USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 46 LYS NZ :NH3+ 162:sc= 2.04 (180deg=1.13) USER MOD Set 1.2: A 50 SER OG : rot 101:sc= 2.07 USER MOD Set 2.1: A 45 LYS NZ :NH3+ -173:sc= 1.22 (180deg=0.992) USER MOD Set 2.2: A 59 MET CE :methyl -168:sc= -0.0591 (180deg=-0.0857) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= 1.29 (180deg=-0.133!) USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= 1.29 (180deg=0.715) USER MOD Single : A 29 GLN : amide:sc=-0.000648 X(o=-0.00065,f=-0.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -133:sc= 1.11 USER MOD Single : A 35 HIS : no HD1:sc= 0.0776 K(o=0.078,f=-5.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= 1.13 (180deg=0.262) USER MOD Single : A 40 MET CE :methyl -123:sc= 0 (180deg=-0.452) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -101:sc= 1.18 USER MOD Single : A 43 HIS : no HD1:sc= 0.0535 X(o=0.054,f=-0.3) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 2.39 (180deg=2.19) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 47:sc= 0.647 USER MOD Single : A 53 GLN : amide:sc= -1.05 K(o=-1.1,f=-3.5!) USER MOD Single : A 55 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.68) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -87:sc= 1.27 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 74 ASN : amide:sc=-0.00769 X(o=-0.0077,f=-0.26) USER MOD Single : A 75 HIS : no HD1:sc= 0.272 K(o=0.27,f=-6.1!) USER MOD Single : A 76 THR OG1 : rot -53:sc= 0.912 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 166:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.155 USER MOD Single : B 357 ASN : amide:sc= -0.453 K(o=-0.45,f=1.1) USER MOD Single : B 358 ASN : amide:sc= -0.0501 K(o=-0.05,f=-2.3!) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.961 -5.637 -1.392 1.00 10.00 N ATOM 2 CA TYR A 21 12.845 -4.665 -1.339 1.00 10.00 C ATOM 3 C TYR A 21 11.896 -5.016 -0.199 1.00 10.00 C ATOM 4 O TYR A 21 11.846 -6.165 0.234 1.00 10.00 O ATOM 5 CB TYR A 21 12.083 -4.663 -2.665 1.00 10.00 C ATOM 6 CG TYR A 21 12.947 -4.372 -3.875 1.00 10.00 C ATOM 7 CD1 TYR A 21 13.813 -3.285 -3.895 1.00 10.00 C ATOM 8 CD2 TYR A 21 12.888 -5.181 -5.004 1.00 10.00 C ATOM 9 CE1 TYR A 21 14.594 -3.014 -5.003 1.00 10.00 C ATOM 10 CE2 TYR A 21 13.669 -4.915 -6.114 1.00 10.00 C ATOM 11 CZ TYR A 21 14.518 -3.832 -6.109 1.00 10.00 C ATOM 12 OH TYR A 21 15.293 -3.565 -7.215 1.00 10.00 O ATOM 0 HA TYR A 21 13.257 -3.671 -1.165 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.605 -5.633 -2.798 1.00 10.00 H new ATOM 0 HB3 TYR A 21 11.287 -3.920 -2.613 1.00 10.00 H new ATOM 0 HD1 TYR A 21 13.877 -2.641 -3.030 1.00 10.00 H new ATOM 0 HD2 TYR A 21 12.222 -6.031 -5.014 1.00 10.00 H new ATOM 0 HE1 TYR A 21 15.261 -2.165 -5.002 1.00 10.00 H new ATOM 0 HE2 TYR A 21 13.613 -5.555 -6.982 1.00 10.00 H new ATOM 0 HH TYR A 21 15.120 -4.238 -7.906 1.00 10.00 H new ATOM 22 N ILE A 22 11.145 -4.030 0.276 1.00 10.00 N ATOM 23 CA ILE A 22 10.198 -4.237 1.366 1.00 10.00 C ATOM 24 C ILE A 22 8.870 -4.739 0.816 1.00 10.00 C ATOM 25 O ILE A 22 8.217 -4.055 0.030 1.00 10.00 O ATOM 26 CB ILE A 22 9.952 -2.931 2.159 1.00 10.00 C ATOM 27 CG1 ILE A 22 11.261 -2.393 2.740 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.926 -3.154 3.266 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.829 -3.234 3.864 1.00 10.00 C ATOM 0 H ILE A 22 11.174 -3.074 -0.078 1.00 10.00 H new ATOM 0 HA ILE A 22 10.629 -4.978 2.039 1.00 10.00 H new ATOM 0 HB ILE A 22 9.554 -2.188 1.469 1.00 10.00 H new ATOM 0 HG12 ILE A 22 12.000 -2.326 1.942 1.00 10.00 H new ATOM 0 HG13 ILE A 22 11.094 -1.380 3.107 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.769 -2.222 3.810 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.983 -3.481 2.828 1.00 10.00 H new ATOM 0 HG23 ILE A 22 9.292 -3.918 3.952 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.756 -2.786 4.221 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.110 -3.281 4.682 1.00 10.00 H new ATOM 0 HD13 ILE A 22 12.030 -4.241 3.499 1.00 10.00 H new ATOM 41 N LYS A 23 8.481 -5.938 1.210 1.00 10.00 N ATOM 42 CA LYS A 23 7.230 -6.513 0.747 1.00 10.00 C ATOM 43 C LYS A 23 6.150 -6.391 1.820 1.00 10.00 C ATOM 44 O LYS A 23 6.242 -6.999 2.888 1.00 10.00 O ATOM 45 CB LYS A 23 7.438 -7.972 0.357 1.00 10.00 C ATOM 46 CG LYS A 23 6.231 -8.605 -0.315 1.00 10.00 C ATOM 47 CD LYS A 23 6.212 -10.112 -0.122 1.00 10.00 C ATOM 48 CE LYS A 23 5.915 -10.486 1.318 1.00 10.00 C ATOM 49 NZ LYS A 23 7.156 -10.736 2.105 1.00 10.00 N ATOM 0 H LYS A 23 9.011 -6.532 1.848 1.00 10.00 H new ATOM 0 HA LYS A 23 6.897 -5.961 -0.132 1.00 10.00 H new ATOM 0 HB2 LYS A 23 8.294 -8.040 -0.315 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.687 -8.545 1.250 1.00 10.00 H new ATOM 0 HG2 LYS A 23 5.318 -8.173 0.094 1.00 10.00 H new ATOM 0 HG3 LYS A 23 6.244 -8.374 -1.380 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.460 -10.554 -0.776 1.00 10.00 H new ATOM 0 HD3 LYS A 23 7.175 -10.529 -0.416 1.00 10.00 H new ATOM 0 HE2 LYS A 23 5.344 -9.686 1.789 1.00 10.00 H new ATOM 0 HE3 LYS A 23 5.289 -11.378 1.338 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 6.994 -11.519 2.770 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.932 -10.986 1.459 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 7.409 -9.878 2.635 1.00 10.00 H new ATOM 63 N LEU A 24 5.126 -5.602 1.523 1.00 10.00 N ATOM 64 CA LEU A 24 4.032 -5.381 2.457 1.00 10.00 C ATOM 65 C LEU A 24 2.821 -6.223 2.081 1.00 10.00 C ATOM 66 O LEU A 24 2.442 -6.296 0.910 1.00 10.00 O ATOM 67 CB LEU A 24 3.638 -3.900 2.469 1.00 10.00 C ATOM 68 CG LEU A 24 4.779 -2.914 2.739 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.361 -1.501 2.359 1.00 10.00 C ATOM 70 CD2 LEU A 24 5.197 -2.969 4.200 1.00 10.00 C ATOM 0 H LEU A 24 5.031 -5.103 0.639 1.00 10.00 H new ATOM 0 HA LEU A 24 4.371 -5.676 3.450 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.189 -3.654 1.507 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.868 -3.753 3.227 1.00 10.00 H new ATOM 0 HG LEU A 24 5.633 -3.199 2.125 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.183 -0.813 2.557 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.108 -1.469 1.299 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.492 -1.208 2.948 1.00 10.00 H new ATOM 0 HD21 LEU A 24 6.008 -2.262 4.373 1.00 10.00 H new ATOM 0 HD22 LEU A 24 4.348 -2.708 4.832 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.535 -3.976 4.444 1.00 10.00 H new ATOM 82 N LYS A 25 2.220 -6.864 3.075 1.00 10.00 N ATOM 83 CA LYS A 25 1.040 -7.683 2.850 1.00 10.00 C ATOM 84 C LYS A 25 -0.215 -6.830 3.006 1.00 10.00 C ATOM 85 O LYS A 25 -0.589 -6.447 4.116 1.00 10.00 O ATOM 86 CB LYS A 25 1.010 -8.869 3.824 1.00 10.00 C ATOM 87 CG LYS A 25 1.973 -9.985 3.449 1.00 10.00 C ATOM 88 CD LYS A 25 2.015 -11.078 4.507 1.00 10.00 C ATOM 89 CE LYS A 25 2.669 -12.339 3.968 1.00 10.00 C ATOM 90 NZ LYS A 25 2.972 -13.318 5.047 1.00 10.00 N ATOM 0 H LYS A 25 2.532 -6.831 4.046 1.00 10.00 H new ATOM 0 HA LYS A 25 1.075 -8.081 1.836 1.00 10.00 H new ATOM 0 HB2 LYS A 25 1.251 -8.513 4.826 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -0.002 -9.271 3.864 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.675 -10.416 2.493 1.00 10.00 H new ATOM 0 HG3 LYS A 25 2.973 -9.572 3.314 1.00 10.00 H new ATOM 0 HD2 LYS A 25 2.566 -10.723 5.378 1.00 10.00 H new ATOM 0 HD3 LYS A 25 1.002 -11.304 4.840 1.00 10.00 H new ATOM 0 HE2 LYS A 25 2.011 -12.802 3.233 1.00 10.00 H new ATOM 0 HE3 LYS A 25 3.591 -12.075 3.449 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 2.810 -14.283 4.696 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 3.965 -13.218 5.338 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 2.353 -13.138 5.863 1.00 10.00 H new ATOM 104 N VAL A 26 -0.843 -6.518 1.884 1.00 10.00 N ATOM 105 CA VAL A 26 -2.045 -5.701 1.873 1.00 10.00 C ATOM 106 C VAL A 26 -3.282 -6.582 1.966 1.00 10.00 C ATOM 107 O VAL A 26 -3.557 -7.382 1.070 1.00 10.00 O ATOM 108 CB VAL A 26 -2.135 -4.830 0.601 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.096 -3.673 0.809 1.00 10.00 C ATOM 110 CG2 VAL A 26 -0.763 -4.318 0.194 1.00 10.00 C ATOM 0 H VAL A 26 -0.536 -6.822 0.960 1.00 10.00 H new ATOM 0 HA VAL A 26 -1.994 -5.040 2.738 1.00 10.00 H new ATOM 0 HB VAL A 26 -2.518 -5.454 -0.207 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.144 -3.072 -0.099 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.088 -4.061 1.041 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -2.747 -3.054 1.635 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.854 -3.707 -0.704 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.345 -3.716 1.001 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.104 -5.163 -0.007 1.00 10.00 H new ATOM 120 N ILE A 27 -4.015 -6.437 3.055 1.00 10.00 N ATOM 121 CA ILE A 27 -5.219 -7.220 3.272 1.00 10.00 C ATOM 122 C ILE A 27 -6.432 -6.510 2.689 1.00 10.00 C ATOM 123 O ILE A 27 -6.767 -5.393 3.094 1.00 10.00 O ATOM 124 CB ILE A 27 -5.458 -7.492 4.772 1.00 10.00 C ATOM 125 CG1 ILE A 27 -4.210 -8.110 5.415 1.00 10.00 C ATOM 126 CG2 ILE A 27 -6.669 -8.397 4.964 1.00 10.00 C ATOM 127 CD1 ILE A 27 -3.777 -9.427 4.797 1.00 10.00 C ATOM 0 H ILE A 27 -3.797 -5.782 3.806 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.077 -8.175 2.766 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.659 -6.542 5.266 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -3.387 -7.399 5.341 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -4.402 -8.266 6.477 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.823 -8.578 6.028 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -7.553 -7.915 4.547 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -6.499 -9.346 4.455 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -2.888 -9.795 5.310 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -4.581 -10.157 4.895 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -3.550 -9.277 3.741 1.00 10.00 H new ATOM 139 N GLY A 28 -7.077 -7.158 1.728 1.00 10.00 N ATOM 140 CA GLY A 28 -8.247 -6.583 1.104 1.00 10.00 C ATOM 141 C GLY A 28 -9.521 -6.934 1.846 1.00 10.00 C ATOM 142 O GLY A 28 -9.520 -7.798 2.728 1.00 10.00 O ATOM 0 H GLY A 28 -6.808 -8.074 1.370 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.139 -5.499 1.063 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -8.319 -6.936 0.075 1.00 10.00 H new ATOM 146 N GLN A 29 -10.610 -6.272 1.474 1.00 10.00 N ATOM 147 CA GLN A 29 -11.910 -6.501 2.095 1.00 10.00 C ATOM 148 C GLN A 29 -12.398 -7.919 1.815 1.00 10.00 C ATOM 149 O GLN A 29 -13.171 -8.483 2.587 1.00 10.00 O ATOM 150 CB GLN A 29 -12.926 -5.482 1.569 1.00 10.00 C ATOM 151 CG GLN A 29 -14.293 -5.551 2.239 1.00 10.00 C ATOM 152 CD GLN A 29 -14.278 -5.018 3.659 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.419 -3.818 3.884 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.123 -5.905 4.629 1.00 10.00 N ATOM 0 H GLN A 29 -10.618 -5.566 0.738 1.00 10.00 H new ATOM 0 HA GLN A 29 -11.806 -6.379 3.173 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -12.519 -4.480 1.703 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.052 -5.634 0.497 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.011 -4.981 1.649 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -14.637 -6.585 2.247 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.009 -6.893 4.403 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.118 -5.601 5.602 1.00 10.00 H new ATOM 163 N ASP A 30 -11.920 -8.495 0.718 1.00 10.00 N ATOM 164 CA ASP A 30 -12.304 -9.848 0.323 1.00 10.00 C ATOM 165 C ASP A 30 -11.369 -10.891 0.936 1.00 10.00 C ATOM 166 O ASP A 30 -11.332 -12.035 0.484 1.00 10.00 O ATOM 167 CB ASP A 30 -12.308 -9.982 -1.206 1.00 10.00 C ATOM 168 CG ASP A 30 -10.923 -9.860 -1.813 1.00 10.00 C ATOM 169 OD1 ASP A 30 -10.342 -8.752 -1.755 1.00 10.00 O ATOM 170 OD2 ASP A 30 -10.411 -10.865 -2.356 1.00 10.00 O ATOM 0 H ASP A 30 -11.262 -8.044 0.082 1.00 10.00 H new ATOM 0 HA ASP A 30 -13.311 -10.029 0.698 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -12.736 -10.946 -1.480 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -12.954 -9.214 -1.631 1.00 10.00 H new ATOM 175 N SER A 31 -10.622 -10.482 1.964 1.00 10.00 N ATOM 176 CA SER A 31 -9.686 -11.367 2.668 1.00 10.00 C ATOM 177 C SER A 31 -8.510 -11.768 1.768 1.00 10.00 C ATOM 178 O SER A 31 -7.963 -12.864 1.895 1.00 10.00 O ATOM 179 CB SER A 31 -10.414 -12.619 3.190 1.00 10.00 C ATOM 180 OG SER A 31 -11.715 -12.300 3.668 1.00 10.00 O ATOM 0 H SER A 31 -10.647 -9.531 2.332 1.00 10.00 H new ATOM 0 HA SER A 31 -9.284 -10.816 3.518 1.00 10.00 H new ATOM 0 HB2 SER A 31 -10.489 -13.358 2.392 1.00 10.00 H new ATOM 0 HB3 SER A 31 -9.831 -13.073 3.991 1.00 10.00 H new ATOM 0 HG SER A 31 -12.154 -13.115 3.991 1.00 10.00 H new ATOM 186 N SER A 32 -8.117 -10.867 0.876 1.00 10.00 N ATOM 187 CA SER A 32 -7.013 -11.121 -0.043 1.00 10.00 C ATOM 188 C SER A 32 -5.666 -10.796 0.608 1.00 10.00 C ATOM 189 O SER A 32 -5.590 -9.950 1.502 1.00 10.00 O ATOM 190 CB SER A 32 -7.210 -10.278 -1.301 1.00 10.00 C ATOM 191 OG SER A 32 -7.862 -9.062 -0.983 1.00 10.00 O ATOM 0 H SER A 32 -8.549 -9.949 0.769 1.00 10.00 H new ATOM 0 HA SER A 32 -7.006 -12.179 -0.304 1.00 10.00 H new ATOM 0 HB2 SER A 32 -6.244 -10.071 -1.762 1.00 10.00 H new ATOM 0 HB3 SER A 32 -7.799 -10.834 -2.031 1.00 10.00 H new ATOM 0 HG SER A 32 -8.592 -8.906 -1.618 1.00 10.00 H new ATOM 197 N GLU A 33 -4.610 -11.471 0.157 1.00 10.00 N ATOM 198 CA GLU A 33 -3.270 -11.250 0.690 1.00 10.00 C ATOM 199 C GLU A 33 -2.362 -10.683 -0.404 1.00 10.00 C ATOM 200 O GLU A 33 -1.498 -11.376 -0.932 1.00 10.00 O ATOM 201 CB GLU A 33 -2.697 -12.567 1.230 1.00 10.00 C ATOM 202 CG GLU A 33 -1.478 -12.394 2.120 1.00 10.00 C ATOM 203 CD GLU A 33 -0.717 -13.688 2.324 1.00 10.00 C ATOM 204 OE1 GLU A 33 -1.180 -14.545 3.105 1.00 10.00 O ATOM 205 OE2 GLU A 33 0.354 -13.856 1.710 1.00 10.00 O ATOM 0 H GLU A 33 -4.658 -12.177 -0.578 1.00 10.00 H new ATOM 0 HA GLU A 33 -3.324 -10.532 1.508 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -3.474 -13.085 1.792 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.432 -13.207 0.389 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -0.813 -11.652 1.679 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -1.792 -12.005 3.089 1.00 10.00 H new ATOM 212 N ILE A 34 -2.570 -9.425 -0.754 1.00 10.00 N ATOM 213 CA ILE A 34 -1.781 -8.785 -1.800 1.00 10.00 C ATOM 214 C ILE A 34 -0.360 -8.503 -1.319 1.00 10.00 C ATOM 215 O ILE A 34 -0.157 -7.982 -0.226 1.00 10.00 O ATOM 216 CB ILE A 34 -2.445 -7.472 -2.272 1.00 10.00 C ATOM 217 CG1 ILE A 34 -3.868 -7.739 -2.774 1.00 10.00 C ATOM 218 CG2 ILE A 34 -1.614 -6.799 -3.354 1.00 10.00 C ATOM 219 CD1 ILE A 34 -3.943 -8.726 -3.921 1.00 10.00 C ATOM 0 H ILE A 34 -3.278 -8.824 -0.331 1.00 10.00 H new ATOM 0 HA ILE A 34 -1.735 -9.475 -2.642 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.500 -6.796 -1.419 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -4.470 -8.114 -1.946 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -4.313 -6.796 -3.090 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.104 -5.877 -3.668 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.624 -6.568 -2.961 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -1.518 -7.469 -4.209 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -4.983 -8.860 -4.218 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -3.370 -8.345 -4.767 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -3.529 -9.684 -3.605 1.00 10.00 H new ATOM 231 N HIS A 35 0.623 -8.842 -2.143 1.00 10.00 N ATOM 232 CA HIS A 35 2.024 -8.633 -1.795 1.00 10.00 C ATOM 233 C HIS A 35 2.588 -7.430 -2.537 1.00 10.00 C ATOM 234 O HIS A 35 3.079 -7.552 -3.659 1.00 10.00 O ATOM 235 CB HIS A 35 2.854 -9.878 -2.128 1.00 10.00 C ATOM 236 CG HIS A 35 2.704 -10.994 -1.144 1.00 10.00 C ATOM 237 ND1 HIS A 35 3.515 -12.101 -1.192 1.00 10.00 N ATOM 238 CD2 HIS A 35 1.832 -11.133 -0.118 1.00 10.00 C ATOM 239 CE1 HIS A 35 3.125 -12.878 -0.200 1.00 10.00 C ATOM 240 NE2 HIS A 35 2.104 -12.337 0.480 1.00 10.00 N ATOM 0 H HIS A 35 0.476 -9.264 -3.060 1.00 10.00 H new ATOM 0 HA HIS A 35 2.079 -8.445 -0.723 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.568 -10.238 -3.116 1.00 10.00 H new ATOM 0 HB3 HIS A 35 3.905 -9.596 -2.184 1.00 10.00 H new ATOM 0 HD2 HIS A 35 1.067 -10.429 0.174 1.00 10.00 H new ATOM 0 HE1 HIS A 35 3.573 -13.832 0.035 1.00 10.00 H new ATOM 0 HE2 HIS A 35 1.624 -12.741 1.284 1.00 10.00 H new ATOM 248 N PHE A 36 2.522 -6.268 -1.914 1.00 10.00 N ATOM 249 CA PHE A 36 3.024 -5.051 -2.532 1.00 10.00 C ATOM 250 C PHE A 36 4.512 -4.892 -2.243 1.00 10.00 C ATOM 251 O PHE A 36 4.910 -4.703 -1.094 1.00 10.00 O ATOM 252 CB PHE A 36 2.253 -3.837 -2.008 1.00 10.00 C ATOM 253 CG PHE A 36 2.213 -2.660 -2.950 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.823 -2.710 -4.196 1.00 10.00 C ATOM 255 CD2 PHE A 36 1.553 -1.497 -2.583 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.773 -1.629 -5.052 1.00 10.00 C ATOM 257 CE2 PHE A 36 1.502 -0.411 -3.437 1.00 10.00 C ATOM 258 CZ PHE A 36 2.112 -0.479 -4.673 1.00 10.00 C ATOM 0 H PHE A 36 2.127 -6.139 -0.982 1.00 10.00 H new ATOM 0 HA PHE A 36 2.880 -5.119 -3.610 1.00 10.00 H new ATOM 0 HB2 PHE A 36 1.230 -4.142 -1.786 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.702 -3.517 -1.068 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.343 -3.606 -4.499 1.00 10.00 H new ATOM 0 HD2 PHE A 36 1.073 -1.439 -1.617 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.251 -1.683 -6.019 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.986 0.489 -3.137 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.072 0.367 -5.343 1.00 10.00 H new ATOM 268 N LYS A 37 5.334 -4.984 -3.281 1.00 10.00 N ATOM 269 CA LYS A 37 6.775 -4.850 -3.115 1.00 10.00 C ATOM 270 C LYS A 37 7.208 -3.407 -3.350 1.00 10.00 C ATOM 271 O LYS A 37 7.138 -2.899 -4.473 1.00 10.00 O ATOM 272 CB LYS A 37 7.521 -5.787 -4.068 1.00 10.00 C ATOM 273 CG LYS A 37 8.932 -6.116 -3.607 1.00 10.00 C ATOM 274 CD LYS A 37 9.641 -7.056 -4.569 1.00 10.00 C ATOM 275 CE LYS A 37 8.985 -8.428 -4.608 1.00 10.00 C ATOM 276 NZ LYS A 37 9.801 -9.412 -5.367 1.00 10.00 N ATOM 0 H LYS A 37 5.030 -5.150 -4.240 1.00 10.00 H new ATOM 0 HA LYS A 37 7.025 -5.128 -2.091 1.00 10.00 H new ATOM 0 HB2 LYS A 37 6.955 -6.713 -4.173 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.567 -5.328 -5.056 1.00 10.00 H new ATOM 0 HG2 LYS A 37 9.506 -5.194 -3.511 1.00 10.00 H new ATOM 0 HG3 LYS A 37 8.893 -6.572 -2.618 1.00 10.00 H new ATOM 0 HD2 LYS A 37 9.637 -6.623 -5.569 1.00 10.00 H new ATOM 0 HD3 LYS A 37 10.684 -7.161 -4.272 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.836 -8.788 -3.590 1.00 10.00 H new ATOM 0 HE3 LYS A 37 7.999 -8.346 -5.064 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 9.319 -10.334 -5.370 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.922 -9.081 -6.346 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 10.734 -9.510 -4.917 1.00 10.00 H new ATOM 290 N VAL A 38 7.648 -2.757 -2.283 1.00 10.00 N ATOM 291 CA VAL A 38 8.085 -1.370 -2.347 1.00 10.00 C ATOM 292 C VAL A 38 9.575 -1.255 -2.030 1.00 10.00 C ATOM 293 O VAL A 38 10.211 -2.231 -1.626 1.00 10.00 O ATOM 294 CB VAL A 38 7.281 -0.482 -1.361 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.794 -0.801 -1.434 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.780 -0.643 0.069 1.00 10.00 C ATOM 0 H VAL A 38 7.712 -3.173 -1.354 1.00 10.00 H new ATOM 0 HA VAL A 38 7.905 -1.020 -3.364 1.00 10.00 H new ATOM 0 HB VAL A 38 7.434 0.555 -1.659 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.251 -0.166 -0.734 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.432 -0.618 -2.446 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.633 -1.847 -1.175 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.194 -0.007 0.733 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.674 -1.683 0.377 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.830 -0.354 0.123 1.00 10.00 H new ATOM 306 N LYS A 39 10.136 -0.069 -2.218 1.00 10.00 N ATOM 307 CA LYS A 39 11.543 0.157 -1.929 1.00 10.00 C ATOM 308 C LYS A 39 11.681 1.192 -0.820 1.00 10.00 C ATOM 309 O LYS A 39 10.977 2.204 -0.813 1.00 10.00 O ATOM 310 CB LYS A 39 12.295 0.612 -3.182 1.00 10.00 C ATOM 311 CG LYS A 39 13.808 0.566 -3.027 1.00 10.00 C ATOM 312 CD LYS A 39 14.525 0.874 -4.332 1.00 10.00 C ATOM 313 CE LYS A 39 14.369 2.330 -4.726 1.00 10.00 C ATOM 314 NZ LYS A 39 15.339 2.723 -5.778 1.00 10.00 N ATOM 0 H LYS A 39 9.639 0.750 -2.569 1.00 10.00 H new ATOM 0 HA LYS A 39 11.984 -0.783 -1.598 1.00 10.00 H new ATOM 0 HB2 LYS A 39 12.004 -0.019 -4.021 1.00 10.00 H new ATOM 0 HB3 LYS A 39 11.993 1.630 -3.429 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.116 1.283 -2.266 1.00 10.00 H new ATOM 0 HG3 LYS A 39 14.106 -0.421 -2.674 1.00 10.00 H new ATOM 0 HD2 LYS A 39 15.584 0.636 -4.231 1.00 10.00 H new ATOM 0 HD3 LYS A 39 14.129 0.238 -5.124 1.00 10.00 H new ATOM 0 HE2 LYS A 39 13.354 2.503 -5.084 1.00 10.00 H new ATOM 0 HE3 LYS A 39 14.509 2.961 -3.848 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.909 3.525 -5.442 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.964 1.920 -5.992 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.825 3.000 -6.639 1.00 10.00 H new ATOM 328 N MET A 40 12.591 0.936 0.108 1.00 10.00 N ATOM 329 CA MET A 40 12.818 1.833 1.234 1.00 10.00 C ATOM 330 C MET A 40 13.547 3.106 0.798 1.00 10.00 C ATOM 331 O MET A 40 14.760 3.230 0.975 1.00 10.00 O ATOM 332 CB MET A 40 13.613 1.109 2.329 1.00 10.00 C ATOM 333 CG MET A 40 13.879 1.954 3.569 1.00 10.00 C ATOM 334 SD MET A 40 12.373 2.396 4.459 1.00 10.00 S ATOM 335 CE MET A 40 11.965 0.837 5.241 1.00 10.00 C ATOM 0 H MET A 40 13.188 0.109 0.104 1.00 10.00 H new ATOM 0 HA MET A 40 11.847 2.129 1.632 1.00 10.00 H new ATOM 0 HB2 MET A 40 13.069 0.212 2.624 1.00 10.00 H new ATOM 0 HB3 MET A 40 14.567 0.782 1.914 1.00 10.00 H new ATOM 0 HG2 MET A 40 14.543 1.407 4.239 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.401 2.865 3.276 