.499 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -3.224 -8.954 -7.360 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.380 -10.216 -9.401 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -2.172 -10.872 -8.403 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -3.677 -11.648 -8.538 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.818 -11.058 -2.712 1.00 0.75 N ATOM 1083 CA LYS A 87 -8.229 -11.163 -3.043 1.00 0.89 C ATOM 1084 C LYS A 87 -9.086 -10.434 -2.012 1.00 0.88 C ATOM 1085 O LYS A 87 -10.095 -9.819 -2.355 1.00 0.93 O ATOM 1086 CB LYS A 87 -8.640 -12.632 -3.135 1.00 1.06 C ATOM 1087 CG LYS A 87 -7.903 -13.397 -4.221 1.00 1.85 C ATOM 1088 CD LYS A 87 -8.341 -14.850 -4.274 1.00 2.29 C ATOM 1089 CE LYS A 87 -7.581 -15.626 -5.338 1.00 3.21 C ATOM 1090 NZ LYS A 87 -8.041 -17.037 -5.427 1.00 3.93 N ATOM 0 H LYS A 87 -6.379 -11.941 -2.451 1.00 0.75 H new ATOM 0 HA LYS A 87 -8.390 -10.690 -4.012 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -8.458 -13.114 -2.174 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -9.712 -12.691 -3.323 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -8.085 -12.926 -5.187 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -6.830 -13.346 -4.039 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -8.181 -15.314 -3.301 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -9.410 -14.901 -4.480 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -7.711 -15.140 -6.305 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -6.515 -15.605 -5.111 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -7.499 -17.533 -6.163 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -7.894 -17.509 -4.512 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -9.052 -17.058 -5.668 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.662 -10.477 -0.755 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.407 -9.842 0.322 1.00 0.98 C ATOM 1106 C GLU A 88 -9.377 -8.327 0.203 1.00 0.96 C ATOM 1107 O GLU A 88 -10.411 -7.669 0.330 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.862 -10.275 1.680 1.00 1.06 C ATOM 1109 CG GLU A 88 -9.561 -11.500 2.234 1.00 1.16 C ATOM 1110 CD GLU A 88 -11.041 -11.257 2.429 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -11.837 -11.650 1.551 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -11.416 -10.655 3.457 1.00 2.58 O ATOM 0 H GLU A 88 -7.806 -10.945 -0.457 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.445 -10.165 0.238 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.796 -10.482 1.588 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -8.967 -9.452 2.387 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -9.416 -12.340 1.555 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -9.109 -11.778 3.186 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.196 -7.775 -0.042 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.053 -6.339 -0.229 1.00 0.93 C ATOM 1121 C ILE A 89 -8.760 -5.913 -1.513 1.00 0.87 C ATOM 1122 O ILE A 89 -9.374 -4.846 -1.577 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.567 -5.918 -0.276 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.859 -6.279 1.038 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.437 -4.427 -0.558 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.451 -5.607 2.264 1.00 1.17 C ATOM 0 H ILE A 89 -7.325 -8.300 -0.116 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.512 -5.839 0.624 1.00 0.93 H new ATOM 0 HB ILE A 89 -6.086 -6.464 -1.088 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.898 -7.360 1.175 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.807 -6.005 0.959 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.382 -4.153 -0.587 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.898 -4.197 -1.518 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -6.937 -3.863 0.229 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -5.896 -5.913 3.151 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.388 -4.525 2.152 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.495 -5.900 2.371 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.704 -6.782 -2.516 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.374 -6.533 -3.794 1.00 0.79 C ATOM 1140 C GLU A 90 -10.882 -6.412 -3.577 1.00 0.79 C ATOM 1141 O GLU A 90 -11.533 -5.529 -4.142 1.00 0.79 O ATOM 1142 CB GLU A 90 -9.055 -7.650 -4.809 1.00 0.83 C ATOM 1143 CG GLU A 90 -9.901 -7.611 -6.070 1.00 1.35 C ATOM 1144 CD GLU A 90 -9.656 -6.370 -6.898 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -10.573 -5.533 -7.005 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -8.551 -6.232 -7.462 1.00 2.08 O ATOM 0 H GLU A 90 -8.201 -7.668 -2.472 1.00 0.81 H new ATOM 0 HA GLU A 90 -9.003 -5.594 -4.205 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -8.004 -7.581 -5.089 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -9.193 -8.616 -4.323 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -9.688 -8.493 -6.673 