USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 40 LYS NZ :NH3+ -102:sc= 0.0955 (180deg=-0.0507) USER MOD Set 1.2: A 43 HIS : no HD1:sc= -0.11 K(o=-0.015,f=-0.57) USER MOD Set 2.1: A 14 TYR OH : rot 30:sc= 0.292 USER MOD Set 2.2: A 30 LYS NZ :NH3+ 149:sc= -0.247 (180deg=-0.022) USER MOD Single : A 1 VAL N :NH3+ 179:sc= -0.218 (180deg=-0.233) USER MOD Single : A 5 TYR OH : rot -53:sc= 0.938 USER MOD Single : A 8 GLN : amide:sc= 1.1 K(o=1.1,f=-0.0001) USER MOD Single : A 11 ASN : amide:sc= 2.16 K(o=2.2,f=-5.9!) USER MOD Single : A 12 CYS SG : rot 37:sc= 0.504 USER MOD Single : A 15 HIS : no HD1:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 20 SER OG : rot -69:sc= 1.38 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0588 USER MOD Single : A 25 THR OG1 : rot 66:sc= 1.43 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0.23 (180deg=0.189) USER MOD Single : A 33 THR OG1 : rot 69:sc= 0.0327 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -0.421 K(o=-0.42,f=-2.4!) USER MOD Single : A 50 ASN : amide:sc= 1.05 K(o=1.1,f=-4.5!) USER MOD Single : A 55 ASN : amide:sc= -0.345 K(o=-0.34,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.356 11.950 5.982 1.00 0.00 N ATOM 2 CA VAL A 1 6.839 10.710 5.351 1.00 0.00 C ATOM 3 C VAL A 1 5.782 10.074 6.215 1.00 0.00 C ATOM 4 O VAL A 1 5.584 10.453 7.371 1.00 0.00 O ATOM 5 CB VAL A 1 7.963 9.705 5.061 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.889 10.254 3.953 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.753 9.333 6.335 1.00 0.00 C ATOM 0 H1 VAL A 1 8.095 12.364 5.379 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.579 12.632 6.095 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.756 11.724 6.915 1.00 0.00 H new ATOM 0 HA VAL A 1 6.393 10.994 4.398 1.00 0.00 H new ATOM 0 HB VAL A 1 7.508 8.781 4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.684 9.535 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.311 10.418 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.327 11.197 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.537 8.620 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.202 10.231 6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.078 8.885 7.064 1.00 0.00 H new ATOM 19 N ARG A 2 5.083 9.065 5.653 1.00 0.00 N ATOM 20 CA ARG A 2 4.181 8.212 6.379 1.00 0.00 C ATOM 21 C ARG A 2 4.747 6.827 6.270 1.00 0.00 C ATOM 22 O ARG A 2 5.705 6.579 5.529 1.00 0.00 O ATOM 23 CB ARG A 2 2.732 8.212 5.817 1.00 0.00 C ATOM 24 CG ARG A 2 2.611 7.805 4.331 1.00 0.00 C ATOM 25 CD ARG A 2 2.120 8.915 3.380 1.00 0.00 C ATOM 26 NE ARG A 2 0.614 8.999 3.366 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.109 9.889 4.109 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.495 10.771 4.957 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.470 9.896 3.990 1.00 0.00 N ATOM 0 H ARG A 2 5.147 8.834 4.661 1.00 0.00 H new ATOM 0 HA ARG A 2 4.102 8.573 7.405 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.126 7.532 6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.310 9.209 5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.585 7.459 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.928 6.959 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.537 9.873 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.485 8.720 2.371 1.00 0.00 H new ATOM 0 HE ARG A 2 0.104 8.352 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.511 10.777 5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.069 11.425 5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.930 9.244 3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.026 10.553 4.537 1.00 0.00 H new ATOM 43 N ASP A 3 4.132 5.880 7.006 1.00 0.00 N ATOM 44 CA ASP A 3 4.389 4.477 6.892 1.00 0.00 C ATOM 45 C ASP A 3 2.959 4.066 6.963 1.00 0.00 C ATOM 46 O ASP A 3 2.208 4.690 7.720 1.00 0.00 O ATOM 47 CB ASP A 3 5.157 3.845 8.084 1.00 0.00 C ATOM 48 CG ASP A 3 6.447 4.622 8.362 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.332 4.655 7.468 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.565 5.194 9.479 1.00 0.00 O ATOM 0 H ASP A 3 3.427 6.103 7.709 1.00 0.00 H new ATOM 0 HA ASP A 3 5.004 4.193 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.526 3.846 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.393 2.804 7.862 1.00 0.00 H new ATOM 55 N GLY A 4 2.515 3.104 6.137 1.00 0.00 N ATOM 56 CA GLY A 4 1.167 2.641 6.253 1.00 0.00 C ATOM 57 C GLY A 4 1.196 1.352 5.544 1.00 0.00 C ATOM 58 O GLY A 4 2.238 0.987 4.995 1.00 0.00 O ATOM 0 H