1.00 10.00 H new ATOM 0 HE1 MET A 40 10.960 0.534 4.946 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.680 0.075 4.929 1.00 10.00 H new ATOM 0 HE3 MET A 40 12.006 0.951 6.324 1.00 10.00 H new ATOM 345 N THR A 41 12.797 4.036 0.214 1.00 10.00 N ATOM 346 CA THR A 41 13.344 5.310 -0.241 1.00 10.00 C ATOM 347 C THR A 41 12.288 6.103 -1.015 1.00 10.00 C ATOM 348 O THR A 41 12.244 7.332 -0.942 1.00 10.00 O ATOM 349 CB THR A 41 14.620 5.125 -1.115 1.00 10.00 C ATOM 350 OG1 THR A 41 15.584 6.135 -0.793 1.00 10.00 O ATOM 351 CG2 THR A 41 14.310 5.189 -2.607 1.00 10.00 C ATOM 0 H THR A 41 11.797 3.928 0.043 1.00 10.00 H new ATOM 0 HA THR A 41 13.634 5.869 0.649 1.00 10.00 H new ATOM 0 HB THR A 41 15.020 4.135 -0.895 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.384 6.011 -1.345 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.230 5.055 -3.176 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.605 4.399 -2.866 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.873 6.159 -2.847 1.00 10.00 H new ATOM 359 N THR A 42 11.430 5.394 -1.737 1.00 10.00 N ATOM 360 CA THR A 42 10.394 6.028 -2.530 1.00 10.00 C ATOM 361 C THR A 42 9.207 6.433 -1.661 1.00 10.00 C ATOM 362 O THR A 42 8.787 5.677 -0.783 1.00 10.00 O ATOM 363 CB THR A 42 9.921 5.082 -3.647 1.00 10.00 C ATOM 364 OG1 THR A 42 11.041 4.345 -4.160 1.00 10.00 O ATOM 365 CG2 THR A 42 9.261 5.860 -4.775 1.00 10.00 C ATOM 0 H THR A 42 11.434 4.375 -1.787 1.00 10.00 H new ATOM 0 HA THR A 42 10.818 6.927 -2.976 1.00 10.00 H new ATOM 0 HB THR A 42 9.187 4.394 -3.228 1.00 10.00 H new ATOM 0 HG1 THR A 42 11.337 4.746 -5.004 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.935 5.168 -5.552 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.399 6.402 -4.387 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.975 6.568 -5.195 1.00 10.00 H new ATOM 373 N HIS A 43 8.697 7.638 -1.891 1.00 10.00 N ATOM 374 CA HIS A 43 7.552 8.147 -1.149 1.00 10.00 C ATOM 375 C HIS A 43 6.333 7.269 -1.403 1.00 10.00 C ATOM 376 O HIS A 43 6.122 6.800 -2.524 1.00 10.00 O ATOM 377 CB HIS A 43 7.254 9.590 -1.568 1.00 10.00 C ATOM 378 CG HIS A 43 7.396 10.585 -0.459 1.00 10.00 C ATOM 379 ND1 HIS A 43 8.533 11.342 -0.312 1.00 10.00 N ATOM 380 CD2 HIS A 43 6.519 10.912 0.519 1.00 10.00 C ATOM 381 CE1 HIS A 43 8.324 12.108 0.745 1.00 10.00 C ATOM 382 NE2 HIS A 43 7.117 11.880 1.283 1.00 10.00 N ATOM 0 H HIS A 43 9.063 8.284 -2.591 1.00 10.00 H new ATOM 0 HA HIS A 43 7.786 8.129 -0.084 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.925 9.868 -2.381 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.239 9.641 -1.961 1.00 10.00 H new ATOM 0 HD2 HIS A 43 5.536 10.491 0.669 1.00 10.00 H new ATOM 0 HE1 HIS A 43 9.035 12.826 1.127 1.00 10.00 H new ATOM 0 HE2 HIS A 43 6.720 12.339 2.103 1.00 10.00 H new ATOM 390 N LEU A 44 5.520 7.070 -0.372 1.00 10.00 N ATOM 391 CA LEU A 44 4.329 6.233 -0.485 1.00 10.00 C ATOM 392 C LEU A 44 3.298 6.851 -1.427 1.00 10.00 C ATOM 393 O LEU A 44 2.318 6.203 -1.790 1.00 10.00 O ATOM 394 CB LEU A 44 3.717 5.979 0.895 1.00 10.00 C ATOM 395 CG LEU A 44 4.487 4.974 1.759 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.003 5.018 3.198 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.347 3.567 1.196 1.00 10.00 C ATOM 0 H LEU A 44 5.663 7.477 0.552 1.00 10.00 H new ATOM 0 HA LEU A 44 4.634 5.277 -0.911 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.655 6.926 1.431 1.00 10.00 H new ATOM 0 HB3 LEU A 44 2.696 5.619 0.765 1.00 10.00 H new ATOM 0 HG LEU A 44 5.541 5.251 1.743 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.563 4.297 3.793 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.156 6.018 3.603 1.00 10.00 H new ATOM 0 HD13 LEU A 44 2.942 4.771 3.233 1.00 10.00 H new ATOM 0 HD21 LEU A 44 4.900 2.868 1.823 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.294 3.285 1.179 1.00 10.00 H new ATOM 0 HD23 LEU A 44 4.746 3.539 0.182 1.00 10.00 H new ATOM 409 N LYS A 45 3.535 8.098 -1.827 1.00 10.00 N ATOM 410 CA LYS A 45 2.649 8.799 -2.747 1.00 10.00 C ATOM 411 C LYS A 45 2.495 8.000 -4.039 1.00 10.00 C ATOM 412 O LYS A 45 1.380 7.694 -4.464 1.00 10.00 O ATOM 413 CB LYS A 45 3.216 10.189 -3.062 1.00 10.00 C ATOM 414 CG LYS A 45 2.484 10.923 -4.178 1.00 10.00 C ATOM 415 CD LYS A 45 1.167 11.502 -3.697 1.00 10.00 C ATOM 416 CE LYS A 45 0.280 11.918 -4.858 1.00 10.00 C ATOM 417 NZ LYS A 45 -0.977 12.559 -4.390 1.00 10.00 N ATOM 0 H LYS A 45 4.341 8.646 -1.524 1.00 10.00 H new ATOM 0 HA LYS A 45 1.671 8.909 -2.278 1.00 10.00 H new ATOM 0 HB2 LYS A 45 3.181 10.797 -2.158 1.00 10.00 H new ATOM 0 HB3 LYS A 45 4.266 10.087 -3.337 1.00 10.00 H new ATOM 0 HG2 LYS A 45 3.115 11.724 -4.562 1.00 10.00 H new ATOM 0 HG3 LYS A 45 2.300 10.238 -5.005 1.00 10.00 H new ATOM 0 HD2 LYS A 45 0.646 10.764 -3.087 1.00 10.00 H new ATOM 0 HD3 LYS A 45 1.360 12.364 -3.059 1.00 10.00 H new ATOM 0 HE2 LYS A 45 0.824 12.610 -5.501 1.00 10.00 H new ATOM 0 HE3 LYS A 45 0.039 11.044 -5.463 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.607 12.721 -5.201 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.449 11.937 -3.704 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -0.755 13.468 -3.937 1.00 10.00 H new ATOM 431 N LYS A 46 3.629 7.636 -4.632 1.00 10.00 N ATOM 432 CA LYS A 46 3.636 6.883 -5.879 1.00 10.00 C ATOM 433 C LYS A 46 3.092 5.472 -5.670 1.00 10.00 C ATOM 434 O LYS A 46 2.498 4.891 -6.572 1.00 10.00 O ATOM 435 CB LYS A 46 5.052 6.813 -6.460 1.00 10.00 C ATOM 436 CG LYS A 46 5.114 6.197 -7.853 1.00 10.00 C ATOM 437 CD LYS A 46 4.665 7.181 -8.924 1.00 10.00 C ATOM 438 CE LYS A 46 4.338 6.481 -10.235 1.00 10.00 C ATOM 439 NZ LYS A 46 2.927 6.014 -10.281 1.00 10.00 N ATOM 0 H LYS A 46 4.556 7.852 -4.266 1.00 10.00 H new ATOM 0 HA LYS A 46 2.989 7.404 -6.585 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.469 7.819 -6.499 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.683 6.232 -5.787 1.00 10.00 H new ATOM 0 HG2 LYS A 46 6.133 5.872 -8.062 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.483 5.309 -7.887 1.00 10.00 H new ATOM 0 HD2 LYS A 46 3.787 7.724 -8.573 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.450 7.918 -9.092 1.00 10.00 H new ATOM 0 HE2 LYS A 46 4.521 7.163 -11.065 1.00 10.00 H new ATOM 0 HE3 LYS A 46 5.006 5.630 -10.368 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 2.656 5.826 -11.267 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 2.832 5.141 -9.723 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 2.305 6.748 -9.885 1.00 10.00 H new ATOM 453 N LEU A 47 3.292 4.930 -4.479 1.00 10.00 N ATOM 454 CA LEU A 47 2.824 3.585 -4.168 1.00 10.00 C ATOM 455 C LEU A 47 1.300 3.534 -4.106 1.00 10.00 C ATOM 456 O LEU A 47 0.677 2.641 -4.685 1.00 10.00 O ATOM 457 CB LEU A 47 3.416 3.103 -2.838 1.00 10.00 C ATOM 458 CG LEU A 47 4.838 2.527 -2.910 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.925 1.441 -3.970 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.859 3.621 -3.186 1.00 10.00 C ATOM 0 H LEU A 47 3.774 5.398 -3.712 1.00 10.00 H new ATOM 0 HA LEU A 47 3.159 2.924 -4.967 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.418 3.939 -2.138 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.756 2.341 -2.423 1.00 10.00 H new ATOM 0 HG LEU A 47 5.068 2.085 -1.941 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.941 1.047 -4.004 1.00 10.00 H new ATOM 0 HD12 LEU A 47 4.232 0.637 -3.725 1.00 10.00 H new ATOM 0 HD13 LEU A 47 4.665 1.860 -4.942 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.857 3.184 -3.232 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.629 4.102 -4.137 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.823 4.362 -2.387 1.00 10.00 H new ATOM 472 N LYS A 48 0.708 4.510 -3.430 1.00 10.00 N ATOM 473 CA LYS A 48 -0.740 4.571 -3.276 1.00 10.00 C ATOM 474 C LYS A 48 -1.452 4.715 -4.622 1.00 10.00 C ATOM 475 O LYS A 48 -2.406 3.990 -4.903 1.00 10.00 O ATOM 476 CB LYS A 48 -1.126 5.731 -2.354 1.00 10.00 C ATOM 477 CG LYS A 48 -0.676 5.540 -0.915 1.00 10.00 C ATOM 478 CD LYS A 48 -0.939 6.779 -0.071 1.00 10.00 C ATOM 479 CE LYS A 48 -2.426 6.998 0.169 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.686 8.211 0.990 1.00 10.00 N ATOM 0 H LYS A 48 1.211 5.274 -2.978 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.061 3.630 -2.830 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.692 6.653 -2.742 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.209 5.855 -2.374 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.198 4.687 -0.481 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.388 5.306 -0.895 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.427 6.681 0.887 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.519 7.653 -0.569 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.938 7.092 -0.789 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.845 6.125 0.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.710 8.390 1.030 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.322 8.063 1.953 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.208 9.029 0.561 1.00 10.00 H new ATOM 494 N GLU A 49 -0.979 5.635 -5.455 1.00 10.00 N ATOM 495 CA GLU A 49 -1.593 5.873 -6.761 1.00 10.00 C ATOM 496 C GLU A 49 -1.461 4.662 -7.687 1.00 10.00 C ATOM 497 O GLU A 49 -2.420 4.288 -8.367 1.00 10.00 O ATOM 498 CB GLU A 49 -0.989 7.115 -7.423 1.00 10.00 C ATOM 499 CG GLU A 49 0.527 7.107 -7.456 1.00 10.00 C ATOM 500 CD GLU A 49 1.105 8.278 -8.214 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.187 9.380 -7.640 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.494 8.093 -9.387 1.00 10.00 O ATOM 0 H GLU A 49 -0.174 6.228 -5.252 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.656 6.042 -6.590 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.366 7.193 -8.443 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.328 8.003 -6.889 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.908 7.118 -6.435 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.870 6.179 -7.914 1.00 10.00 H new ATOM 509 N SER A 50 -0.287 4.037 -7.695 1.00 10.00 N ATOM 510 CA SER A 50 -0.045 2.878 -8.548 1.00 10.00 C ATOM 511 C SER A 50 -0.916 1.696 -8.125 1.00 10.00 C ATOM 512 O SER A 50 -1.325 0.886 -8.961 1.00 10.00 O ATOM 513 CB SER A 50 1.439 2.492 -8.519 1.00 10.00 C ATOM 514 OG SER A 50 2.262 3.621 -8.775 1.00 10.00 O ATOM 0 H SER A 50 0.510 4.313 -7.122 1.00 10.00 H new ATOM 0 HA SER A 50 -0.314 3.146 -9.570 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.689 2.068 -7.547 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.633 1.720 -9.263 1.00 10.00 H new ATOM 0 HG SER A 50 2.623 3.961 -7.930 1.00 10.00 H new ATOM 520 N TYR A 51 -1.204 1.606 -6.829 1.00 10.00 N ATOM 521 CA TYR A 51 -2.038 0.531 -6.311 1.00 10.00 C ATOM 522 C TYR A 51 -3.480 0.718 -6.776 1.00 10.00 C ATOM 523 O TYR A 51 -4.164 -0.247 -7.118 1.00 10.00 O ATOM 524 CB TYR A 51 -1.974 0.491 -4.782 1.00 10.00 C ATOM 525 CG TYR A 51 -2.583 -0.756 -4.174 1.00 10.00 C ATOM 526 CD1 TYR A 51 -1.822 -1.901 -3.981 1.00 10.00 C ATOM 527 CD2 TYR