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -10.955 -7.659 -5.797 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.430 -7.287 -2.736 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.845 -7.236 -2.391 1.00 0.93 C ATOM 1155 C LYS A 91 -13.198 -5.896 -1.761 1.00 0.96 C ATOM 1156 O LYS A 91 -14.157 -5.246 -2.167 1.00 0.97 O ATOM 1157 CB LYS A 91 -13.219 -8.364 -1.423 1.00 1.11 C ATOM 1158 CG LYS A 91 -13.149 -9.759 -2.027 1.00 1.66 C ATOM 1159 CD LYS A 91 -14.111 -9.926 -3.196 1.00 1.93 C ATOM 1160 CE LYS A 91 -15.557 -9.694 -2.782 1.00 2.60 C ATOM 1161 NZ LYS A 91 -16.504 -9.986 -3.890 1.00 3.12 N ATOM 0 H LYS A 91 -10.913 -8.040 -2.282 1.00 0.85 H new ATOM 0 HA LYS A 91 -13.410 -7.361 -3.315 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.555 -8.321 -0.560 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -14.230 -8.191 -1.055 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -12.132 -9.957 -2.364 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -13.380 -10.498 -1.260 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -13.844 -9.226 -3.988 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -14.009 -10.929 -3.609 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -15.795 -10.324 -1.925 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -15.681 -8.660 -2.461 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -17.478 -9.816 -3.568 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -16.294 -9.367 -4.699 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -16.404 -10.980 -4.180 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.401 -5.480 -0.784 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.666 -4.248 -0.048 1.00 1.17 C ATOM 1177 C LYS A 92 -12.603 -3.043 -0.978 1.00 1.08 C ATOM 1178 O LYS A 92 -13.349 -2.077 -0.817 1.00 1.15 O ATOM 1179 CB LYS A 92 -11.650 -4.072 1.083 1.00 1.37 C ATOM 1180 CG LYS A 92 -11.492 -5.296 1.972 1.00 1.59 C ATOM 1181 CD LYS A 92 -12.805 -5.718 2.613 1.00 1.81 C ATOM 1182 CE LYS A 92 -12.617 -6.926 3.521 1.00 2.18 C ATOM 1183 NZ LYS A 92 -12.102 -8.109 2.780 1.00 2.41 N ATOM 0 H LYS A 92 -11.564 -5.978 -0.482 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.668 -4.318 0.376 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -10.681 -3.823 0.651 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -11.952 -3.225 1.699 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -11.097 -6.122 1.381 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -10.761 -5.084 2.752 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -13.214 -4.888 3.189 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -13.532 -5.955 1.836 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -11.924 -6.672 4.323 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -13.568 -7.178 3.989 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -12.053 -8.926 3.421 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -12.740 -8.328 1.988 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -11.152 -7.901 2.411 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.709 -3.120 -1.952 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.511 -2.048 -2.913 1.00 0.99 C ATOM 1199 C ALA A 93 -12.735 -1.867 -3.809 1.00 0.90 C ATOM 1200 O ALA A 93 -13.294 -0.773 -3.901 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.279 -2.333 -3.754 1.00 1.01 C ATOM 0 H ALA A 93 -11.102 -3.926 -2.098 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.366 -1.119 -2.362 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.135 -1.527 -4.473 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.405 -2.403 -3.107 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.412 -3.275 -4.287 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.165 -2.946 -4.453 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.274 -2.871 -5.400 1.00 0.85 C ATOM 1209 C ARG A 94 -15.608 -2.659 -4.682 1.00 0.86 C ATOM 1210 O ARG A 94 -16.547 -2.116 -5.259 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.325 -4.125 -6.292 1.00 0.93 C ATOM 1212 CG ARG A 94 -14.412 -5.434 -5.529 1.00 1.31 C ATOM 1213 CD ARG A 94 -14.312 -6.619 -6.474 1.00 1.63 C ATOM 1214 NE ARG A 94 -13.097 -6.563 -7.285 1.00 2.21 N ATOM 1215 CZ ARG A 94 -12.977 -7.109 -8.493 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -13.983 -7.786 -9.028 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -11.840 -6.971 -9.163 1.00 3.67 N ATOM 0 H ARG A 94 -12.766 -3.878 -4.339 1.00 0.82 H new ATOM 0 HA ARG A 94 -14.101 -2.006 -6.040 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -15.185 -4.048 -6.957 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -13.436 -4.144 -6.922 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -13.611 -5.483 -4.791 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -15.353 -5.479 -4.981 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -14.323 -7.545 -5.899 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -15.185 -6.638 -7.127 1.00 1.63 H new ATOM 0 HE ARG A 94 -12.289 -6.074 -6.900 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -14.857 -7.892 -8.514 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -13.883 -8.201 -9.954 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -11.066 -6.450 -8.752 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -11.740 -7.386 -10.089 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.680 -3.060 -3.417 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.880 -2.832 -2.616 1.00 1.02 C ATOM 1233 C LYS A 95 -16.958 -1.377 -2.164 1.00 1.02 C ATOM 1234 O LYS A 95 -17.934 -0.959 -1.541 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.916 -3.769 -1.403 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.162 -5.225 -1.768 1.00 1.55 C ATOM 1237 CD LYS A 95 -17.067 -6.142 -0.556 1.00 2.10 C ATOM 1238 CE LYS A 95 -18.146 -5.844 0.474 1.00 2.52 C ATOM 1239 NZ LYS A 95 -18.082 -6.780 1.630 1.00 3.34 N ATOM 0 H LYS A 95 -14.927 -3.542 -2.926 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.746 -3.048 -3.241 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -15.970 -3.692 -0.866 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -17.698 -3.437 -0.720 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -18.149 -5.323 -2.220 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -16.435 -5.538 -2.517 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -17.152 -7.179 -0.880 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -16.086 -6.031 -0.095 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -18.036 -4.820 0.830 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -19.127 -5.914 0.003 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -18.833 -6.544 2.310 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -18.212 -7.756 1.294 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -17.156 -6.695 2.095 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.919 -0.612 -2.469 1.00 0.97 N ATOM 1254 CA LYS A 96 -15.908 0.821 -2.180 1.00 1.03 C ATOM 1255 C LYS A 96 -15.826 1.615 -3.491 1.00 0.96 C ATOM 1256 O LYS A 96 -15.750 2.846 -3.494 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.735 1.167 -1.236 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.595 2.649 -0.897 1.00 1.29 C ATOM 1259 CD LYS A 96 -15.755 3.171 -0.053 1.00 1.68 C ATOM 1260 CE LYS A 96 -15.549 2.923 1.438 1.00 1.78 C ATOM 1261 NZ LYS A 96 -15.547 1.478 1.789 1.00 2.17 N ATOM 0 H LYS A 96 -15.070 -0.957 -2.917 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.833 1.096 -1.673 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -14.858 0.608 -0.309 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -13.807 0.825 -1.694 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -13.660 2.808 -0.360 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -14.535 3.225 -1.820 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -15.875 4.240 -0.227 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -16.679 2.690 -0.374 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -14.604 3.368 1.748 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -16.337 3.427 1.997 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -15.810 1.363 2.789 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -16.232 0.974 1.190 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -14.597 1.084 1.634 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.892 0.884 -4.611 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.762 1.469 -5.948 1.00 0.86 C ATOM 1277 C ASN A 97 -14.423 2.179 -6.097 1.00 0.87 C ATOM 1278 O ASN A 97 -14.330 3.231 -6.729 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.903 2.453 -6.236 1.00 0.97 C ATOM 1280 CG ASN A 97 -18.267 1.794 -6.258 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -18.401 0.619 -6.604 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -19.289 2.549 -5.891 1.00 2.33 N ATOM 0 H ASN A 97 -16.037 -0.126 -4.614 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.816 0.654 -6.670 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -16.898 3.237 -5.479 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.724 2.936 -7.197 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -20.233 2.163 -5.887 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -19.133 3.518 -5.612 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.387 1.603 -5.514 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.075 2.224 -5.517 1.00 0.84 C ATOM 1291 C LEU A 98 -11.013 1.212 -5.948 1.00 0.71 C ATOM 1292 O LEU A 98 -10.575 0.391 -5.147 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.779 2.767 -4.112 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.511 3.623 -3.954 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -10.614 4.913 -4.755 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -10.256 3.946 -2.486 1.00 2.08 C ATOM 0 H LEU A 98 -13.429 0.705 -5.032 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.057 3.049 -6.229 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.633 