GLY A 4 3.070 2.656 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.870 2.522 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.461 3.336 5.798 1.00 0.00 H new ATOM 62 N TYR A 5 0.021 0.694 5.447 1.00 0.00 N ATOM 63 CA TYR A 5 -0.226 -0.314 4.456 1.00 0.00 C ATOM 64 C TYR A 5 -0.478 0.480 3.205 1.00 0.00 C ATOM 65 O TYR A 5 -1.185 1.483 3.259 1.00 0.00 O ATOM 66 CB TYR A 5 -1.494 -1.137 4.748 1.00 0.00 C ATOM 67 CG TYR A 5 -1.342 -1.987 5.962 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.748 -3.250 5.854 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.848 -1.564 7.205 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.689 -4.089 6.967 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.810 -2.417 8.314 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.262 -3.697 8.181 1.00 0.00 C ATOM 73 OH TYR A 5 -1.389 -4.648 9.212 1.00 0.00 O ATOM 0 H TYR A 5 -0.770 0.865 6.067 1.00 0.00 H new ATOM 0 HA TYR A 5 0.604 -1.019 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.340 -0.463 4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.721 -1.769 3.889 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.336 -3.575 4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.269 -0.574 7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.198 -5.048 6.891 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.201 -2.089 9.266 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.859 -5.438 8.872 1.00 0.00 H new ATOM 83 N ILE A 6 0.121 0.102 2.061 1.00 0.00 N ATOM 84 CA ILE A 6 0.008 0.872 0.853 1.00 0.00 C ATOM 85 C ILE A 6 -1.196 0.342 0.120 1.00 0.00 C ATOM 86 O ILE A 6 -1.439 -0.884 0.099 1.00 0.00 O ATOM 87 CB ILE A 6 1.284 0.972 0.010 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.146 1.962 -1.175 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.755 -0.420 -0.430 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.426 2.146 -1.998 1.00 0.00 C ATOM 0 H ILE A 6 0.687 -0.741 1.969 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.135 1.923 1.104 1.00 0.00 H new ATOM 0 HB ILE A 6 2.062 1.395 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.352 1.612 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.835 2.932 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.662 -0.325 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.962 -1.029 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.976 -0.896 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.241 2.854 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.220 2.528 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.729 1.187 -2.419 1.00 0.00 H new ATOM 102 N ALA A 7 -1.951 1.338 -0.422 1.00 0.00 N ATOM 103 CA ALA A 7 -3.148 1.239 -1.217 1.00 0.00 C ATOM 104 C ALA A 7 -2.817 1.308 -2.678 1.00 0.00 C ATOM 105 O ALA A 7 -1.698 1.032 -3.091 1.00 0.00 O ATOM 106 CB ALA A 7 -4.182 2.351 -0.936 1.00 0.00 C ATOM 0 H ALA A 7 -1.687 2.313 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.587 0.280 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.054 2.207 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.486 2.309 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.736 3.323 -1.146 1.00 0.00 H new ATOM 112 N GLN A 8 -3.828 1.703 -3.477 1.00 0.00 N ATOM 113 CA GLN A 8 -3.839 1.933 -4.884 1.00 0.00 C ATOM 114 C GLN A 8 -4.877 3.018 -4.887 1.00 0.00 C ATOM 115 O GLN A 8 -5.544 3.142 -3.854 1.00 0.00 O ATOM 116 CB GLN A 8 -4.430 0.756 -5.696 1.00 0.00 C ATOM 117 CG GLN A 8 -3.476 -0.433 -5.766 1.00 0.00 C ATOM 118 CD GLN A 8 -4.173 -1.572 -6.504 1.00 0.00 C ATOM 119 OE1 GLN A 8 -3.875 -1.839 -7.673 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.137 -2.248 -5.816 1.00 0.00 N ATOM 0 H GLN A 8 -4.750 1.881 -3.078 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.853 2.118 -5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.369 0.440 -5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.661 1.094 -6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.559 -0.152 -6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.192 -0.750 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.349 -1.992 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.646 -3.009 -6.266 1.00 0.00 H new ATOM 129 N PRO A 9 -5.071 3.792 -5.951 1.00 0.00 N ATOM 130 CA PRO A 9 -6.121 4.795 -6.011 1.00 0.00 C ATOM 131 C PRO A 9 -7.479 4.121 -6.065 1.00 0.00 C ATOM 132 O PRO A 9 -7.571 3.001 -6.570 1.00 0.00 O ATOM 133 CB PRO A 9 -5.842 5.572 -7.311 1.00 0.00 C ATOM 134 CG PRO A 9 -4.943 4.654 -8.148 1.00 0.00 C ATOM 