A 51 -3.919 -0.788 -3.792 1.00 10.00 C ATOM 528 CE1 TYR A 51 -2.372 -3.040 -3.427 1.00 10.00 C ATOM 529 CE2 TYR A 51 -4.477 -1.922 -3.235 1.00 10.00 C ATOM 530 CZ TYR A 51 -3.699 -3.045 -3.056 1.00 10.00 C ATOM 531 OH TYR A 51 -4.252 -4.177 -2.506 1.00 10.00 O ATOM 0 H TYR A 51 -0.872 2.263 -6.123 1.00 10.00 H new ATOM 0 HA TYR A 51 -1.663 -0.418 -6.696 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -0.932 0.564 -4.470 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.488 1.366 -4.384 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -0.781 -1.901 -4.269 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -4.532 0.090 -3.933 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -1.765 -3.922 -3.285 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -5.516 -1.928 -2.942 1.00 10.00 H new ATOM 0 HH TYR A 51 -5.196 -4.013 -2.300 1.00 10.00 H new ATOM 541 N CYS A 52 -3.927 1.972 -6.803 1.00 10.00 N ATOM 542 CA CYS A 52 -5.280 2.296 -7.239 1.00 10.00 C ATOM 543 C CYS A 52 -5.485 1.842 -8.678 1.00 10.00 C ATOM 544 O CYS A 52 -6.528 1.285 -9.026 1.00 10.00 O ATOM 545 CB CYS A 52 -5.538 3.802 -7.124 1.00 10.00 C ATOM 546 SG CYS A 52 -5.284 4.478 -5.464 1.00 10.00 S ATOM 0 H CYS A 52 -3.369 2.780 -6.527 1.00 10.00 H new ATOM 0 HA CYS A 52 -5.986 1.773 -6.594 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.883 4.325 -7.821 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.562 4.008 -7.434 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.156 4.043 -4.986 1.00 10.00 H new ATOM 552 N GLN A 53 -4.468 2.062 -9.506 1.00 10.00 N ATOM 553 CA GLN A 53 -4.521 1.670 -10.907 1.00 10.00 C ATOM 554 C GLN A 53 -4.610 0.152 -11.035 1.00 10.00 C ATOM 555 O GLN A 53 -5.307 -0.369 -11.905 1.00 10.00 O ATOM 556 CB GLN A 53 -3.284 2.182 -11.643 1.00 10.00 C ATOM 557 CG GLN A 53 -3.112 3.689 -11.572 1.00 10.00 C ATOM 558 CD GLN A 53 -1.713 4.127 -11.960 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.743 3.395 -11.754 1.00 10.00 O ATOM 560 NE2 GLN A 53 -1.598 5.319 -12.526 1.00 10.00 N ATOM 0 H GLN A 53 -3.595 2.511 -9.228 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.411 2.111 -11.355 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.399 1.704 -11.224 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.344 1.881 -12.689 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.836 4.167 -12.232 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -3.330 4.030 -10.560 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -2.427 5.893 -12.678 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -0.680 5.663 -12.809 1.00 10.00 H new ATOM 569 N ARG A 54 -3.909 -0.548 -10.148 1.00 10.00 N ATOM 570 CA ARG A 54 -3.901 -2.007 -10.146 1.00 10.00 C ATOM 571 C ARG A 54 -5.290 -2.560 -9.828 1.00 10.00 C ATOM 572 O ARG A 54 -5.687 -3.604 -10.348 1.00 10.00 O ATOM 573 CB ARG A 54 -2.877 -2.522 -9.127 1.00 10.00 C ATOM 574 CG ARG A 54 -2.856 -4.036 -8.964 1.00 10.00 C ATOM 575 CD ARG A 54 -2.238 -4.725 -10.170 1.00 10.00 C ATOM 576 NE ARG A 54 -1.762 -6.069 -9.844 1.00 10.00 N ATOM 577 CZ ARG A 54 -0.906 -6.765 -10.592 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.461 -6.277 -11.744 1.00 10.00 N ATOM 579 NH2 ARG A 54 -0.495 -7.955 -10.190 1.00 10.00 N ATOM 0 H ARG A 54 -3.336 -0.125 -9.418 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.619 -2.352 -11.141 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -1.884 -2.188 -9.428 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.087 -2.068 -8.159 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -2.293 -4.297 -8.068 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -3.873 -4.400 -8.819 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -2.975 -4.785 -10.971 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.408 -4.126 -10.544 1.00 10.00 H new ATOM 0 HE ARG A 54 -2.108 -6.502 -8.988 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.774 -5.361 -12.065 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.194 -6.818 -12.308 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -0.833 -8.340 -9.308 1.00 10.00 H new ATOM 0 HH22 ARG A 54 0.160 -8.488 -10.762 1.00 10.00 H new ATOM 593 N GLN A 55 -6.027 -1.853 -8.977 1.00 10.00 N ATOM 594 CA GLN A 55 -7.369 -2.280 -8.595 1.00 10.00 C ATOM 595 C GLN A 55 -8.413 -1.739 -9.571 1.00 10.00 C ATOM 596 O GLN A 55 -9.598 -2.061 -9.470 1.00 10.00 O ATOM 597 CB GLN A 55 -7.693 -1.832 -7.166 1.00 10.00 C ATOM 598 CG GLN A 55 -6.751 -2.401 -6.114 1.00 10.00 C ATOM 599 CD GLN A 55 -6.599 -3.911 -6.206 1.00 10.00 C ATOM 600 OE1 GLN A 55 -5.715 -4.418 -6.896 1.00 10.00 O ATOM 601 NE2 GLN A 55 -7.460 -4.637 -5.510 1.00 10.00 N ATOM 0 H GLN A 55 -5.719 -0.984 -8.540 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.398 -3.369 -8.632 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.659 -0.744 -7.120 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.714 -2.129 -6.925 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -5.771 -1.936 -6.222 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.121 -2.138 -5.123 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.179 -4.178 -4.950 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.405 -5.655 -5.534 1.00 10.00 H new ATOM 610 N GLY A 56 -7.964 -0.914 -10.510 1.00 10.00 N ATOM 611 CA GLY A 56 -8.858 -0.346 -11.502 1.00 10.00 C ATOM 612 C GLY A 56 -9.782 0.712 -10.929 1.00 10.00 C ATOM 613 O GLY A 56 -10.930 0.834 -11.351 1.00 10.00 O ATOM 0 H GLY A 56 -6.990 -0.627 -10.602 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.268 0.092 -12.307 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.456 -1.143 -11.943 1.00 10.00 H new ATOM 617 N VAL A 57 -9.282 1.481 -9.970 1.00 10.00 N ATOM 618 CA VAL A 57 -10.073 2.532 -9.337 1.00 10.00 C ATOM 619 C VAL A 57 -9.286 3.836 -9.288 1.00 10.00 C ATOM 620 O VAL A 57 -8.059 3.826 -9.400 1.00 10.00 O ATOM 621 CB VAL A 57 -10.500 2.138 -7.903 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.568 1.057 -7.938 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.303 1.679 -7.086 1.00 10.00 C ATOM 0 H VAL A 57 -8.331 1.397 -9.612 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.971 2.668 -9.940 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.920 3.022 -7.423 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.854 0.795 -6.919 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.441 1.425 -8.476 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.176 0.174 -8.443 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.630 1.408 -6.082 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.846 0.813 -7.565 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.574 2.487 -7.024 1.00 10.00 H new ATOM 633 N PRO A 58 -9.977 4.982 -9.162 1.00 10.00 N ATOM 634 CA PRO A 58 -9.316 6.286 -9.076 1.00 10.00 C ATOM 635 C PRO A 58 -8.608 6.452 -7.737 1.00 10.00 C ATOM 636 O PRO A 58 -8.820 5.666 -6.817 1.00 10.00 O ATOM 637 CB PRO A 58 -10.475 7.282 -9.198 1.00 10.00 C ATOM 638 CG PRO A 58 -11.665 6.538 -8.711 1.00 10.00 C ATOM 639 CD PRO A 58 -11.447 5.105 -9.113 1.00 10.00 C ATOM 0 HA PRO A 58 -8.550 6.422 -9.840 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -10.294 8.175 -8.600 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -10.608 7.610 -10.229 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.767 6.629 -7.630 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -12.580 6.933 -9.152 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.884 4.415 -8.392 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.901 4.886 -10.079 1.00 10.00 H new ATOM 647 N MET A 59 -7.767 7.463 -7.625 1.00 10.00 N ATOM 648 CA MET A 59 -7.052 7.700 -6.379 1.00 10.00 C ATOM 649 C MET A 59 -7.992 8.308 -5.342 1.00 10.00 C ATOM 650 O MET A 59 -8.994 8.926 -5.702 1.00 10.00 O ATOM 651 CB MET A 59 -5.847 8.615 -6.610 1.00 10.00 C ATOM 652 CG MET A 59 -4.840 8.584 -5.470 1.00 10.00 C ATOM 653 SD MET A 59 -3.373 9.572 -5.800 1.00 10.00 S ATOM 654 CE MET A 59 -2.368 9.145 -4.383 1.00 10.00 C ATOM 0 H MET A 59 -7.562 8.128 -8.371 1.00 10.00 H new ATOM 0 HA MET A 59 -6.685 6.744 -6.004 1.00 10.00 H new ATOM 0 HB2 MET A 59 -5.349 8.321 -7.534 1.00 10.00 H new ATOM 0 HB3 MET A 59 -6.198 9.638 -6.748 1.00 10.00 H new ATOM 0 HG2 MET A 59 -5.318 8.947 -4.560 1.00 10.00 H new ATOM 0 HG3 MET A 59 -4.542 7.552 -5.284 1.00 10.00 H new ATOM 0 HE1 MET A 59 -1.520 9.826 -4.320 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.966 9.225 -3.475 1.00 10.00 H new ATOM 0 HE3 MET A 59 -2.005 8.123 -4.489 1.00 10.00 H new ATOM 664 N ASN A 60 -7.672 8.093 -4.061 1.00 10.00 N ATOM 665 CA ASN A 60 -8.461 8.612 -2.931 1.00 10.00 C ATOM 666 C ASN A 60 -9.729 7.798 -2.708 1.00 10.00 C ATOM 667 O ASN A 60 -10.548 8.133 -1.850 1.00 10.00 O ATOM 668 CB ASN A 60 -8.812 10.096 -3.113 1.00 10.00 C ATOM 669 CG ASN A 60 -7.650 11.009 -2.785 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.863 11.372 -3.661 1.00 10.00 O ATOM 671 ND2 ASN A 60 -7.528 11.384 -1.520 1.00 10.00 N ATOM 0 H ASN A 60 -6.856 7.552 -3.775 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.832 8.517 -2.046 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -9.127 10.268 -4.142 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -9.659 10.347 -2.475 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -6.761 11.996 -1.241 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -8.201 11.061 -0.825 1.00 10.00 H new ATOM 678 N SER A 61 -9.887 6.728 -3.472 1.00 10.00 N ATOM 679 CA SER A 61 -11.050 5.864 -3.332 1.00 10.00 C ATOM 680 C SER A 61 -10.819 4.878 -2.194 1.00 10.00 C ATOM 681 O SER A 61 -11.713 4.603 -1.393 1.00 10.00 O ATOM 682 CB SER A 61 -11.310 5.111 -4.635 1.00 10.00 C ATOM 683 OG SER A 61 -10.161 4.381 -5.031 1.00 10.00 O ATOM 0 H SER A 61 -9.227 6.437 -4.193 1.00 10.00 H new ATOM 0 HA SER A 61 -11.923 6.476 -3.106 1.00 10.00 H new ATOM 0 HB2 SER A 61 -12.152 4.431 -4.506 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.587 5.816 -5.419 1.00 10.00 H new ATOM 0 HG SER A 61 -9.572 4.959 -5.559 1.00 10.00 H new ATOM 689 N LEU A 62 -9.601 4.354 -2.136 1.00 10.00 N ATOM 690 CA LEU A 62 -9.213 3.403 -1.110 1.00 10.00 C ATOM 691 C LEU A 62 -8.233 4.043 -0.135 1.00 10.00 C ATOM 692 O LEU A 62 -7.361 4.819 -0.535 1.00 10.00 O ATOM 693 CB LEU A 62 -8.567 2.171 -1.748 1.00 10.00 C ATOM 694 CG LEU A 62 -9.402 1.471 -2.823 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.573 0.416 -3.535 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.646 0.840 -2.216 1.00 10.00 C ATOM 0 H LEU A 62 -8.858 4.578 -2.798 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.108 3.100 -0.567 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.615 2.468 -2.188 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.343 1.451 -0.961 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.716 2.220 -3.550 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.182 -0.072 -4.296 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.711 0.888 -4.007 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.231 -0.326 -2.813 