3.363 -3.791 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.705 1.921 -3.429 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.673 3.042 -4.340 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -9.703 5.497 -4.623 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -10.744 4.676 -5.811 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -11.469 5.491 -4.405 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -9.354 4.552 -2.398 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.105 4.498 -2.082 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -10.126 3.019 -1.927 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.611 1.243 -7.233 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.580 0.340 -7.760 1.00 0.85 C ATOM 1310 C PRO A 99 -8.253 0.454 -7.014 1.00 0.70 C ATOM 1311 O PRO A 99 -7.923 1.504 -6.462 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.396 0.784 -9.214 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.623 1.554 -9.561 1.00 1.25 C ATOM 1314 CD PRO A 99 -11.158 2.130 -8.276 1.00 1.10 C ATOM 0 HA PRO A 99 -9.885 -0.701 -7.652 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.503 1.400 -9.325 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.274 -0.076 -9.873 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -10.393 2.347 -10.273 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.364 0.908 -10.032 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.833 3.161 -8.135 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -12.248 2.135 -8.264 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.494 -0.633 -7.005 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.187 -0.654 -6.368 1.00 0.47 C ATOM 1324 C VAL A 100 -5.125 -1.145 -7.345 1.00 0.42 C ATOM 1325 O VAL A 100 -5.322 -2.144 -8.036 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.175 -1.544 -5.102 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -6.983 -0.902 -3.986 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -6.710 -2.938 -5.405 1.00 1.35 C ATOM 0 H VAL A 100 -7.765 -1.517 -7.435 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.962 0.369 -6.066 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.140 -1.640 -4.773 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -6.961 -1.544 -3.105 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.554 0.069 -3.738 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.014 -0.770 -4.313 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -6.690 -3.541 -4.497 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.735 -2.863 -5.768 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.089 -3.409 -6.167 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.010 -0.433 -7.416 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.922 -0.826 -8.299 1.00 0.43 C ATOM 1340 C ARG A 101 -1.929 -1.694 -7.538 1.00 0.40 C ATOM 1341 O ARG A 101 -1.077 -1.187 -6.806 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.223 0.415 -8.861 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.253 0.114 -9.994 1.00 1.20 C ATOM 1344 CD ARG A 101 -0.601 1.386 -10.522 1.00 1.40 C ATOM 1345 NE ARG A 101 -1.578 2.445 -10.786 1.00 2.23 N ATOM 1346 CZ ARG A 101 -1.408 3.418 -11.683 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -0.333 3.436 -12.462 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -2.327 4.367 -11.809 1.00 3.87 N ATOM 0 H ARG A 101 -3.835 0.415 -6.876 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.328 -1.401 -9.131 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.978 1.115 -9.218 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.683 0.912 -8.055 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.483 -0.572 -9.642 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -1.782 -0.388 -10.804 1.00 1.20 H new ATOM 0 HD2 ARG A 101 0.132 1.743 -9.798 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -0.058 1.159 -11.440 1.00 1.40 H new ATOM 0 HE ARG A 101 -2.445 2.438 -10.249 1.00 2.23 H new ATOM 0 HH11 ARG A 101 0.371 2.702 -12.377 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -0.211 4.183 -13.145 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -3.160 4.351 -11.221 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -2.200 5.112 -12.494 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.044 -3.001 -7.711 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.221 -3.941 -6.964 1.00 0.43 C ATOM 1364 C ILE A 102 -0.051 -4.435 -7.802 1.00 0.45 C ATOM 1365 O ILE A 102 -0.230 -4.855 -8.945 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.044 -5.162 -6.483 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.293 -4.705 -5.721 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.191 -6.072 -5.610 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.174 -5.845 -5.252 1.00 0.76 C ATOM 0 H ILE A 102 -2.698 -3.436 -8.361 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.843 -3.402 -6.095 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.363 -5.726 -7.360 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -2.985 -4.117 -4.857 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.878 -4.046 -6.363 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.786 -6.924 -5.282 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.334 -6.427 -6.183 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.841 -5.517 -4.740 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.037 -5.443 -4.721 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.513 -6.421 -6.113 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.606 -6.492 -4.584 1.00 0.76 H new ATOM 1381 N ARG A 103 1.143 -4.366 -7.235 1.00 0.41 N ATOM 1382 CA ARG A 103 2.322 -4.952 -7.855 1.00 0.50 C ATOM 1383 C ARG A 103 3.135 -5.689 -6.805 1.00 0.43 C ATOM 1384 O ARG A 103 3.213 -5.260 -5.651 1.00 0.53 O ATOM 1385 CB ARG A 103 3.179 -3.885 -8.561 1.00 0.65 C ATOM 1386 CG ARG A 103 3.437 -2.639 -7.716 1.00 1.12 C ATOM 1387 CD ARG A 103 3.869 -1.449 -8.581 1.00 1.27 C ATOM 1388 NE ARG A 103 3.028 -1.322 -9.771 1.00 1.83 N ATOM 1389 CZ ARG A 103 3.251 -0.462 -10.760 1.00 2.44 C ATOM 1390 NH1 ARG A 103 4.289 0.362 -10.714 1.00 2.64 N ATOM 1391 NH2 ARG A 103 2.433 -0.432 -11.802 1.00 3.34 N ATOM 0 H ARG A 103 1.322 -3.908 -6.342 1.00 0.41 H new ATOM 0 HA ARG A 103 1.996 -5.659 -8.618 1.00 0.50 H new ATOM 0 HB2 ARG A 103 4.135 -4.327 -8.840 1.00 0.65 H new ATOM 0 HB3 ARG A 103 2.684 -3.589 -9.486 1.00 0.65 H new ATOM 0 HG2 ARG A 103 2.533 -2.379 -7.164 1.00 1.12 H new ATOM 0 HG3 ARG A 103 4.210 -2.853 -6.978 1.00 1.12 H new ATOM 0 HD2 ARG A 103 3.814 -0.532 -7.995 1.00 1.27 H new ATOM 0 HD3 ARG A 103 4.910 -1.574 -8.880 1.00 1.27 H new ATOM 0 HE ARG A 103 2.216 -1.934 -9.847 1.00 1.83 H new ATOM 0 HH11 ARG A 103 4.923 0.339 -9.916 1.00 2.64 H new ATOM 0 HH12 ARG A 103 4.453 1.019 -11.477 1.00 2.64 H new ATOM 0 HH21 ARG A 103 1.636 -1.067 -11.843 1.00 3.34 H new ATOM 0 HH22 ARG A 103 2.600 0.226 -12.563 1.00 3.34 H new ATOM 1405 N LYS A 104 3.722 -6.803 -7.201 1.00 0.38 N ATOM 1406 CA LYS A 104 4.412 -7.668 -6.263 1.00 0.39 C ATOM 1407 C LYS A 104 5.885 -7.297 -6.162 1.00 0.37 C ATOM 1408 O LYS A 104 6.684 -7.619 -7.042 1.00 0.46 O ATOM 1409 CB LYS A 104 4.237 -9.131 -6.680 1.00 0.51 C ATOM 1410 CG LYS A 104 2.774 -9.536 -6.822 1.00 0.63 C ATOM 1411 CD LYS A 104 2.615 -10.987 -7.249 1.00 1.06 C ATOM 1412 CE LYS A 104 3.117 -11.943 -6.182 1.00 1.50 C ATOM 1413 NZ LYS A 104 2.884 -13.363 -6.551 1.00 1.91 N ATOM 0 H LYS A 104 3.735 -7.130 -8.167 1.00 0.38 H new ATOM 0 HA LYS A 104 3.974 -7.534 -5.274 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.748 -9.297 -7.628 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.717 -9.774 -5.942 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.263 -9.381 -5.872 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.290 -8.889 -7.554 1.00 0.63 H new ATOM 0 HD2 LYS A 104 1.565 -11.192 -7.457 1.00 1.06 H new ATOM 0 HD3 LYS A 104 3.163 -11.156 -8.176 1.00 1.06 H new ATOM 0 HE2 LYS A 104 4.183 -11.780 -6.022 1.00 1.50 H new ATOM 0 HE3 LYS A 104 2.617 -11.727 -5.238 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 3.272 -13.982 -5.811 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 1.863 -13.534 -6.645 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 3.354 -13.568 -7.456 1.00 1.91 H new ATOM 1427 N VAL A 105 6.224 -6.613 -5.078 1.00 0.35 N ATOM 1428 CA VAL A 105 7.586 -6.148 -4.841 1.00 0.39 C ATOM 1429 C VAL A 105 7.945 -6.296 -3.372 1.00 0.46 C ATOM 1430 O VAL A 105 7.100 -6.113 -2.494 1.00 0.52 O ATOM 1431 CB VAL A 105 7.802 -4.655 -5.238 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.671 -4.435 -6.735 1.00 0.43 C ATOM 1433 CG2 VAL A 105 6.844 -3.734 -4.491 1.00 0.55 C ATOM 0 H VAL A 105 5.566 -6.365 -4.339 1.00 0.35 H new ATOM 0 HA VAL A 105 8.226 -6.767 -5.470 1.00 0.39 H new ATOM 0 HB VAL A 105 8.823 -4.406 -4.949 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.829 -3.381 -6.963 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.416 -5.035 -7.258 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.674 -4.731 -7.060 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.023 -2.702 -4.792 1.00 0.55 H new ATOM 0 HG22 VAL A 105 5.816 -4.008 -4.728 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.007 -3.832 -3.418 1.00 0.55 H new ATOM 1443 N THR A 106 9.188 -6.656 -3.110 1.00 0.52 N ATOM 1444 CA THR A 106 9.723 -6.602 -1.770 1.00 0.61 C ATOM 1445 C THR A 106 11.221 -6.306 -1.825 1.00 0.58 C ATOM 1446 O THR A 106 12.055 -7.196 -2.000 1.00 0.67 O ATOM 1447 CB THR A 106 9.436 -7.909 -0.986 1.00 0.80 C ATOM 1448 OG1 THR A 106 10.110 -7.896 0.281 1.00 1.32 O ATOM 1449 CG2 THR A 106 9.845 -9.146 -1.779 1.00 1.64 C ATOM 0 H THR A 106 9.846 -6.990 -3.814 1.00 0.52 H new ATOM 0 HA THR A 106 9.224 -5.796 -1.232 1.00 0.61 H new ATOM 0 HB THR A 106 8.360 -7.957 -0.820 1.00 0.80 H new ATOM 0 HG1 THR A 106 9.578 -8.389 0.940 1.00 1.32 H new ATOM 0 HG21 THR A 106 9.628 -10.041 -1.195 1.00 1.64 H new