135 CD PRO A 9 -4.148 3.895 -7.085 1.00 0.00 C ATOM 0 HA PRO A 9 -6.130 5.450 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.768 5.802 -7.838 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.349 6.522 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.526 3.979 -8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.291 5.222 -8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.844 2.911 -7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.238 4.429 -6.811 1.00 0.00 H new ATOM 143 N GLU A 10 -8.565 4.731 -5.535 1.00 0.00 N ATOM 144 CA GLU A 10 -8.615 6.009 -4.863 1.00 0.00 C ATOM 145 C GLU A 10 -8.196 5.781 -3.446 1.00 0.00 C ATOM 146 O GLU A 10 -7.349 6.486 -2.905 1.00 0.00 O ATOM 147 CB GLU A 10 -10.039 6.611 -4.856 1.00 0.00 C ATOM 148 CG GLU A 10 -10.557 7.030 -6.243 1.00 0.00 C ATOM 149 CD GLU A 10 -9.708 8.177 -6.782 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.899 9.330 -6.304 1.00 0.00 O ATOM 151 OE2 GLU A 10 -8.853 7.915 -7.669 1.00 0.00 O ATOM 0 H GLU A 10 -9.486 4.294 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.962 6.707 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.727 5.881 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.050 7.481 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.518 6.183 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.600 7.338 -6.175 1.00 0.00 H new ATOM 158 N ASN A 11 -8.776 4.747 -2.827 1.00 0.00 N ATOM 159 CA ASN A 11 -8.459 4.249 -1.536 1.00 0.00 C ATOM 160 C ASN A 11 -8.858 2.869 -1.904 1.00 0.00 C ATOM 161 O ASN A 11 -9.839 2.737 -2.634 1.00 0.00 O ATOM 162 CB ASN A 11 -9.380 4.754 -0.399 1.00 0.00 C ATOM 163 CG ASN A 11 -9.151 3.924 0.868 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.012 3.799 1.335 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.234 3.314 1.422 1.00 0.00 N ATOM 0 H ASN A 11 -9.528 4.218 -3.268 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.466 4.480 -1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.178 5.806 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.423 4.683 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.122 2.730 2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.158 3.441 1.009 1.00 0.00 H new ATOM 172 N CYS A 12 -8.106 1.866 -1.447 1.00 0.00 N ATOM 173 CA CYS A 12 -8.242 0.475 -1.768 1.00 0.00 C ATOM 174 C CYS A 12 -7.116 -0.023 -0.935 1.00 0.00 C ATOM 175 O CYS A 12 -6.674 0.704 -0.047 1.00 0.00 O ATOM 176 CB CYS A 12 -8.029 0.087 -3.262 1.00 0.00 C ATOM 177 SG CYS A 12 -9.534 0.235 -4.258 1.00 0.00 S ATOM 0 H CYS A 12 -7.337 2.034 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.244 0.084 -1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.254 0.724 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.665 -0.939 -3.316 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.214 1.271 -3.865 1.00 0.00 H new ATOM 182 N VAL A 13 -6.614 -1.237 -1.212 1.00 0.00 N ATOM 183 CA VAL A 13 -5.388 -1.736 -0.690 1.00 0.00 C ATOM 184 C VAL A 13 -4.631 -1.968 -1.957 1.00 0.00 C ATOM 185 O VAL A 13 -5.239 -2.011 -3.034 1.00 0.00 O ATOM 186 CB VAL A 13 -5.505 -3.022 0.120 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.918 -2.669 1.559 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.493 -4.017 -0.526 1.00 0.00 C ATOM 0 H VAL A 13 -7.086 -1.899 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.934 -1.054 0.029 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.536 -3.521 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.005 -3.583 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.164 -2.020 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.878 -2.154 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.548 -4.921 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.481 -3.560 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.148 -4.273 -1.528 1.00 0.00 H new ATOM 198 N TYR A 14 -3.290 -2.125 -1.853 1.00 0.00 N ATOM 199 CA TYR A 14 -2.504 -2.781 -2.869 1.00 0.00 C ATOM 200 C TYR A 14 -2.645 -4.249 -2.626 1.00 0.00 C ATOM 201 O TYR A 14 -3.513 -4.680 -1.874 1.00 0.00 O ATOM 202 CB TYR A 14 -0.999 -2.354 -2.936 1.00 0.00 C ATOM 203 CG TYR A 14 -0.540 -1.917 -4.307 1.00 0.00 C ATOM 204 CD1 TYR A 14 -0.924 -2.609 -5.473 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.303 -0.801 -4.440 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.544 -2.150 -6.740 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.684 -0.335 -5.703 1.00 0.00 C ATOM 208 CZ TYR A 14 0.242 -0.996 -6.857 1.00 0.00 C ATOM 209 OH TYR A 14 