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.224 0.348 -2.999 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.352 0.105 -1.466 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.255 1.613 -1.747 1.00 10.00 H new ATOM 708 N ARG A 63 -8.376 3.714 1.136 1.00 10.00 N ATOM 709 CA ARG A 63 -7.502 4.245 2.167 1.00 10.00 C ATOM 710 C ARG A 63 -6.664 3.127 2.766 1.00 10.00 C ATOM 711 O ARG A 63 -7.177 2.050 3.081 1.00 10.00 O ATOM 712 CB ARG A 63 -8.315 4.952 3.258 1.00 10.00 C ATOM 713 CG ARG A 63 -9.354 4.065 3.922 1.00 10.00 C ATOM 714 CD ARG A 63 -10.168 4.838 4.940 1.00 10.00 C ATOM 715 NE ARG A 63 -11.282 4.052 5.459 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.511 4.527 5.651 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.814 5.784 5.339 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.450 3.728 6.137 1.00 10.00 N ATOM 0 H ARG A 63 -9.094 3.077 1.481 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.836 4.979 1.713 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.632 5.329 4.020 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.815 5.817 2.822 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.017 3.648 3.164 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.860 3.225 4.410 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.523 5.142 5.765 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.550 5.750 4.482 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.108 3.074 5.690 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.100 6.398 4.947 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.760 6.134 5.492 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.228 2.758 6.361 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.394 4.083 6.287 1.00 10.00 H new ATOM 732 N PHE A 64 -5.373 3.377 2.895 1.00 10.00 N ATOM 733 CA PHE A 64 -4.458 2.399 3.453 1.00 10.00 C ATOM 734 C PHE A 64 -4.330 2.605 4.953 1.00 10.00 C ATOM 735 O PHE A 64 -3.941 3.684 5.406 1.00 10.00 O ATOM 736 CB PHE A 64 -3.085 2.517 2.791 1.00 10.00 C ATOM 737 CG PHE A 64 -3.084 2.152 1.335 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.362 3.103 0.368 1.00 10.00 C ATOM 739 CD2 PHE A 64 -2.804 0.855 0.934 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.363 2.770 -0.970 1.00 10.00 C ATOM 741 CE2 PHE A 64 -2.803 0.516 -0.404 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.083 1.477 -1.356 1.00 10.00 C ATOM 0 H PHE A 64 -4.933 4.255 2.619 1.00 10.00 H new ATOM 0 HA PHE A 64 -4.854 1.401 3.262 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.725 3.540 2.900 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.381 1.874 3.318 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.581 4.118 0.665 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -2.584 0.102 1.676 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.583 3.521 -1.714 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -2.584 -0.498 -0.706 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.082 1.215 -2.404 1.00 10.00 H new ATOM 752 N LEU A 65 -4.663 1.580 5.716 1.00 10.00 N ATOM 753 CA LEU A 65 -4.591 1.650 7.164 1.00 10.00 C ATOM 754 C LEU A 65 -3.402 0.852 7.676 1.00 10.00 C ATOM 755 O LEU A 65 -3.309 -0.358 7.467 1.00 10.00 O ATOM 756 CB LEU A 65 -5.884 1.130 7.798 1.00 10.00 C ATOM 757 CG LEU A 65 -7.149 1.923 7.455 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.351 1.318 8.157 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.992 3.392 7.833 1.00 10.00 C ATOM 0 H LEU A 65 -4.988 0.684 5.354 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.462 2.695 7.447 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.030 0.095 7.489 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.761 1.125 8.881 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.307 1.869 6.378 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.245 1.890 7.906 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.479 0.285 7.834 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.194 1.345 9.235 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.904 3.932 7.579 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.808 3.474 8.904 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.152 3.821 7.286 1.00 10.00 H new ATOM 771 N PHE A 66 -2.493 1.545 8.331 1.00 10.00 N ATOM 772 CA PHE A 66 -1.308 0.929 8.893 1.00 10.00 C ATOM 773 C PHE A 66 -1.223 1.293 10.365 1.00 10.00 C ATOM 774 O PHE A 66 -1.172 2.475 10.708 1.00 10.00 O ATOM 775 CB PHE A 66 -0.054 1.398 8.150 1.00 10.00 C ATOM 776 CG PHE A 66 1.217 0.777 8.653 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.494 -0.555 8.402 1.00 10.00 C ATOM 778 CD2 PHE A 66 2.133 1.529 9.371 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.663 -1.128 8.860 1.00 10.00 C ATOM 780 CE2 PHE A 66 3.304 0.962 9.832 1.00 10.00 C ATOM 781 CZ PHE A 66 3.571 -0.369 9.577 1.00 10.00 C ATOM 0 H PHE A 66 -2.555 2.551 8.489 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.372 -0.154 8.786 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.164 1.169 7.090 1.00 10.00 H new ATOM 0 HB3 PHE A 66 0.024 2.482 8.236 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.789 -1.152 7.843 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.928 2.570 9.572 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.869 -2.169 8.659 1.00 10.00 H new ATOM 0 HE2 PHE A 66 4.010 1.558 10.391 1.00 10.00 H new ATOM 0 HZ PHE A 66 4.486 -0.816 9.936 1.00 10.00 H new ATOM 791 N GLU A 67 -1.246 0.277 11.225 1.00 10.00 N ATOM 792 CA GLU A 67 -1.186 0.481 12.672 1.00 10.00 C ATOM 793 C GLU A 67 -2.425 1.228 13.164 1.00 10.00 C ATOM 794 O GLU A 67 -2.423 1.827 14.241 1.00 10.00 O ATOM 795 CB GLU A 67 0.082 1.249 13.053 1.00 10.00 C ATOM 796 CG GLU A 67 1.334 0.387 13.107 1.00 10.00 C ATOM 797 CD GLU A 67 1.718 0.014 14.523 1.00 10.00 C ATOM 798 OE1 GLU A 67 2.498 -0.944 14.703 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.241 0.679 15.468 1.00 10.00 O ATOM 0 H GLU A 67 -1.306 -0.701 10.943 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.159 -0.497 13.153 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.238 2.053 12.334 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.067 1.716 14.026 1.00 10.00 H new ATOM 0 HG2 GLU A 67 1.172 -0.521 12.526 1.00 10.00 H new ATOM 0 HG3 GLU A 67 2.160 0.922 12.638 1.00 10.00 H new ATOM 806 N GLY A 68 -3.482 1.191 12.363 1.00 10.00 N ATOM 807 CA GLY A 68 -4.713 1.862 12.722 1.00 10.00 C ATOM 808 C GLY A 68 -4.798 3.262 12.150 1.00 10.00 C ATOM 809 O GLY A 68 -5.874 3.862 12.120 1.00 10.00 O ATOM 0 H GLY A 68 -3.507 0.705 11.467 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.560 1.275 12.366 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.793 1.911 13.808 1.00 10.00 H new ATOM 813 N GLN A 69 -3.666 3.779 11.690 1.00 10.00 N ATOM 814 CA GLN A 69 -3.612 5.118 11.121 1.00 10.00 C ATOM 815 C GLN A 69 -3.711 5.056 9.604 1.00 10.00 C ATOM 816 O GLN A 69 -3.383 4.039 8.993 1.00 10.00 O ATOM 817 CB GLN A 69 -2.315 5.816 11.534 1.00 10.00 C ATOM 818 CG GLN A 69 -2.171 5.995 13.036 1.00 10.00 C ATOM 819 CD GLN A 69 -1.034 6.928 13.406 1.00 10.00 C ATOM 820 OE1 GLN A 69 -0.040 7.035 12.688 1.00 10.00 O ATOM 821 NE2 GLN A 69 -1.177 7.618 14.525 1.00 10.00 N ATOM 0 H GLN A 69 -2.771 3.289 11.700 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.458 5.690 11.502 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.468 5.239 11.163 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -2.270 6.794 11.054 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -3.104 6.386 13.443 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -2.004 5.023 13.500 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -2.016 7.501 15.093 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -0.448 8.267 14.820 1.00 10.00 H new ATOM 830 N ARG A 70 -4.166 6.140 8.995 1.00 10.00 N ATOM 831 CA ARG A 70 -4.297 6.186 7.550 1.00 10.00 C ATOM 832 C ARG A 70 -3.023 6.739 6.932 1.00 10.00 C ATOM 833 O ARG A 70 -2.560 7.819 7.294 1.00 10.00 O ATOM 834 CB ARG A 70 -5.518 7.013 7.125 1.00 10.00 C ATOM 835 CG ARG A 70 -5.549 8.430 7.677 1.00 10.00 C ATOM 836 CD ARG A 70 -6.815 9.164 7.253 1.00 10.00 C ATOM 837 NE ARG A 70 -6.870 9.381 5.803 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.927 9.092 5.036 1.00 10.00 C ATOM 839 NH1 ARG A 70 -9.027 8.570 5.565 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.890 9.337 3.733 1.00 10.00 N ATOM 0 H ARG A 70 -4.449 6.994 9.476 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.452 5.170 7.186 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.546 7.061 6.036 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -6.421 6.493 7.445 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -5.491 8.400 8.765 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -4.674 8.978 7.327 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.688 8.591 7.566 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.864 10.125 7.765 1.00 10.00 H new ATOM 0 HE ARG A 70 -6.047 9.779 5.350 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -9.073 8.385 6.567 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.826 8.354 4.969 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -7.055 9.746 3.315 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.697 9.116 3.149 1.00 10.00 H new ATOM 854 N ILE A 71 -2.448 5.977 6.018 1.00 10.00 N ATOM 855 CA ILE A 71 -1.221 6.377 5.350 1.00 10.00 C ATOM 856 C ILE A 71 -1.445 7.633 4.516 1.00 10.00 C ATOM 857 O ILE A 71 -2.276 7.650 3.604 1.00 10.00 O ATOM 858 CB ILE A 71 -0.677 5.244 4.452 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.261 4.043 5.306 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.493 5.730 3.607 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.781 4.373 6.354 1.00 10.00 C ATOM 0 H ILE A 71 -2.813 5.073 5.720 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.483 6.590 6.123 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.473 4.933 3.776 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.144 3.636 5.799 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.128 3.261 4.653 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.857 4.912 2.984 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.166 6.552 2.971 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.295 6.073 4.260 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.026 3.474 6.919 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.680 4.751 5.867 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.389 5.132 7.031 1.00 10.00 H new ATOM 873 N ALA A 72 -0.707 8.682 4.843 1.00 10.00 N ATOM 874 CA ALA A 72 -0.813 9.944 4.133 1.00 10.00 C ATOM 875 C ALA A 72 -0.010 9.891 2.841 1.00 10.00 C ATOM 876 O ALA A 72 0.805 8.990 2.641 1.00 10.00 O ATOM 877 CB ALA A 72 -0.338 11.090 5.015 1.00 10.00 C ATOM 0 H ALA A 72 -0.024 8.682 5.601 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.859 10.117 3.881 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -0.424 12.029 4.469 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.952 11.136 5.914 1.00 10.00 H new ATOM 0 