ATOM 0 HG22 THR A 106 9.287 -9.179 -2.715 1.00 1.64 H new ATOM 0 HG23 THR A 106 10.913 -9.104 -1.994 1.00 1.64 H new ATOM 1457 N SER A 107 11.536 -5.024 -1.701 1.00 0.50 N ATOM 1458 CA SER A 107 12.908 -4.537 -1.647 1.00 0.51 C ATOM 1459 C SER A 107 12.893 -3.017 -1.535 1.00 0.45 C ATOM 1460 O SER A 107 12.081 -2.365 -2.196 1.00 0.44 O ATOM 1461 CB SER A 107 13.709 -4.979 -2.883 1.00 0.56 C ATOM 1462 OG SER A 107 13.003 -4.704 -4.082 1.00 1.36 O ATOM 0 H SER A 107 10.838 -4.284 -1.634 1.00 0.50 H new ATOM 0 HA SER A 107 13.399 -4.965 -0.773 1.00 0.51 H new ATOM 0 HB2 SER A 107 14.670 -4.465 -2.899 1.00 0.56 H new ATOM 0 HB3 SER A 107 13.920 -6.047 -2.819 1.00 0.56 H new ATOM 0 HG SER A 107 13.538 -4.994 -4.850 1.00 1.36 H new ATOM 1468 N PRO A 108 13.755 -2.433 -0.686 1.00 0.47 N ATOM 1469 CA PRO A 108 13.733 -0.997 -0.388 1.00 0.49 C ATOM 1470 C PRO A 108 13.700 -0.128 -1.642 1.00 0.43 C ATOM 1471 O PRO A 108 12.789 0.685 -1.817 1.00 0.47 O ATOM 1472 CB PRO A 108 15.035 -0.759 0.397 1.00 0.63 C ATOM 1473 CG PRO A 108 15.822 -2.022 0.268 1.00 0.69 C ATOM 1474 CD PRO A 108 14.821 -3.117 0.052 1.00 0.55 C ATOM 0 HA PRO A 108 12.833 -0.724 0.164 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.587 0.089 -0.008 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.826 -0.533 1.443 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.520 -1.962 -0.567 1.00 0.69 H new ATOM 0 HG3 PRO A 108 16.413 -2.206 1.165 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.242 -3.945 -0.518 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.461 -3.530 0.995 1.00 0.55 H new ATOM 1482 N ASP A 109 14.674 -0.340 -2.522 1.00 0.46 N ATOM 1483 CA ASP A 109 14.850 0.490 -3.714 1.00 0.50 C ATOM 1484 C ASP A 109 13.599 0.504 -4.584 1.00 0.41 C ATOM 1485 O ASP A 109 13.102 1.570 -4.951 1.00 0.44 O ATOM 1486 CB ASP A 109 16.034 -0.008 -4.544 1.00 0.64 C ATOM 1487 CG ASP A 109 17.323 -0.054 -3.753 1.00 1.56 C ATOM 1488 OD1 ASP A 109 17.769 -1.171 -3.409 1.00 2.22 O ATOM 1489 OD2 ASP A 109 17.897 1.019 -3.465 1.00 2.37 O ATOM 0 H ASP A 109 15.362 -1.088 -2.432 1.00 0.46 H new ATOM 0 HA ASP A 109 15.042 1.506 -3.370 1.00 0.50 H new ATOM 0 HB2 ASP A 109 15.811 -1.004 -4.926 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.166 0.643 -5.408 1.00 0.64 H new ATOM 1494 N GLU A 110 13.090 -0.680 -4.905 1.00 0.38 N ATOM 1495 CA GLU A 110 11.938 -0.797 -5.792 1.00 0.38 C ATOM 1496 C GLU A 110 10.705 -0.160 -5.170 1.00 0.36 C ATOM 1497 O GLU A 110 9.973 0.577 -5.835 1.00 0.42 O ATOM 1498 CB GLU A 110 11.652 -2.262 -6.121 1.00 0.43 C ATOM 1499 CG GLU A 110 12.818 -2.980 -6.776 1.00 0.68 C ATOM 1500 CD GLU A 110 13.366 -2.232 -7.972 1.00 1.32 C ATOM 1501 OE1 GLU A 110 12.649 -2.117 -8.989 1.00 2.01 O ATOM 1502 OE2 GLU A 110 14.521 -1.761 -7.900 1.00 2.12 O ATOM 0 H GLU A 110 13.455 -1.570 -4.566 1.00 0.38 H new ATOM 0 HA GLU A 110 12.177 -0.268 -6.715 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.384 -2.785 -5.203 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.787 -2.314 -6.782 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.613 -3.118 -6.043 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.498 -3.974 -7.089 1.00 0.68 H new ATOM 1509 N ALA A 111 10.486 -0.439 -3.891 1.00 0.33 N ATOM 1510 CA ALA A 111 9.346 0.107 -3.170 1.00 0.35 C ATOM 1511 C ALA A 111 9.385 1.629 -3.178 1.00 0.34 C ATOM 1512 O ALA A 111 8.391 2.290 -3.482 1.00 0.41 O ATOM 1513 CB ALA A 111 9.334 -0.412 -1.742 1.00 0.38 C ATOM 0 H ALA A 111 11.087 -1.043 -3.331 1.00 0.33 H new ATOM 0 HA ALA A 111 8.433 -0.215 -3.670 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.477 0.003 -1.211 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.264 -1.500 -1.751 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.253 -0.112 -1.238 1.00 0.38 H new ATOM 1519 N LYS A 112 10.556 2.173 -2.872 1.00 0.32 N ATOM 1520 CA LYS A 112 10.744 3.617 -2.802 1.00 0.34 C ATOM 1521 C LYS A 112 10.505 4.259 -4.159 1.00 0.37 C ATOM 1522 O LYS A 112 9.964 5.358 -4.245 1.00 0.42 O ATOM 1523 CB LYS A 112 12.160 3.949 -2.314 1.00 0.40 C ATOM 1524 CG LYS A 112 12.400 3.591 -0.858 1.00 0.48 C ATOM 1525 CD LYS A 112 13.870 3.716 -0.490 1.00 0.62 C ATOM 1526 CE LYS A 112 14.358 5.151 -0.575 1.00 1.11 C ATOM 1527 NZ LYS A 112 15.782 5.266 -0.174 1.00 1.51 N ATOM 0 H LYS A 112 11.396 1.632 -2.667 1.00 0.32 H new ATOM 0 HA LYS A 112 10.019 4.017 -2.093 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.883 3.419 -2.934 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.343 5.015 -2.452 1.00 0.40 H new ATOM 0 HG2 LYS A 112 11.807 4.245 -0.219 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.062 2.571 -0.672 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.024 3.340 0.522 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.465 3.091 -1.156 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.235 5.518 -1.594 1.00 1.11 H new ATOM 0 HE3 LYS A 112 13.746 5.783 0.068 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 