0.564 -0.480 -8.130 1.00 0.00 O ATOM 0 H TYR A 14 -2.745 -1.794 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.885 -2.480 -3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.833 -1.538 -2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.381 -3.189 -2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.520 -3.506 -5.388 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.662 -0.296 -3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.856 -2.684 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.319 0.534 -5.789 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.155 -0.693 -8.761 1.00 0.00 H new ATOM 219 N HIS A 15 -1.793 -5.076 -3.238 1.00 0.00 N ATOM 220 CA HIS A 15 -1.705 -6.438 -2.863 1.00 0.00 C ATOM 221 C HIS A 15 -0.232 -6.531 -2.925 1.00 0.00 C ATOM 222 O HIS A 15 0.427 -5.602 -3.404 1.00 0.00 O ATOM 223 CB HIS A 15 -2.399 -7.438 -3.811 1.00 0.00 C ATOM 224 CG HIS A 15 -3.888 -7.423 -3.593 1.00 0.00 C ATOM 225 ND1 HIS A 15 -4.732 -6.500 -4.155 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.618 -8.143 -2.710 1.00 0.00 C ATOM 227 CE1 HIS A 15 -5.935 -6.653 -3.617 1.00 0.00 C ATOM 228 NE2 HIS A 15 -5.892 -7.645 -2.739 1.00 0.00 N ATOM 0 H HIS A 15 -1.165 -4.800 -3.993 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.199 -6.694 -1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.174 -7.183 -4.847 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.010 -8.442 -3.639 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.262 -8.958 -2.097 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.808 -6.064 -3.856 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.676 -7.980 -2.180 1.00 0.00 H new ATOM 237 N CYS A 16 0.281 -7.638 -2.397 1.00 0.00 N ATOM 238 CA CYS A 16 1.654 -7.946 -2.268 1.00 0.00 C ATOM 239 C CYS A 16 1.585 -9.306 -2.879 1.00 0.00 C ATOM 240 O CYS A 16 0.517 -9.742 -3.316 1.00 0.00 O ATOM 241 CB CYS A 16 2.078 -8.023 -0.780 1.00 0.00 C ATOM 242 SG CYS A 16 3.860 -8.228 -0.478 1.00 0.00 S ATOM 0 H CYS A 16 -0.316 -8.379 -2.030 1.00 0.00 H new ATOM 0 HA CYS A 16 2.361 -7.240 -2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.745 -7.114 -0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.551 -8.855 -0.314 1.00 0.00 H new ATOM 247 N PHE A 17 2.705 -10.027 -2.898 1.00 0.00 N ATOM 248 CA PHE A 17 2.775 -11.373 -3.345 1.00 0.00 C ATOM 249 C PHE A 17 3.452 -11.892 -2.121 1.00 0.00 C ATOM 250 O PHE A 17 4.397 -11.196 -1.754 1.00 0.00 O ATOM 251 CB PHE A 17 3.726 -11.524 -4.551 1.00 0.00 C ATOM 252 CG PHE A 17 3.176 -10.751 -5.725 1.00 0.00 C ATOM 253 CD1 PHE A 17 2.258 -11.350 -6.605 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.542 -9.407 -5.942 1.00 0.00 C ATOM 255 CE1 PHE A 17 1.747 -10.640 -7.699 1.00 0.00 C ATOM 256 CE2 PHE A 17 3.021 -8.692 -7.026 1.00 0.00 C ATOM 257 CZ PHE A 17 2.133 -9.312 -7.913 1.00 0.00 C ATOM 0 H PHE A 17 3.604 -9.658 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 17 1.841 -11.832 -3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.719 -11.156 -4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.834 -12.576 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.943 -12.369 -6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.231 -8.925 -5.265 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.055 -11.117 -8.377 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.304 -7.661 -7.179 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.746 -8.766 -8.761 1.00 0.00 H new ATOM 267 N PRO A 18 3.069 -12.974 -1.434 1.00 0.00 N ATOM 268 CA PRO A 18 3.670 -13.404 -0.164 1.00 0.00 C ATOM 269 C PRO A 18 5.112 -13.876 -0.225 1.00 0.00 C ATOM 270 O PRO A 18 5.470 -14.833 0.455 1.00 0.00 O ATOM 271 CB PRO A 18 2.777 -14.570 0.271 1.00 0.00 C ATOM 272 CG PRO A 18 1.386 -14.148 -0.196 1.00 0.00 C ATOM 273 CD PRO A 18 1.676 -13.436 -1.519 1.00 0.00 C ATOM 0 HA PRO A 18 3.716 -12.552 0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.088 -15.507 -0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.810 -14.720 1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.728 -15.006 -0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.901 -13.486 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.540 -14.111 -2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.995 -12.598 -1.668 1.00 0.00 H new ATOM 281 N GLY A 19 5.949 -13.192 -1.002 1.00 0.00 N ATOM 282 CA GLY A 19 7.355 -13.357 -1.156 1.00 0.00 C ATOM 283 C GLY A 19 7.510 -12.109 -1.941 1.00 0.00 C ATOM 284 O GLY A 19 7.219 -12.088 -3.134 1.00 0.00 O ATOM 