HB3 ALA A 72 0.703 10.927 5.295 1.00 10.00 H new ATOM 883 N ASP A 73 -0.235 10.861 1.971 1.00 10.00 N ATOM 884 CA ASP A 73 0.465 10.914 0.691 1.00 10.00 C ATOM 885 C ASP A 73 1.898 11.392 0.873 1.00 10.00 C ATOM 886 O ASP A 73 2.728 11.253 -0.021 1.00 10.00 O ATOM 887 CB ASP A 73 -0.274 11.826 -0.291 1.00 10.00 C ATOM 888 CG ASP A 73 -1.427 11.122 -0.975 1.00 10.00 C ATOM 889 OD1 ASP A 73 -2.191 10.417 -0.281 1.00 10.00 O ATOM 890 OD2 ASP A 73 -1.574 11.266 -2.203 1.00 10.00 O ATOM 0 H ASP A 73 -0.895 11.623 2.124 1.00 10.00 H new ATOM 0 HA ASP A 73 0.489 9.904 0.281 1.00 10.00 H new ATOM 0 HB2 ASP A 73 -0.649 12.700 0.241 1.00 10.00 H new ATOM 0 HB3 ASP A 73 0.426 12.188 -1.044 1.00 10.00 H new ATOM 895 N ASN A 74 2.187 11.941 2.044 1.00 10.00 N ATOM 896 CA ASN A 74 3.521 12.443 2.348 1.00 10.00 C ATOM 897 C ASN A 74 4.261 11.490 3.280 1.00 10.00 C ATOM 898 O ASN A 74 5.317 11.827 3.817 1.00 10.00 O ATOM 899 CB ASN A 74 3.431 13.836 2.980 1.00 10.00 C ATOM 900 CG ASN A 74 2.757 13.818 4.339 1.00 10.00 C ATOM 901 OD1 ASN A 74 1.532 13.806 4.435 1.00 10.00 O ATOM 902 ND2 ASN A 74 3.549 13.824 5.400 1.00 10.00 N ATOM 0 H ASN A 74 1.514 12.051 2.802 1.00 10.00 H new ATOM 0 HA ASN A 74 4.080 12.512 1.415 1.00 10.00 H new ATOM 0 HB2 ASN A 74 4.434 14.250 3.082 1.00 10.00 H new ATOM 0 HB3 ASN A 74 2.879 14.498 2.313 1.00 10.00 H new ATOM 0 HD21 ASN A 74 3.146 13.819 6.337 1.00 10.00 H new ATOM 0 HD22 ASN A 74 4.562 13.834 5.280 1.00 10.00 H new ATOM 909 N HIS A 75 3.711 10.298 3.459 1.00 10.00 N ATOM 910 CA HIS A 75 4.315 9.301 4.332 1.00 10.00 C ATOM 911 C HIS A 75 5.380 8.498 3.599 1.00 10.00 C ATOM 912 O HIS A 75 5.314 8.312 2.379 1.00 10.00 O ATOM 913 CB HIS A 75 3.248 8.353 4.883 1.00 10.00 C ATOM 914 CG HIS A 75 2.540 8.867 6.102 1.00 10.00 C ATOM 915 ND1 HIS A 75 1.488 8.180 6.662 1.00 10.00 N ATOM 916 CD2 HIS A 75 2.769 9.989 6.827 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.108 8.888 7.713 1.00 10.00 C ATOM 918 NE2 HIS A 75 1.856 9.991 7.850 1.00 10.00 N ATOM 0 H HIS A 75 2.846 9.997 3.011 1.00 10.00 H new ATOM 0 HA HIS A 75 4.788 9.831 5.159 1.00 10.00 H new ATOM 0 HB2 HIS A 75 2.512 8.160 4.103 1.00 10.00 H new ATOM 0 HB3 HIS A 75 3.715 7.398 5.123 1.00 10.00 H new ATOM 0 HD2 HIS A 75 3.524 10.737 6.636 1.00 10.00 H new ATOM 0 HE1 HIS A 75 0.300 8.613 8.374 1.00 10.00 H new ATOM 0 HE2 HIS A 75 1.764 10.699 8.578 1.00 10.00 H new ATOM 926 N THR A 76 6.365 8.034 4.346 1.00 10.00 N ATOM 927 CA THR A 76 7.443 7.235 3.796 1.00 10.00 C ATOM 928 C THR A 76 7.580 5.936 4.584 1.00 10.00 C ATOM 929 O THR A 76 7.190 5.877 5.749 1.00 10.00 O ATOM 930 CB THR A 76 8.784 7.998 3.836 1.00 10.00 C ATOM 931 OG1 THR A 76 8.937 8.672 5.092 1.00 10.00 O ATOM 932 CG2 THR A 76 8.879 9.004 2.700 1.00 10.00 C ATOM 0 H THR A 76 6.440 8.200 5.350 1.00 10.00 H new ATOM 0 HA THR A 76 7.200 7.016 2.756 1.00 10.00 H new ATOM 0 HB THR A 76 9.585 7.268 3.718 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.148 9.228 5.263 1.00 10.00 H new ATOM 0 HG21 THR A 76 9.835 9.526 2.755 1.00 10.00 H new ATOM 0 HG22 THR A 76 8.804 8.483 1.745 1.00 10.00 H new ATOM 0 HG23 THR A 76 8.066 9.726 2.784 1.00 10.00 H new ATOM 940 N PRO A 77 8.122 4.872 3.968 1.00 10.00 N ATOM 941 CA PRO A 77 8.307 3.583 4.647 1.00 10.00 C ATOM 942 C PRO A 77 9.318 3.687 5.788 1.00 10.00 C ATOM 943 O PRO A 77 9.394 2.814 6.652 1.00 10.00 O ATOM 944 CB PRO A 77 8.840 2.659 3.544 1.00 10.00 C ATOM 945 CG PRO A 77 8.543 3.357 2.261 1.00 10.00 C ATOM 946 CD PRO A 77 8.571 4.825 2.570 1.00 10.00 C ATOM 0 HA PRO A 77 7.384 3.224 5.101 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.910 2.488 3.659 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.355 1.683 3.581 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.282 3.105 1.500 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.569 3.059 1.872 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.570 5.244 2.452 1.00 10.00 H new ATOM 0 HD3 PRO A 77 7.909 5.389 1.913 1.00 10.00 H new ATOM 954 N LYS A 78 10.084 4.773 5.777 1.00 10.00 N ATOM 955 CA LYS A 78 11.098 5.021 6.792 1.00 10.00 C ATOM 956 C LYS A 78 10.447 5.374 8.127 1.00 10.00 C ATOM 957 O LYS A 78 10.924 4.973 9.190 1.00 10.00 O ATOM 958 CB LYS A 78 12.027 6.155 6.335 1.00 10.00 C ATOM 959 CG LYS A 78 12.989 6.654 7.409 1.00 10.00 C ATOM 960 CD LYS A 78 14.026 5.604 7.776 1.00 10.00 C ATOM 961 CE LYS A 78 14.988 5.332 6.630 1.00 10.00 C ATOM 962 NZ LYS A 78 16.220 4.649 7.099 1.00 10.00 N ATOM 0 H LYS A 78 10.019 5.502 5.067 1.00 10.00 H new ATOM 0 HA LYS A 78 11.686 4.113 6.929 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.606 5.811 5.478 1.00 10.00 H new ATOM 0 HB3 LYS A 78 11.418 6.992 5.993 1.00 10.00 H new ATOM 0 HG2 LYS A 78 13.493 7.553 7.055 1.00 10.00 H new ATOM 0 HG3 LYS A 78 12.425 6.934 8.299 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.587 5.937 8.649 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.522 4.678 8.055 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.494 4.716 5.878 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.254 6.272 6.147 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.852 4.480 6.291 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.704 5.248 7.798 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 15.968 3.740 7.537 1.00 10.00 H new ATOM 976 N GLU A 79 9.355 6.121 8.068 1.00 10.00 N ATOM 977 CA GLU A 79 8.648 6.522 9.271 1.00 10.00 C ATOM 978 C GLU A 79 7.575 5.492 9.603 1.00 10.00 C ATOM 979 O GLU A 79 7.363 4.550 8.836 1.00 10.00 O ATOM 980 CB GLU A 79 8.037 7.918 9.101 1.00 10.00 C ATOM 981 CG GLU A 79 6.951 7.993 8.042 1.00 10.00 C ATOM 982 CD GLU A 79 6.640 9.412 7.620 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.107 10.186 8.448 1.00 10.00 O ATOM 984 OE2 GLU A 79 6.925 9.759 6.454 1.00 10.00 O ATOM 0 H GLU A 79 8.941 6.461 7.200 1.00 10.00 H new ATOM 0 HA GLU A 79 9.355 6.570 10.099 1.00 10.00 H new ATOM 0 HB2 GLU A 79 7.622 8.240 10.056 1.00 10.00 H new ATOM 0 HB3 GLU A 79 8.829 8.621 8.844 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.261 7.419 7.169 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.044 7.526 8.425 1.00 10.00 H new ATOM 991 N LEU A 80 6.919 5.670 10.754 1.00 10.00 N ATOM 992 CA LEU A 80 5.867 4.759 11.229 1.00 10.00 C ATOM 993 C LEU A 80 6.467 3.440 11.718 1.00 10.00 C ATOM 994 O LEU A 80 6.128 2.951 12.801 1.00 10.00 O ATOM 995 CB LEU A 80 4.817 4.499 10.137 1.00 10.00 C ATOM 996 CG LEU A 80 4.059 5.739 9.658 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.741 5.628 8.174 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.784 5.934 10.467 1.00 10.00 C ATOM 0 H LEU A 80 7.101 6.450 11.385 1.00 10.00 H new ATOM 0 HA LEU A 80 5.368 5.243 12.068 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.312 4.041 9.280 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.095 3.774 10.514 1.00 10.00 H new ATOM 0 HG LEU A 80 4.695 6.611 9.809 1.00 10.00 H new ATOM 0 HD11 LEU A 80 3.202 6.518 7.850 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.669 5.540 7.609 1.00 10.00 H new ATOM 0 HD13 LEU A 80 3.124 4.746 7.999 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.259 6.821 10.111 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.142 5.061 10.350 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.037 6.060 11.520 1.00 10.00 H new ATOM 1010 N GLY A 81 7.353 2.869 10.912 1.00 10.00 N ATOM 1011 CA GLY A 81 8.006 1.630 11.269 1.00 10.00 C ATOM 1012 C GLY A 81 7.595 0.480 10.375 1.00 10.00 C ATOM 1013 O GLY A 81 7.120 -0.546 10.860 1.00 10.00 O ATOM 0 H GLY A 81 7.632 3.249 10.008 1.00 10.00 H new ATOM 0 HA2 GLY A 81 9.086 1.763 11.211 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.770 1.384 12.304 1.00 10.00 H new ATOM 1017 N MET A 82 7.771 0.652 9.069 1.00 10.00 N ATOM 1018 CA MET A 82 7.419 -0.387 8.110 1.00 10.00 C ATOM 1019 C MET A 82 8.567 -1.370 7.960 1.00 10.00 C ATOM 1020 O MET A 82 9.714 -0.972 7.737 1.00 10.00 O ATOM 1021 CB MET A 82 7.063 0.219 6.749 1.00 10.00 C ATOM 1022 CG MET A 82 5.657 0.782 6.692 1.00 10.00 C ATOM 1023 SD MET A 82 5.224 1.414 5.060 1.00 10.00 S ATOM 1024 CE MET A 82 3.502 1.827 5.312 1.00 10.00 C ATOM 0 H MET A 82 8.155 1.500 8.652 1.00 10.00 H new ATOM 0 HA MET A 82 6.543 -0.915 8.487 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.774 1.011 6.515 1.00 10.00 H new ATOM 0 HB3 MET A 82 7.172 -0.545 5.979 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.947 0.005 6.976 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.561 1.584 7.424 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.086 2.233 4.390 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.950 0.930 5.595 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.418 2.570 6.105 1.00 10.00 H new ATOM 1034 N GLU A 83 8.260 -2.648 8.098 1.00 10.00 N ATOM 1035 CA GLU A 83 9.269 -3.687 7.985 1.00 10.00 C ATOM 1036 C GLU A 83 8.853 -4.755 6.983 1.00 10.00 C ATOM 1037 O GLU A 83 7.818 -4.640 6.328 1.00 10.00 O ATOM 1038 CB GLU A 83 9.518 -4.322 9.353 1.00 10.00 C ATOM 1039 CG GLU A 83 10.853 -3.938 9.961 1.00 10.00 C ATOM 1040 CD GLU A 83 12.023 -4.566 9.232 1.00 10.00 C ATOM 1041 OE1 GLU A 83 13.157 -4.063 9.376 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.815 -5.564 8.509 1.00 10.00 O ATOM 0 H GLU A 83 7.319 -2.992 8.289 1.00 10.00 H new ATOM 0 HA GLU A 83 10.190 -3.228 7.625 1.00 10.00 H new ATOM 0 HB2 GLU A 83 8.719 -4.027 10.033 1.00 10.00 H new ATOM 0 HB3 GLU A 83 9.470 -5.407 9.256 1.00 10.00 H new ATOM 0 HG2 GLU A 83 10.958 -2.853 9.944 1.00 10.00 H new ATOM 0 HG3 GLU A 83 10.874 -4.244 11.007 1.00 10.00 H new ATOM 1049 N GLU A 84 9.670 -5.789 6.861 1.00 10.00 N ATOM 1050 CA GLU A 84 9.387 -6.889 5.955 1.00 10.00 C ATOM 1051 C GLU A 84 8.301 -7.782 6.549 1.00 10.00 C ATOM 1052 O GLU A 84 8.222 -7.929 7.773 1.00 10.00 O ATOM 1053 CB GLU A 84 10.661 -7.694 5.689 1.00 10.00 C ATOM 1054 CG GLU A 84 10.491 -8.810 4.672 1.00 10.00 C ATOM 1055 CD GLU A 84 9.773 -8.353 3.422 1.00 10.00 C ATOM 1056 OE1 GLU A 84 10.338 -7.527 2.677 1.00 10.00 O ATOM 1057 OE2 GLU A 84 8.643 -8.820 3.181 1.00 10.00 O ATOM 0 H GLU A 84 10.541 -5.889 7.383 1.00 10.00 H new ATOM 0 HA GLU A 84 9.030 -6.489 5.006 1.00 10.00 H new ATOM 0 HB2 GLU A 84 11.440 -7.016 5.341 1.00 10.00 H new ATOM 0 HB3 GLU A 84 11.009 -8.124 6.628 1.00 10.00 H new ATOM 0 HG2 GLU A 84 11.471 -9.202 4.401 1.00 10.00 H new ATOM 0 HG3 GLU A 84 9.935 -9.630 5.127 1.00 10.00 H new ATOM 1064 N GLU A 85 7.468 -8.360 5.681 1.00 10.00 N ATOM 1065 CA GLU A 85 6.372 -9.231 6.102 1.00 10.00 C ATOM 1066 C GLU A 85 5.354 -8.450 6.921 1.00 10.00 C ATOM 1067 O GLU A 85 4.623 -9.022 7.734 1.00 10.00 O ATOM 1068 CB GLU A 85 6.895 -10.425 6.911 1.00 10.00 C ATOM 1069 CG GLU A 85 7.361 -11.586 6.052 1.00 10.00 C ATOM 1070 CD GLU A 85 6.217 -12.251 5.320 1.00 10.00 C ATOM 1071 OE1 GLU A 85 5.447 -12.994 5.961 1.00 10.00 O ATOM 1072 OE2 GLU A 85 6.083 -12.039 4.100 1.00 10.00 O ATOM 0 H GLU A 85 7.535 -8.237 4.671 1.00 10.00 H new ATOM 0 HA GLU A 85 5.885 -9.613 5.205 1.00 10.00 H new ATOM 0 HB2 GLU A 85 7.723 -10.093 