15.951 6.204 0.243 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.006 4.530 0.526 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.389 5.145 -1.010 1.00 1.51 H new ATOM 1541 N ARG A 113 10.906 3.560 -5.213 1.00 0.38 N ATOM 1542 CA ARG A 113 10.726 4.046 -6.573 1.00 0.46 C ATOM 1543 C ARG A 113 9.254 4.290 -6.888 1.00 0.43 C ATOM 1544 O ARG A 113 8.873 5.384 -7.303 1.00 0.50 O ATOM 1545 CB ARG A 113 11.302 3.053 -7.582 1.00 0.57 C ATOM 1546 CG ARG A 113 10.899 3.366 -9.010 1.00 0.77 C ATOM 1547 CD ARG A 113 11.490 2.380 -9.996 1.00 1.01 C ATOM 1548 NE ARG A 113 11.000 2.614 -11.353 1.00 1.68 N ATOM 1549 CZ ARG A 113 11.411 1.936 -12.421 1.00 2.13 C ATOM 1550 NH1 ARG A 113 12.340 0.994 -12.302 1.00 1.97 N ATOM 1551 NH2 ARG A 113 10.895 2.201 -13.613 1.00 2.96 N ATOM 0 H ARG A 113 11.361 2.649 -5.150 1.00 0.38 H new ATOM 0 HA ARG A 113 11.260 4.993 -6.651 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.389 3.056 -7.507 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.967 2.047 -7.327 1.00 0.57 H new ATOM 0 HG2 ARG A 113 9.812 3.352 -9.091 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.225 4.374 -9.266 1.00 0.77 H new ATOM 0 HD2 ARG A 113 12.577 2.459 -9.983 1.00 1.01 H new ATOM 0 HD3 ARG A 113 11.241 1.364 -9.689 1.00 1.01 H new ATOM 0 HE ARG A 113 10.299 3.343 -11.489 1.00 1.68 H new ATOM 0 HH11 ARG A 113 12.742 0.787 -11.388 1.00 1.97 H new ATOM 0 HH12 ARG A 113 12.651 0.478 -13.125 1.00 1.97 H new ATOM 0 HH21 ARG A 113 10.183 2.925 -13.711 1.00 2.96 H new ATOM 0 HH22 ARG A 113 11.210 1.681 -14.432 1.00 2.96 H new ATOM 1565 N TRP A 114 8.432 3.270 -6.683 1.00 0.39 N ATOM 1566 CA TRP A 114 7.020 3.359 -7.023 1.00 0.39 C ATOM 1567 C TRP A 114 6.321 4.400 -6.161 1.00 0.40 C ATOM 1568 O TRP A 114 5.487 5.161 -6.646 1.00 0.46 O ATOM 1569 CB TRP A 114 6.344 1.993 -6.882 1.00 0.38 C ATOM 1570 CG TRP A 114 6.975 0.934 -7.736 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.421 -0.289 -7.329 1.00 0.34 C ATOM 1572 CD2 TRP A 114 7.247 1.011 -9.143 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.949 -0.978 -8.393 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.855 -0.201 -9.517 1.00 0.63 C ATOM 1575 CE3 TRP A 114 7.035 1.988 -10.121 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 8.250 -0.462 -10.827 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 7.427 1.727 -11.420 1.00 1.29 C ATOM 1578 CH2 TRP A 114 8.030 0.511 -11.762 1.00 1.25 C ATOM 0 H TRP A 114 8.717 2.375 -6.285 1.00 0.39 H new ATOM 0 HA TRP A 114 6.939 3.673 -8.064 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.383 1.681 -5.838 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.291 2.086 -7.148 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.367 -0.661 -6.317 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.347 -1.916 -8.353 1.00 0.40 H new ATOM 0 HE3 TRP A 114 6.573 2.930 -9.865 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 8.714 -1.400 -11.095 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 7.266 2.473 -12.184 1.00 1.29 H new ATOM 0 HH2 TRP A 114 8.328 0.338 -12.786 1.00 1.25 H new ATOM 1589 N ILE A 115 6.678 4.443 -4.886 1.00 0.38 N ATOM 1590 CA ILE A 115 6.130 5.447 -3.984 1.00 0.41 C ATOM 1591 C ILE A 115 6.550 6.843 -4.439 1.00 0.47 C ATOM 1592 O ILE A 115 5.760 7.785 -4.403 1.00 0.55 O ATOM 1593 CB ILE A 115 6.578 5.217 -2.522 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.120 3.836 -2.035 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.029 6.312 -1.614 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.564 3.506 -0.625 1.00 0.44 C ATOM 0 H ILE A 115 7.341 3.799 -4.454 1.00 0.38 H new ATOM 0 HA ILE A 115 5.044 5.359 -4.017 1.00 0.41 H new ATOM 0 HB ILE A 115 7.667 5.255 -2.485 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.032 3.786 -2.084 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.505 3.076 -2.714 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.355 6.133 -0.590 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.399 7.281 -1.948 1.00 0.45 H new ATOM 0 HG23 ILE A 115 4.940 6.306 -1.654 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.202 2.515 -0.352 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.653 3.522 -0.573 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.157 4.244 0.067 1.00 0.44 H new ATOM 1608 N LYS A 116 7.792 6.957 -4.899 1.00 0.50 N ATOM 1609 CA LYS A 116 8.319 8.222 -5.398 1.00 0.60 C ATOM 1610 C LYS A 116 7.538 8.684 -6.621 1.00 0.57 C ATOM 1611 O LYS A 116 7.007 9.794 -6.648 1.00 0.69 O ATOM 1612 CB LYS A 116 9.800 8.073 -5.763 1.00 0.73 C ATOM 1613 CG LYS A 116 10.422 9.346 -6.316 1.00 1.18 C ATOM 1614 CD LYS A 116 11.864 9.130 -6.751 1.00 1.85 C ATOM 1615 CE LYS A 116 12.759 8.757 -5.579 1.00 2.50 C ATOM 1616 NZ LYS A 116 14.187 8.663 -5.979 1.00 3.13 N ATOM 0 H LYS A 116 8.456 6.183 -4.936 1.00 0.50 H new ATOM 0 HA LYS A 116 8.215 8.968 -4.610 1.00 0.60 H new ATOM 0 HB2 LYS A 116 10.354 7.763 -4.877 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.906 