0 H GLY A 19 5.602 -12.435 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.907 -13.361 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.639 -14.260 -1.697 1.00 0.00 H new ATOM 288 N SER A 20 7.817 -10.994 -1.248 1.00 0.00 N ATOM 289 CA SER A 20 7.386 -9.666 -1.621 1.00 0.00 C ATOM 290 C SER A 20 8.157 -9.003 -2.728 1.00 0.00 C ATOM 291 O SER A 20 8.245 -7.777 -2.774 1.00 0.00 O ATOM 292 CB SER A 20 7.492 -8.749 -0.383 1.00 0.00 C ATOM 293 OG SER A 20 7.063 -9.451 0.783 1.00 0.00 O ATOM 0 H SER A 20 8.383 -11.011 -0.400 1.00 0.00 H new ATOM 0 HA SER A 20 6.371 -9.800 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.521 -8.412 -0.257 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.881 -7.858 -0.527 1.00 0.00 H new ATOM 0 HG SER A 20 6.096 -9.604 0.735 1.00 0.00 H new ATOM 299 N SER A 21 8.699 -9.780 -3.684 1.00 0.00 N ATOM 300 CA SER A 21 9.619 -9.304 -4.685 1.00 0.00 C ATOM 301 C SER A 21 8.909 -8.414 -5.665 1.00 0.00 C ATOM 302 O SER A 21 9.453 -7.407 -6.107 1.00 0.00 O ATOM 303 CB SER A 21 10.297 -10.490 -5.412 1.00 0.00 C ATOM 304 OG SER A 21 9.386 -11.576 -5.570 1.00 0.00 O ATOM 0 H SER A 21 8.493 -10.775 -3.767 1.00 0.00 H new ATOM 0 HA SER A 21 10.397 -8.721 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.656 -10.166 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.168 -10.820 -4.845 1.00 0.00 H new ATOM 0 HG SER A 21 9.834 -12.314 -6.033 1.00 0.00 H new ATOM 310 N GLY A 22 7.639 -8.734 -5.987 1.00 0.00 N ATOM 311 CA GLY A 22 6.862 -7.929 -6.901 1.00 0.00 C ATOM 312 C GLY A 22 6.506 -6.611 -6.275 1.00 0.00 C ATOM 313 O GLY A 22 6.456 -5.581 -6.954 1.00 0.00 O ATOM 0 H GLY A 22 7.146 -9.547 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.428 -7.761 -7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.953 -8.462 -7.181 1.00 0.00 H new ATOM 317 N CYS A 23 6.289 -6.605 -4.934 1.00 0.00 N ATOM 318 CA CYS A 23 5.888 -5.398 -4.252 1.00 0.00 C ATOM 319 C CYS A 23 7.095 -4.541 -3.970 1.00 0.00 C ATOM 320 O CYS A 23 6.948 -3.363 -3.658 1.00 0.00 O ATOM 321 CB CYS A 23 5.063 -5.598 -2.956 1.00 0.00 C ATOM 322 SG CYS A 23 4.190 -4.053 -2.514 1.00 0.00 S ATOM 0 H CYS A 23 6.389 -7.422 -4.332 1.00 0.00 H new ATOM 0 HA CYS A 23 5.205 -4.902 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.342 -6.403 -3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.721 -5.898 -2.141 1.00 0.00 H new ATOM 327 N ASP A 24 8.329 -5.073 -4.138 1.00 0.00 N ATOM 328 CA ASP A 24 9.542 -4.284 -4.077 1.00 0.00 C ATOM 329 C ASP A 24 9.474 -3.227 -5.153 1.00 0.00 C ATOM 330 O ASP A 24 9.609 -2.038 -4.877 1.00 0.00 O ATOM 331 CB ASP A 24 10.811 -5.160 -4.262 1.00 0.00 C ATOM 332 CG ASP A 24 12.083 -4.414 -3.853 1.00 0.00 C ATOM 333 OD1 ASP A 24 12.217 -4.110 -2.637 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.934 -4.150 -4.743 1.00 0.00 O ATOM 0 H ASP A 24 8.491 -6.064 -4.319 1.00 0.00 H new ATOM 0 HA ASP A 24 9.616 -3.823 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.715 -6.068 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.890 -5.469 -5.304 1.00 0.00 H new ATOM 339 N THR A 25 9.160 -3.644 -6.396 1.00 0.00 N ATOM 340 CA THR A 25 8.869 -2.756 -7.490 1.00 0.00 C ATOM 341 C THR A 25 7.699 -1.839 -7.196 1.00 0.00 C ATOM 342 O THR A 25 7.828 -0.631 -7.372 1.00 0.00 O ATOM 343 CB THR A 25 8.612 -3.517 -8.783 1.00 0.00 C ATOM 344 OG1 THR A 25 8.445 -4.913 -8.533 1.00 0.00 O ATOM 345 CG2 THR A 25 9.840 -3.338 -9.697 1.00 0.00 C ATOM 0 H THR A 25 9.106 -4.630 -6.651 1.00 0.00 H new ATOM 0 HA THR A 25 9.759 -2.139 -7.616 1.00 0.00 H new ATOM 0 HB THR A 25 7.704 -3.130 -9.245 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.626 -5.057 -8.014 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.679 -3.875 -10.632 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.985 -2.279 -9.908 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.725 -3.733 -9.199 1.00 0.00 H new ATOM 353 N LEU A 26 6.539 -2.384 -6.738 1.00 0.00 N ATOM 354 CA LEU A 26 5.322 -1.607 -6.566 1.00 0.00 C ATOM 355 C LEU A 26 5.486 -0.518 -5.548 1.00 0.00 C ATOM 356 O LEU A 26 5.031 0.607 -5.731 1.00 0.00 O ATOM 357 CB LEU A 26 4.112 -2.434 -6.074 1.00 0.00 C ATOM 358 CG LEU A 26 3.674 -3.580 -7.010 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.591 -4.441 -6.334 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.219 -3.071 -8.389 1.00 0.00 C ATOM 0 H LEU A 26 6.441 -3.367 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 26 5.136 -1.216 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.353 -2.856 