7.538 1.00 10.00 H new ATOM 0 HB3 GLU A 85 6.108 -10.772 7.580 1.00 10.00 H new ATOM 0 HG2 GLU A 85 8.094 -11.229 5.329 1.00 10.00 H new ATOM 0 HG3 GLU A 85 7.864 -12.321 6.680 1.00 10.00 H new ATOM 1079 N ASP A 86 5.314 -7.142 6.707 1.00 10.00 N ATOM 1080 CA ASP A 86 4.392 -6.280 7.432 1.00 10.00 C ATOM 1081 C ASP A 86 2.981 -6.433 6.889 1.00 10.00 C ATOM 1082 O ASP A 86 2.776 -7.020 5.823 1.00 10.00 O ATOM 1083 CB ASP A 86 4.830 -4.820 7.340 1.00 10.00 C ATOM 1084 CG ASP A 86 4.696 -4.098 8.665 1.00 10.00 C ATOM 1085 OD1 ASP A 86 3.664 -4.284 9.346 1.00 10.00 O ATOM 1086 OD2 ASP A 86 5.627 -3.347 9.029 1.00 10.00 O ATOM 0 H ASP A 86 5.909 -6.655 6.037 1.00 10.00 H new ATOM 0 HA ASP A 86 4.401 -6.581 8.480 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.867 -4.774 7.006 1.00 10.00 H new ATOM 0 HB3 ASP A 86 4.230 -4.309 6.587 1.00 10.00 H new ATOM 1091 N VAL A 87 2.017 -5.896 7.614 1.00 10.00 N ATOM 1092 CA VAL A 87 0.622 -5.991 7.217 1.00 10.00 C ATOM 1093 C VAL A 87 -0.018 -4.613 7.127 1.00 10.00 C ATOM 1094 O VAL A 87 0.073 -3.808 8.053 1.00 10.00 O ATOM 1095 CB VAL A 87 -0.186 -6.863 8.207 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -1.666 -6.874 7.843 1.00 10.00 C ATOM 1097 CG2 VAL A 87 0.361 -8.282 8.249 1.00 10.00 C ATOM 0 H VAL A 87 2.174 -5.388 8.484 1.00 10.00 H new ATOM 0 HA VAL A 87 0.602 -6.460 6.233 1.00 10.00 H new ATOM 0 HB VAL A 87 -0.082 -6.424 9.199 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -2.211 -7.494 8.555 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -2.056 -5.857 7.875 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -1.791 -7.279 6.839 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -0.223 -8.876 8.952 1.00 10.00 H new ATOM 0 HG22 VAL A 87 0.296 -8.727 7.256 1.00 10.00 H new ATOM 0 HG23 VAL A 87 1.403 -8.261 8.569 1.00 10.00 H new ATOM 1107 N ILE A 88 -0.654 -4.347 6.001 1.00 10.00 N ATOM 1108 CA ILE A 88 -1.334 -3.085 5.785 1.00 10.00 C ATOM 1109 C ILE A 88 -2.720 -3.361 5.201 1.00 10.00 C ATOM 1110 O ILE A 88 -2.864 -4.132 4.252 1.00 10.00 O ATOM 1111 CB ILE A 88 -0.511 -2.140 4.872 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.221 -0.795 4.706 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -0.242 -2.778 3.516 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.313 0.307 4.202 1.00 10.00 C ATOM 0 H ILE A 88 -0.713 -4.995 5.216 1.00 10.00 H new ATOM 0 HA ILE A 88 -1.443 -2.572 6.740 1.00 10.00 H new ATOM 0 HB ILE A 88 0.451 -1.964 5.354 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.053 -0.915 4.013 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.645 -0.496 5.664 1.00 10.00 H new ATOM 0 HG21 ILE A 88 0.337 -2.091 2.899 1.00 10.00 H new ATOM 0 HG22 ILE A 88 0.319 -3.702 3.654 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.189 -2.998 3.023 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -0.882 1.232 4.108 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.506 0.454 4.906 1.00 10.00 H new ATOM 0 HD13 ILE A 88 0.091 0.029 3.229 1.00 10.00 H new ATOM 1126 N GLU A 89 -3.740 -2.764 5.793 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.110 -2.978 5.348 1.00 10.00 C ATOM 1128 C GLU A 89 -5.560 -1.883 4.393 1.00 10.00 C ATOM 1129 O GLU A 89 -5.103 -0.744 4.477 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.045 -3.030 6.555 1.00 10.00 C ATOM 1131 CG GLU A 89 -5.655 -4.085 7.579 1.00 10.00 C ATOM 1132 CD GLU A 89 -6.528 -4.049 8.817 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -7.692 -4.496 8.742 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -6.051 -3.587 9.874 1.00 10.00 O ATOM 0 H GLU A 89 -3.647 -2.126 6.584 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.147 -3.928 4.814 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.057 -2.053 7.038 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.060 -3.227 6.210 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -5.721 -5.072 7.121 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -4.615 -3.937 7.869 1.00 10.00 H new ATOM 1141 N VAL A 90 -6.455 -2.234 3.482 1.00 10.00 N ATOM 1142 CA VAL A 90 -6.979 -1.282 2.516 1.00 10.00 C ATOM 1143 C VAL A 90 -8.506 -1.367 2.465 1.00 10.00 C ATOM 1144 O VAL A 90 -9.075 -2.446 2.300 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.373 -1.510 1.105 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.665 -2.913 0.587 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -6.881 -0.463 0.126 1.00 10.00 C ATOM 0 H VAL A 90 -6.835 -3.176 3.392 1.00 10.00 H new ATOM 0 HA VAL A 90 -6.691 -0.282 2.840 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.291 -1.409 1.193 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.225 -3.034 -0.403 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.236 -3.649 1.267 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -7.743 -3.061 0.525 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.444 -0.641 -0.857 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -7.967 -0.526 0.057 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.597 0.530 0.475 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.165 -0.230 2.643 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.625 -0.180 2.624 1.00 10.00 C ATOM 1159 C TYR A 91 -11.098 1.007 1.801 1.00 10.00 C ATOM 1160 O TYR A 91 -10.324 1.924 1.535 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.180 -0.076 4.046 1.00 10.00 C ATOM 1162 CG TYR A 91 -10.850 -1.268 4.916 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -11.624 -2.419 4.870 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -9.761 -1.244 5.777 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -11.322 -3.514 5.657 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -9.454 -2.332 6.569 1.00 10.00 C ATOM 1167 CZ TYR A 91 -10.236 -3.463 6.506 1.00 10.00 C ATOM 1168 OH TYR A 91 -9.925 -4.548 7.292 1.00 10.00 O ATOM 0 H TYR A 91 -8.714 0.671 2.802 1.00 10.00 H new ATOM 0 HA TYR A 91 -10.993 -1.101 2.171 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -10.786 0.825 4.515 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.263 0.038 3.996 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.476 -2.460 4.208 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.144 -0.359 5.828 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -11.932 -4.404 5.608 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -8.604 -2.296 7.235 1.00 10.00 H new ATOM 0 HH TYR A 91 -9.022 -4.440 7.657 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.360 0.993 1.402 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.914 2.081 0.607 1.00 10.00 C ATOM 1180 C GLN A 92 -13.307 3.260 1.491 1.00 10.00 C ATOM 1181 O GLN A 92 -13.828 3.081 2.593 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.132 1.600 -0.188 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.605 2.592 -1.243 1.00 10.00 C ATOM 1184 CD GLN A 92 -16.010 2.309 -1.741 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.208 1.590 -2.725 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.996 2.876 -1.065 1.00 10.00 N ATOM 0 H GLN A 92 -13.019 0.244 1.614 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.142 2.411 -0.089 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.888 0.655 -0.674 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -14.951 1.401 0.504 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.570 3.599 -0.828 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.916 2.571 -2.087 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.789 3.463 -0.257 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.963 2.726 -1.352 1.00 10.00 H new ATOM 1195 N GLU A 93 -13.043 4.465 1.005 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.378 5.675 1.732 1.00 10.00 C ATOM 1197 C GLU A 93 -14.867 5.964 1.615 1.00 10.00 C ATOM 1198 O GLU A 93 -15.515 5.550 0.652 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.570 6.858 1.198 1.00 10.00 C ATOM 1200 CG GLU A 93 -11.119 6.857 1.647 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.865 7.819 2.789 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.321 7.550 3.922 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.195 8.845 2.562 1.00 10.00 O ATOM 0 H GLU A 93 -12.594 4.628 0.103 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.129 5.528 2.783 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.604 6.848 0.109 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -13.041 7.785 1.523 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.838 5.850 1.955 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.481 7.122 0.804 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.394 6.690 2.591 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.811 7.036 2.632 1.00 10.00 C ATOM 1212 C GLN A 94 -17.232 7.850 1.410 1.00 10.00 C ATOM 1213 O GLN A 94 -18.363 7.734 0.936 1.00 10.00 O ATOM 1214 CB GLN A 94 -17.112 7.816 3.913 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.576 8.181 4.082 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.850 8.838 5.417 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -18.761 10.058 5.555 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.167 8.033 6.417 1.00 10.00 N ATOM 0 H GLN A 94 -14.854 7.056 3.376 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.385 6.109 2.621 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.794 7.223 4.771 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.517 8.729 3.919 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.876 8.854 3.279 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -19.186 7.282 3.989 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -19.231 7.027 6.261 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.348 8.418 7.344 1.00 10.00 H new ATOM 1227 N THR A 95 -16.324 8.667 0.897 1.00 10.00 N ATOM 1228 CA THR A 95 -16.615 9.497 -0.261 1.00 10.00 C ATOM 1229 C THR A 95 -16.688 8.668 -1.545 1.00 10.00 C ATOM 1230 O THR A 95 -17.357 9.049 -2.504 1.00 10.00 O ATOM 1231 CB THR A 95 -15.548 10.592 -0.409 1.00 10.00 C ATOM 1232 OG1 THR A 95 -14.625 10.505 0.689 1.00 10.00 O ATOM 1233 CG2 THR A 95 -16.185 11.973 -0.435 1.00 10.00 C ATOM 0 H THR A 95 -15.379 8.773 1.265 1.00 10.00 H new ATOM 0 HA THR A 95 -17.590 9.957 -0.101 1.00 10.00 H new ATOM 0 HB THR A 95 -15.021 10.442 -1.351 1.00 10.00 H new ATOM 0 HG1 THR A 95 -13.941 11.201 0.598 1.00 10.00 H new ATOM 0 HG21 THR A 95 -15.408 12.730 -0.540 1.00 10.00 H new ATOM 0 HG22 THR A 95 -16.874 12.040 -1.277 1.00 10.00 H new ATOM 0 HG23 THR A 95 -16.730 12.140 0.494 1.00 10.00 H new ATOM 1241 N GLY A 96 -16.008 7.530 -1.553 1.00 10.00 N ATOM 1242 CA GLY A 96 -16.014 6.672 -2.722 1.00 10.00 C ATOM 1243 C GLY A 96 -14.866 6.967 -3.667 1.00 10.00 C ATOM 1244 O GLY A 96 -14.424 6.088 -4.408 1.00 10.00 O ATOM 0 H GLY A 96 -15.452 7.185 -0.771 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.960 5.631 -2.404 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.958 6.794 -3.253 1.00 10.00 H new ATOM 1248 N GLY A 97 -14.378 8.198 -3.643 1.00 10.00 N ATOM 1249 CA GLY A 97 -13.279 8.574 -4.510 1.00 10.00 C ATOM 