7.277 -6.500 1.00 0.73 H new ATOM 0 HG2 LYS A 116 9.835 9.698 -7.165 1.00 1.18 H new ATOM 0 HG3 LYS A 116 10.385 10.128 -5.557 1.00 1.18 H new ATOM 0 HD2 LYS A 116 11.902 8.342 -7.503 1.00 1.85 H new ATOM 0 HD3 LYS A 116 12.241 10.038 -7.222 1.00 1.85 H new ATOM 0 HE2 LYS A 116 12.652 9.501 -4.789 1.00 2.50 H new ATOM 0 HE3 LYS A 116 12.435 7.803 -5.164 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 14.763 8.407 -5.152 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 14.294 7.936 -6.714 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 14.504 9.581 -6.351 1.00 3.13 H new ATOM 1630 N GLU A 117 7.453 7.804 -7.614 1.00 0.53 N ATOM 1631 CA GLU A 117 6.808 8.118 -8.883 1.00 0.58 C ATOM 1632 C GLU A 117 5.357 8.556 -8.700 1.00 0.57 C ATOM 1633 O GLU A 117 4.855 9.392 -9.451 1.00 0.66 O ATOM 1634 CB GLU A 117 6.864 6.907 -9.819 1.00 0.70 C ATOM 1635 CG GLU A 117 8.259 6.582 -10.331 1.00 1.28 C ATOM 1636 CD GLU A 117 8.250 5.510 -11.404 1.00 1.51 C ATOM 1637 OE1 GLU A 117 7.315 5.504 -12.237 1.00 2.14 O ATOM 1638 OE2 GLU A 117 9.189 4.687 -11.442 1.00 1.93 O ATOM 0 H GLU A 117 7.828 6.857 -7.562 1.00 0.53 H new ATOM 0 HA GLU A 117 7.355 8.952 -9.323 1.00 0.58 H new ATOM 0 HB2 GLU A 117 6.469 6.037 -9.294 1.00 0.70 H new ATOM 0 HB3 GLU A 117 6.209 7.089 -10.671 1.00 0.70 H new ATOM 0 HG2 GLU A 117 8.716 7.487 -10.731 1.00 1.28 H new ATOM 0 HG3 GLU A 117 8.880 6.252 -9.498 1.00 1.28 H new ATOM 1645 N PHE A 118 4.684 7.995 -7.709 1.00 0.56 N ATOM 1646 CA PHE A 118 3.279 8.299 -7.482 1.00 0.66 C ATOM 1647 C PHE A 118 3.090 9.522 -6.586 1.00 0.73 C ATOM 1648 O PHE A 118 2.096 10.239 -6.712 1.00 0.88 O ATOM 1649 CB PHE A 118 2.567 7.086 -6.880 1.00 0.73 C ATOM 1650 CG PHE A 118 2.237 6.016 -7.887 1.00 0.69 C ATOM 1651 CD1 PHE A 118 3.241 5.353 -8.577 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.920 5.674 -8.141 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.937 4.371 -9.498 1.00 1.57 C ATOM 1654 CE2 PHE A 118 0.609 4.693 -9.061 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.621 4.042 -9.741 1.00 1.41 C ATOM 0 H PHE A 118 5.086 7.328 -7.050 1.00 0.56 H new ATOM 0 HA PHE A 118 2.837 8.535 -8.450 1.00 0.66 H new ATOM 0 HB2 PHE A 118 3.196 6.657 -6.100 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.646 7.418 -6.400 1.00 0.73 H new ATOM 0 HD1 PHE A 118 4.274 5.608 -8.391 1.00 1.33 H new ATOM 0 HD2 PHE A 118 0.126 6.181 -7.613 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.729 3.862 -10.027 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -0.423 4.435 -9.249 1.00 1.56 H new ATOM 0 HZ PHE A 118 1.380 3.275 -10.463 1.00 1.41 H new ATOM 1665 N SER A 119 4.040 9.772 -5.694 1.00 0.69 N ATOM 1666 CA SER A 119 3.905 10.857 -4.727 1.00 0.80 C ATOM 1667 C SER A 119 4.207 12.216 -5.352 1.00 0.79 C ATOM 1668 O SER A 119 3.671 13.241 -4.919 1.00 0.90 O ATOM 1669 CB SER A 119 4.815 10.615 -3.525 1.00 0.93 C ATOM 1670 OG SER A 119 6.153 10.384 -3.929 1.00 1.20 O ATOM 0 H SER A 119 4.908 9.242 -5.619 1.00 0.69 H new ATOM 0 HA SER A 119 2.867 10.870 -4.394 1.00 0.80 H new ATOM 0 HB2 SER A 119 4.778 11.477 -2.859 1.00 0.93 H new ATOM 0 HB3 SER A 119 4.451 9.758 -2.958 1.00 0.93 H new ATOM 0 HG SER A 119 6.298 9.422 -4.044 1.00 1.20 H new ATOM 1676 N GLU A 120 5.053 12.224 -6.375 1.00 0.81 N ATOM 1677 CA GLU A 120 5.437 13.465 -7.040 1.00 0.96 C ATOM 1678 C GLU A 120 4.345 13.940 -7.996 1.00 1.17 C ATOM 1679 O GLU A 120 4.467 14.995 -8.618 1.00 1.50 O ATOM 1680 CB GLU A 120 6.751 13.279 -7.803 1.00 1.08 C ATOM 1681 CG GLU A 120 6.727 12.113 -8.774 1.00 1.41 C ATOM 1682 CD GLU A 120 7.990 12.020 -9.597 1.00 2.00 C ATOM 1683 OE1 GLU A 120 8.973 11.414 -9.126 1.00 2.45 O ATOM 1684 OE2 GLU A 120 8.008 12.560 -10.720 1.00 2.77 O ATOM 0 H GLU A 120 5.487 11.386 -6.763 1.00 0.81 H new ATOM 0 HA GLU A 120 5.575 14.225 -6.271 1.00 0.96 H new ATOM 0 HB2 GLU A 120 6.976 14.194 -8.351 1.00 1.08 H new ATOM 0 HB3 GLU A 120 7.559 13.129 -7.087 1.00 1.08 H new ATOM 0 HG2 GLU A 120 6.590 11.185 -8.219 1.00 1.41 H new ATOM 0 HG3 GLU A 120 5.870 12.216 -9.440 1.00 1.41 H new ATOM 1691 N GLU A 121 3.292 13.150 -8.120 1.00 1.22 N ATOM 1692 CA GLU A 121 2.170 13.507 -8.967 1.00 1.56 C ATOM 1693 C GLU A 121 1.199 14.390 -8.195 1.00 2.02 C ATOM 1694 O GLU A 121 0.367 13.848 -7.440 1.00 2.60 O ATOM 1695 CB GLU A 121 1.466 12.247 -9.465 1.00 1.96 C ATOM 1696 CG GLU A 121 2.342 11.360 -10.335 1.00 2.47 C ATOM 1697 CD GLU A 121 2.628 11.969 -11.692 1.00 3.35 C ATOM 1698 OE1 GLU A 121 3.584 12.765 -11.812 1.00 4.00 O ATOM 1699 OE2 GLU A 121 1.895 11.651 -12.651 1.00 3.84 O ATOM 1700 OXT GLU A 121 1.287 15.628 -8.327 1.00 2.53 O ATOM 0 H GLU A 121 3.192 12.254 -7.642 1.00 1.22 H new ATOM 0 HA GLU A 121 2.537 14.062 -9.830 1.00 1.56 H new ATOM 0 HB2 GLU A 121 1.121 11.671 -8.606 1.00 1.96 H new ATOM 0 HB3 GLU A 121 0.581 12.536 -10.032 1.00 1.96 H new ATOM 0 HG2 GLU A 121 3.284 11.171 -9.821 1.00 2.47 H new ATOM 0 HG3 GLU A 121 1.853 10.395 -10.470 1.00 2.47 H new