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.267 -1.761 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 26 4.546 -4.207 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.293 -5.245 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.988 -4.867 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.725 -3.821 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.921 -3.917 -9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.372 -2.395 -8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.040 -2.540 -8.870 1.00 0.00 H new ATOM 372 N CYS A 27 6.168 -0.838 -4.433 1.00 0.00 N ATOM 373 CA CYS A 27 6.444 0.097 -3.368 1.00 0.00 C ATOM 374 C CYS A 27 7.355 1.175 -3.898 1.00 0.00 C ATOM 375 O CYS A 27 7.092 2.365 -3.713 1.00 0.00 O ATOM 376 CB CYS A 27 7.069 -0.611 -2.133 1.00 0.00 C ATOM 377 SG CYS A 27 7.157 0.402 -0.635 1.00 0.00 S ATOM 0 H CYS A 27 6.541 -1.771 -4.260 1.00 0.00 H new ATOM 0 HA CYS A 27 5.508 0.542 -3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.488 -1.507 -1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.076 -0.939 -2.392 1.00 0.00 H new ATOM 382 N LYS A 28 8.420 0.790 -4.636 1.00 0.00 N ATOM 383 CA LYS A 28 9.411 1.729 -5.118 1.00 0.00 C ATOM 384 C LYS A 28 8.856 2.663 -6.158 1.00 0.00 C ATOM 385 O LYS A 28 9.189 3.847 -6.152 1.00 0.00 O ATOM 386 CB LYS A 28 10.679 1.042 -5.668 1.00 0.00 C ATOM 387 CG LYS A 28 11.555 0.497 -4.528 1.00 0.00 C ATOM 388 CD LYS A 28 12.731 -0.364 -5.008 1.00 0.00 C ATOM 389 CE LYS A 28 13.800 -0.598 -3.928 1.00 0.00 C ATOM 390 NZ LYS A 28 13.221 -1.160 -2.684 1.00 0.00 N ATOM 0 H LYS A 28 8.600 -0.178 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 28 9.696 2.309 -4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.395 0.227 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.252 1.753 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.943 1.335 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.934 -0.095 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.351 -1.328 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.195 0.116 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.561 -1.277 -4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.299 0.344 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.978 -1.318 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.525 -0.493 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.752 -2.064 -2.897 1.00 0.00 H new ATOM 404 N GLU A 29 7.960 2.195 -7.056 1.00 0.00 N ATOM 405 CA GLU A 29 7.394 3.058 -8.079 1.00 0.00 C ATOM 406 C GLU A 29 6.387 4.038 -7.518 1.00 0.00 C ATOM 407 O GLU A 29 5.948 4.946 -8.221 1.00 0.00 O ATOM 408 CB GLU A 29 6.754 2.299 -9.268 1.00 0.00 C ATOM 409 CG GLU A 29 5.574 1.391 -8.898 1.00 0.00 C ATOM 410 CD GLU A 29 5.095 0.643 -10.139 1.00 0.00 C ATOM 411 OE1 GLU A 29 4.467 1.292 -11.017 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.353 -0.587 -10.228 1.00 0.00 O ATOM 0 H GLU A 29 7.625 1.232 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 29 8.256 3.603 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.415 3.028 -10.005 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.522 1.693 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.876 0.682 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.760 1.986 -8.483 1.00 0.00 H new ATOM 419 N LYS A 30 6.017 3.898 -6.224 1.00 0.00 N ATOM 420 CA LYS A 30 5.172 4.853 -5.545 1.00 0.00 C ATOM 421 C LYS A 30 6.011 5.659 -4.591 1.00 0.00 C ATOM 422 O LYS A 30 5.505 6.532 -3.888 1.00 0.00 O ATOM 423 CB LYS A 30 4.044 4.158 -4.757 1.00 0.00 C ATOM 424 CG LYS A 30 3.089 3.344 -5.654 1.00 0.00 C ATOM 425 CD LYS A 30 2.325 4.176 -6.702 1.00 0.00 C ATOM 426 CE LYS A 30 1.289 3.357 -7.487 1.00 0.00 C ATOM 427 NZ LYS A 30 1.940 2.285 -8.275 1.00 0.00 N ATOM 0 H LYS A 30 6.306 3.114 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 30 4.714 5.495 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.485 3.496 -4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.471 4.911 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.664 2.575 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.366 2.831 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.821 5.004 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.039 4.612 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.569 2.918 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.731 4.014 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.295 1.473 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.168 2.642 