1250 C GLY A 97 -13.602 9.799 -5.334 1.00 10.00 C ATOM 1251 O GLY A 97 -14.094 9.644 -6.470 1.00 10.00 O ATOM 0 H GLY A 97 -14.723 8.944 -3.039 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -12.391 8.766 -3.908 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -13.040 7.743 -5.174 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -3.705 -19.861 -3.543 1.00 10.00 N ATOM 1257 CA ASN B 357 -2.945 -18.701 -3.030 1.00 10.00 C ATOM 1258 C ASN B 357 -3.586 -17.402 -3.496 1.00 10.00 C ATOM 1259 O ASN B 357 -3.786 -17.187 -4.690 1.00 10.00 O ATOM 1260 CB ASN B 357 -1.473 -18.756 -3.479 1.00 10.00 C ATOM 1261 CG ASN B 357 -1.300 -18.828 -4.991 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -2.080 -19.476 -5.685 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -0.273 -18.165 -5.512 1.00 10.00 N ATOM 0 HA ASN B 357 -2.969 -18.740 -1.941 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -0.954 -17.874 -3.104 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -0.995 -19.624 -3.025 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -0.112 -18.184 -6.519 1.00 10.00 H new ATOM 0 HD22 ASN B 357 0.354 -17.637 -4.905 1.00 10.00 H new ATOM 1272 N ASN B 358 -3.913 -16.540 -2.544 1.00 10.00 N ATOM 1273 CA ASN B 358 -4.534 -15.253 -2.848 1.00 10.00 C ATOM 1274 C ASN B 358 -3.522 -14.126 -2.745 1.00 10.00 C ATOM 1275 O ASN B 358 -3.884 -12.951 -2.645 1.00 10.00 O ATOM 1276 CB ASN B 358 -5.726 -14.994 -1.920 1.00 10.00 C ATOM 1277 CG ASN B 358 -5.429 -15.258 -0.451 1.00 10.00 C ATOM 1278 OD1 ASN B 358 -4.288 -15.158 0.000 1.00 10.00 O ATOM 1279 ND2 ASN B 358 -6.462 -15.599 0.302 1.00 10.00 N ATOM 0 H ASN B 358 -3.759 -16.707 -1.550 1.00 10.00 H new ATOM 0 HA ASN B 358 -4.900 -15.288 -3.874 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -6.047 -13.959 -2.036 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -6.560 -15.623 -2.231 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -6.328 -15.790 1.295 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -7.392 -15.671 -0.110 1.00 10.00 H new ATOM 1286 N ARG B 359 -2.252 -14.498 -2.781 1.00 10.00 N ATOM 1287 CA ARG B 359 -1.174 -13.533 -2.696 1.00 10.00 C ATOM 1288 C ARG B 359 -0.684 -13.143 -4.085 1.00 10.00 C ATOM 1289 O ARG B 359 -0.270 -13.993 -4.875 1.00 10.00 O ATOM 1290 CB ARG B 359 -0.024 -14.079 -1.849 1.00 10.00 C ATOM 1291 CG ARG B 359 0.342 -15.519 -2.156 1.00 10.00 C ATOM 1292 CD ARG B 359 1.447 -16.014 -1.239 1.00 10.00 C ATOM 1293 NE ARG B 359 1.053 -15.949 0.170 1.00 10.00 N ATOM 1294 CZ ARG B 359 1.125 -16.971 1.022 1.00 10.00 C ATOM 1295 NH1 ARG B 359 1.661 -18.126 0.646 1.00 10.00 N ATOM 1296 NH2 ARG B 359 0.688 -16.825 2.264 1.00 10.00 N ATOM 0 H ARG B 359 -1.945 -15.467 -2.869 1.00 10.00 H new ATOM 0 HA ARG B 359 -1.559 -12.637 -2.210 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.854 -13.452 -2.001 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.294 -14.000 -0.796 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -0.538 -16.152 -2.044 1.00 10.00 H new ATOM 0 HG3 ARG B 359 0.664 -15.602 -3.194 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.702 -17.042 -1.498 1.00 10.00 H new ATOM 0 HD3 ARG B 359 2.344 -15.414 -1.394 1.00 10.00 H new ATOM 0 HE ARG B 359 0.699 -15.060 0.524 1.00 10.00 H new ATOM 0 HH11 ARG B 359 2.022 -18.236 -0.302 1.00 10.00 H new ATOM 0 HH12 ARG B 359 1.712 -18.903 1.305 1.00 10.00 H new ATOM 0 HH21 ARG B 359 0.298 -15.932 2.566 1.00 10.00 H new ATOM 0 HH22 ARG B 359 0.742 -17.605 2.919 1.00 10.00 H new ATOM 1310 N ASP B 360 -0.757 -11.855 -4.376 1.00 10.00 N ATOM 1311 CA ASP B 360 -0.329 -11.327 -5.667 1.00 10.00 C ATOM 1312 C ASP B 360 0.779 -10.305 -5.469 1.00 10.00 C ATOM 1313 O ASP B 360 0.554 -9.255 -4.868 1.00 10.00 O ATOM 1314 CB ASP B 360 -1.507 -10.681 -6.400 1.00 10.00 C ATOM 1315 CG ASP B 360 -1.088 -9.984 -7.685 1.00 10.00 C ATOM 1316 OD1 ASP B 360 -1.265 -8.750 -7.783 1.00 10.00 O ATOM 1317 OD2 ASP B 360 -0.595 -10.667 -8.607 1.00 10.00 O ATOM 0 H ASP B 360 -1.111 -11.148 -3.732 1.00 10.00 H new ATOM 0 HA ASP B 360 0.048 -12.152 -6.271 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -2.249 -11.445 -6.631 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -1.988 -9.959 -5.740 1.00 10.00 H new ATOM 1322 N PRO B 361 1.991 -10.608 -5.949 1.00 10.00 N ATOM 1323 CA PRO B 361 3.138 -9.714 -5.816 1.00 10.00 C ATOM 1324 C PRO B 361 3.133 -8.584 -6.844 1.00 10.00 C ATOM 1325 O PRO B 361 3.119 -8.821 -8.056 1.00 10.00 O ATOM 1326 CB PRO B 361 4.330 -10.645 -6.035 1.00 10.00 C ATOM 1327 CG PRO B 361 3.820 -11.728 -6.925 1.00 10.00 C ATOM 1328 CD PRO B 361 2.339 -11.854 -6.659 1.00 10.00 C ATOM 0 HA PRO B 361 3.147 -9.203 -4.853 1.00 10.00 H new ATOM 0 HB2 PRO B 361 5.164 -10.116 -6.496 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.693 -11.050 -5.090 1.00 10.00 H new ATOM 0 HG2 PRO B 361 4.005 -11.487 -7.972 1.00 10.00 H new ATOM 0 HG3 PRO B 361 4.331 -12.669 -6.720 1.00 10.00 H new ATOM 0 HD2 PRO B 361 1.775 -11.955 -7.586 1.00 10.00 H new ATOM 0 HD3 PRO B 361 2.117 -12.733 -6.054 1.00 10.00 H new ATOM 1336 N ILE B 362 3.141 -7.355 -6.350 1.00 10.00 N ATOM 1337 CA ILE B 362 3.144 -6.184 -7.207 1.00 10.00 C ATOM 1338 C ILE B 362 4.429 -5.394 -7.033 1.00 10.00 C ATOM 1339 O ILE B 362 4.759 -4.962 -5.930 1.00 10.00 O ATOM 1340 CB ILE B 362 1.945 -5.254 -6.922 1.00 10.00 C ATOM 1341 CG1 ILE B 362 0.646 -6.060 -6.826 1.00 10.00 C ATOM 1342 CG2 ILE B 362 1.835 -4.183 -8.004 1.00 10.00 C ATOM 1343 CD1 ILE B 362 -0.525 -5.250 -6.312 1.00 10.00 C ATOM 0 H ILE B 362 3.146 -7.144 -5.352 1.00 10.00 H new ATOM 0 HA ILE B 362 3.066 -6.548 -8.232 1.00 10.00 H new ATOM 0 HB ILE B 362 2.111 -4.762 -5.964 1.00 10.00 H new ATOM 0 HG12 ILE B 362 0.400 -6.457 -7.811 1.00 10.00 H new ATOM 0 HG13 ILE B 362 0.805 -6.914 -6.168 1.00 10.00 H new ATOM 0 HG21 ILE B 362 0.985 -3.535 -7.789 1.00 10.00 H new ATOM 0 HG22 ILE B 362 2.749 -3.589 -8.022 1.00 10.00 H new ATOM 0 HG23 ILE B 362 1.692 -4.659 -8.974 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -1.413 -5.881 -6.269 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -0.298 -4.874 -5.314 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -0.709 -4.410 -6.982 1.00 10.00 H new ATOM 1355 N VAL B 363 5.158 -5.222 -8.123 1.00 10.00 N ATOM 1356 CA VAL B 363 6.407 -4.478 -8.104 1.00 10.00 C ATOM 1357 C VAL B 363 6.290 -3.259 -9.012 1.00 10.00 C ATOM 1358 O VAL B 363 5.899 -3.386 -10.173 1.00 10.00 O ATOM 1359 CB VAL B 363 7.598 -5.345 -8.569 1.00 10.00 C ATOM 1360 CG1 VAL B 363 8.921 -4.645 -8.288 1.00 10.00 C ATOM 1361 CG2 VAL B 363 7.569 -6.719 -7.909 1.00 10.00 C ATOM 0 H VAL B 363 4.904 -5.591 -9.039 1.00 10.00 H new ATOM 0 HA VAL B 363 6.593 -4.169 -7.075 1.00 10.00 H new ATOM 0 HB VAL B 363 7.506 -5.485 -9.646 1.00 10.00 H new ATOM 0 HG11 VAL B 363 9.745 -5.275 -8.624 1.00 10.00 H new ATOM 0 HG12 VAL B 363 8.950 -3.695 -8.821 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.016 -4.464 -7.217 1.00 10.00 H new ATOM 0 HG21 VAL B 363 8.419 -7.307 -8.255 1.00 10.00 H new ATOM 0 HG22 VAL B 363 7.624 -6.604 -6.827 1.00 10.00 H new ATOM 0 HG23 VAL B 363 6.643 -7.230 -8.173 1.00 10.00 H new ATOM 1371 N ILE B 364 6.606 -2.086 -8.484 1.00 10.00 N ATOM 1372 CA ILE B 364 6.525 -0.858 -9.268 1.00 10.00 C ATOM 1373 C ILE B 364 7.911 -0.381 -9.671 1.00 10.00 C ATOM 1374 O ILE B 364 8.917 -0.825 -9.116 1.00 10.00 O ATOM 1375 CB ILE B 364 5.815 0.279 -8.503 1.00 10.00 C ATOM 1376 CG1 ILE B 364 6.557 0.601 -7.204 1.00 10.00 C ATOM 1377 CG2 ILE B 364 4.372 -0.101 -8.220 1.00 10.00 C ATOM 1378 CD1 ILE B 364 6.791 2.081 -6.996 1.00 10.00 C ATOM 0 H ILE B 364 6.919 -1.956 -7.522 1.00 10.00 H new ATOM 0 HA ILE B 364 5.939 -1.099 -10.155 1.00 10.00 H new ATOM 0 HB ILE B 364 5.821 1.174 -9.125 1.00 10.00 H new ATOM 0 HG12 ILE B 364 5.987 0.209 -6.362 1.00 10.00 H new ATOM 0 HG13 ILE B 364 7.517 0.086 -7.206 1.00 10.00 H new ATOM 0 HG21 ILE B 364 3.882 0.709 -7.680 1.00 10.00 H new ATOM 0 HG22 ILE B 364 3.851 -0.277 -9.161 1.00 10.00 H new ATOM 0 HG23 ILE B 364 4.346 -1.008 -7.616 1.00 10.00 H new ATOM 0 HD11 ILE B 364 7.321 2.237 -6.057 1.00 10.00 H new ATOM 0 HD12 ILE B 364 7.388 2.474 -7.819 1.00 10.00 H new ATOM 0 HD13 ILE B 364 5.833 2.600 -6.962 1.00 10.00 H new ATOM 1390 N SER B 365 7.955 0.516 -10.642 1.00 10.00 N ATOM 1391 CA SER B 365 9.214 1.062 -11.117 1.00 10.00 C ATOM 1392 C SER B 365 9.548 2.359 -10.378 1.00 10.00 C ATOM 1393 O SER B 365 8.768 3.312 -10.396 1.00 10.00 O ATOM 1394 CB SER B 365 9.134 1.302 -12.624 1.00 10.00 C ATOM 1395 OG SER B 365 8.444 0.241 -13.266 1.00 10.00 O ATOM 0 H SER B 365 7.130 0.882 -11.118 1.00 10.00 H new ATOM 0 HA SER B 365 10.011 0.346 -10.917 1.00 10.00 H new ATOM 0 HB2 SER B 365 8.624 2.245 -12.820 1.00 10.00 H new ATOM 0 HB3 SER B 365 10.139 1.391 -13.037 1.00 10.00 H new ATOM 0 HG SER B 365 8.402 0.414 -14.230 1.00 10.00 H new ATOM 1401 N ASP B 366 10.696 2.377 -9.715 1.00 10.00 N ATOM 1402 CA ASP B 366 11.130 3.554 -8.965 1.00 10.00 C ATOM 1403 C ASP B 366 11.836 4.547 -9.881 1.00 10.00 C ATOM 1404 O ASP B 366 12.721 4.175 -10.653 1.00 10.00 O ATOM 1405 CB ASP B 366 12.054 3.140 -7.815 1.00 10.00 C ATOM 1406 CG ASP B 366 12.815 4.307 -7.211 1.00 10.00 C ATOM 1407 OD1 ASP B 366 14.051 4.371 -7.394 1.00 10.00 O ATOM 1408 OD2 ASP B 366 12.193 5.144 -6.531 1.00 10.00 O ATOM 0 H ASP B 366 11.346 1.591 -9.679 1.00 10.00 H new ATOM 0 HA ASP B 366 10.248 4.040 -8.548 1.00 10.00 H new ATOM 0 HB2 ASP B 366 11.462 2.659 -7.037 1.00 10.00 H new ATOM 0 HB3 ASP B 366 12.766 2.399 -8.178 1.00 10.00 H new ATOM 1413 N SER B 367 11.439 5.806 -9.805 1.00 10.00 N ATOM 1414 CA SER B 367 12.031 6.844 -10.631 1.00 10.00 C ATOM 1415 C SER B 367 12.275 8.105 -9.806 1.00 10.00 C ATOM 1416 O SER B 367 11.369 8.594 -9.131 1.00 10.00 O ATOM 1417 CB SER B 367 11.116 7.151 -11.824 1.00 10.00 C ATOM 1418 OG SER B 367 10.714 5.954 -12.475 1.00 10.00 O ATOM 0 H SER B 367 10.706 6.135 -9.177 1.00 10.00 H new ATOM 0 HA SER B 367 12.990 6.490 -11.008 1.00 10.00 H new ATOM 0 HB2 SER B 367 10.237 7.697 -11.482 1.00 10.00 H new ATOM 0 HB3 SER B 367 11.637 7.797 -12.531 1.00 10.00 H new ATOM 0 HG SER B 367 10.130 6.173 -13.231 1.00 10.00 H new ATOM 1424 N PRO B 368 13.509 8.633 -9.834 1.00 10.00 N ATOM 1425 CA PRO B 368 13.867 9.845 -9.088 1.00 10.00 C ATOM 1426 C PRO B 368 13.258 11.101 -9.704 1.00 10.00 C ATOM 1427 O PRO B 368 12.854 11.050 -10.888 1.00 10.00 O ATOM 1428 CB PRO B 368 15.393 9.879 -9.183 1.00 10.00 C ATOM 1429 CG PRO B 368 15.716 9.143 -10.434 1.00 10.00 C ATOM 1430 CD PRO B 368 14.654 8.091 -10.592 1.00 10.00 C ATOM 1431 OXT PRO B 368 13.173 12.133 -9.001 1.00 10.00 O ATOM 0 HA PRO B 368 13.494 9.824 -8.064 1.00 10.00 H new ATOM 0 HB2 PRO B 368 15.764 10.903 -9.221 1.00 10.00 H new ATOM 0 HB3 PRO B 368 15.853 9.405 -8.316 1.00 10.00 H new ATOM 0 HG2 PRO B 368 15.725 9.817 -11.290 1.00 10.00 H new ATOM 0 HG3 PRO B 368 16.706 8.690 -10.374 1.00 10.00 H new ATOM 0 HD2 PRO B 368 14.401 7.932 -11.640 1.00 10.00 H new ATOM 0 HD3 PRO B 368 14.980 7.130 -10.193 1.00 10.00 H new TER 1439 PRO B 368