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.815 1.986 -7.798 1.00 0.00 H new ATOM 441 N GLY A 31 7.334 5.396 -4.557 1.00 0.00 N ATOM 442 CA GLY A 31 8.267 6.160 -3.771 1.00 0.00 C ATOM 443 C GLY A 31 8.279 5.709 -2.347 1.00 0.00 C ATOM 444 O GLY A 31 8.553 6.509 -1.456 1.00 0.00 O ATOM 0 H GLY A 31 7.767 4.638 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.267 6.062 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.004 7.217 -3.817 1.00 0.00 H new ATOM 448 N GLY A 32 7.991 4.414 -2.091 1.00 0.00 N ATOM 449 CA GLY A 32 8.134 3.829 -0.784 1.00 0.00 C ATOM 450 C GLY A 32 9.462 3.164 -0.795 1.00 0.00 C ATOM 451 O GLY A 32 9.872 2.595 -1.807 1.00 0.00 O ATOM 0 H GLY A 32 7.654 3.763 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.081 4.589 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.337 3.113 -0.584 1.00 0.00 H new ATOM 455 N THR A 33 10.194 3.254 0.331 1.00 0.00 N ATOM 456 CA THR A 33 11.599 2.952 0.324 1.00 0.00 C ATOM 457 C THR A 33 11.741 1.500 0.695 1.00 0.00 C ATOM 458 O THR A 33 12.331 0.719 -0.051 1.00 0.00 O ATOM 459 CB THR A 33 12.371 3.884 1.240 1.00 0.00 C ATOM 460 OG1 THR A 33 11.988 5.238 0.979 1.00 0.00 O ATOM 461 CG2 THR A 33 13.889 3.745 0.990 1.00 0.00 C ATOM 0 H THR A 33 9.821 3.532 1.239 1.00 0.00 H new ATOM 0 HA THR A 33 12.032 3.114 -0.663 1.00 0.00 H new ATOM 0 HB THR A 33 12.146 3.620 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.063 5.379 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.430 4.419 1.654 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.197 2.718 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.112 4.000 -0.046 1.00 0.00 H new ATOM 469 N SER A 34 11.173 1.086 1.847 1.00 0.00 N ATOM 470 CA SER A 34 11.154 -0.308 2.217 1.00 0.00 C ATOM 471 C SER A 34 9.737 -0.691 1.993 1.00 0.00 C ATOM 472 O SER A 34 8.861 0.149 2.193 1.00 0.00 O ATOM 473 CB SER A 34 11.473 -0.570 3.705 1.00 0.00 C ATOM 474 OG SER A 34 12.644 0.140 4.090 1.00 0.00 O ATOM 0 H SER A 34 10.728 1.709 2.521 1.00 0.00 H new ATOM 0 HA SER A 34 11.904 -0.858 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.631 -0.261 4.325 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.615 -1.638 3.871 1.00 0.00 H new ATOM 0 HG SER A 34 12.835 -0.033 5.036 1.00 0.00 H new ATOM 480 N GLY A 35 9.462 -1.946 1.597 1.00 0.00 N ATOM 481 CA GLY A 35 8.124 -2.377 1.369 1.00 0.00 C ATOM 482 C GLY A 35 8.282 -3.830 1.521 1.00 0.00 C ATOM 483 O GLY A 35 9.399 -4.325 1.355 1.00 0.00 O ATOM 0 H GLY A 35 10.170 -2.662 1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.424 -1.958 2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.762 -2.101 0.379 1.00 0.00 H new ATOM 487 N HIS A 36 7.196 -4.530 1.886 1.00 0.00 N ATOM 488 CA HIS A 36 7.198 -5.932 2.164 1.00 0.00 C ATOM 489 C HIS A 36 5.728 -6.120 2.293 1.00 0.00 C ATOM 490 O HIS A 36 4.995 -5.137 2.158 1.00 0.00 O ATOM 491 CB HIS A 36 7.957 -6.348 3.454 1.00 0.00 C ATOM 492 CG HIS A 36 7.739 -5.453 4.649 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.613 -5.487 5.425 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.549 -4.501 5.168 1.00 0.00 C ATOM 495 CE1 HIS A 36 6.742 -4.591 6.394 1.00 0.00 C ATOM 496 NE2 HIS A 36 7.910 -3.976 6.259 1.00 0.00 N ATOM 0 H HIS A 36 6.276 -4.101 1.992 1.00 0.00 H new ATOM 0 HA HIS A 36 7.715 -6.537 1.419 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.658 -7.362 3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.024 -6.378 3.234 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.809 -6.099 5.282 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.519 -4.210 4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.015 -4.394 7.167 1.00 0.00 H new ATOM 505 N CYS A 37 5.229 -7.347 2.547 1.00 0.00 N ATOM 506 CA CYS A 37 3.797 -7.539 2.616 1.00 0.00 C ATOM 507 C CYS A 37 3.254 -7.064 3.926 1.00 0.00 C ATOM 508 O CYS A 37 3.993 -6.683 4.836 1.00 0.00 O ATOM 509 CB CYS A 37 3.344 -9.006 2.436 1.00 0.00 C ATOM 510 SG CYS A 37 3.912 -9.739 0.882 1.00 0.00 S ATOM 0 H CYS A 37 5.790 -8.185 2.701 1.00 0.00 H new ATOM 0 HA CYS A 37 3.406 -6.955 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.718 -9.600 3.269 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.256 -9.051 2.476 1.00 0.00 H new ATOM 515 N GLY A 38 1.915 -7.082 4.039 1.00 0.00 N ATOM 516 CA GLY A 38 1.230 -6.752 5.236 1.00 0.00 C ATOM 517 C GLY A 38 -0.127 -7.238 4.860 1.00 0.00 C ATOM 518 O GLY A 38 -0.376 -7.473 3.673 1.00 0.00 O ATOM 0 H GLY A 38 1.295 -7.335 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.635 -7.264 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.251 -5.684 5.454 1.00 0.00 H new ATOM 522 N PHE A 39 -1.021 -7.405 5.857 1.00 0.00 N ATOM 523 CA PHE A 39 -2.380 -7.815 5.668 1.00 0.00 C ATOM 524 C PHE A 39 -3.099 -6.727 6.395 1.00 0.00 C ATOM 525 O PHE A 39 -2.711 -6.394 7.522 1.00 0.00 O ATOM 526 CB PHE A 39 -2.685 -9.189 6.323 1.00 0.00 C ATOM 527 CG PHE A 39 -3.990 -9.764 5.838 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.206 -9.424 6.457 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.004 -10.664 4.759 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.410 -9.981 6.012 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.207 -11.226 4.314 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.409 -10.893 4.948 1.00 0.00 C ATOM 0 H PHE A 39 -0.784 -7.247 6.837 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.653 -7.946 4.621 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.876 -9.885 6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.718 -9.075 7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.211 -8.727 7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.078 -10.925 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.340 -9.708 6.488 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.207 -11.915 3.483 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.336 -11.339 4.618 1.00 0.00 H new ATOM 542 N LYS A 40 -4.132 -6.145 5.747 1.00 0.00 N ATOM 543 CA LYS A 40 -4.894 -5.049 6.275 1.00 0.00 C ATOM 544 C LYS A 40 -6.256 -5.635 6.437 1.00 0.00 C ATOM 545 O LYS A 40 -6.973 -5.861 5.461 1.00 0.00 O ATOM 546 CB LYS A 40 -4.960 -3.841 5.307 1.00 0.00 C ATOM 547 CG LYS A 40 -5.958 -2.729 5.684 1.00 0.00 C ATOM 548 CD LYS A 40 -5.722 -2.096 7.065 1.00 0.00 C ATOM 549 CE LYS A 40 -6.709 -0.965 7.398 1.00 0.00 C ATOM 550 NZ LYS A 40 -8.104 -1.466 7.474 1.00 0.00 N ATOM 0 H LYS A 40 -4.446 -6.448 4.825 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.453 -4.658 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.965 -3.401 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.215 -4.210 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.911 -1.946 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.967 -3.140 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.798 -2.870 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.706 -1.705 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.433 -0.508 8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.642 -0.186 6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.610 -1.219 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.096 -2.500 7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.585 -1.031 8.287 1.00 0.00 H new ATOM 564 N VAL A 41 -6.643 -5.922 7.695 1.00 0.00 N ATOM 565 CA VAL A 41 -7.853 -6.633 8.001 1.00 0.00 C ATOM 566 C VAL A 41 -9.029 -5.752 7.656 1.00 0.00 C ATOM 567 O VAL A 41 -8.978 -4.536 7.831 1.00 0.00 O ATOM 568 CB VAL A 41 -7.937 -7.104 9.451 1.00 0.00 C ATOM 569 CG1 VAL A 41 -8.511 -8.536 9.460 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.548 -7.035 10.131 1.00 0.00 C ATOM 0 H VAL A 41 -6.105 -5.655 8.519 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.863 -7.543 7.401 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.596 -6.451 10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.580 -8.894 10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.503 -8.533 9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.856 -9.194 8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.631 -7.375 11.163 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.848 -7.674 9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.186 -6.007 10.116 1.00 0.00 H new ATOM 580 N GLY A 42 -10.087 -6.360 7.084 1.00 0.00 N ATOM 581 CA GLY A 42 -11.232 -5.635 6.598 1.00 0.00 C ATOM 582 C GLY A 42 -11.135 -5.617 5.111 1.00 0.00 C ATOM 583 O GLY A 42 -12.144 -5.698 4.419 1.00 0.00 O ATOM 0 H GLY A 42 -10.152 -7.370 6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.157 -6.114 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.244 -4.620 6.996 1.00 0.00 H new ATOM 587 N HIS A 43 -9.903 -5.513 4.575 1.00 0.00 N ATOM 588 CA HIS A 43 -9.690 -5.439 3.154 1.00 0.00 C ATOM 589 C HIS A 43 -9.189 -6.775 2.714 1.00 0.00 C ATOM 590 O HIS A 43 -9.867 -7.483 1.974 1.00 0.00 O ATOM 591 CB HIS A 43 -8.664 -4.364 2.752 1.00 0.00 C ATOM 592 CG HIS A 43 -9.133 -2.960 3.019 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.505 -2.100 2.019 1.00 0.00 N ATOM 594 CD2 HIS A 43 -9.198 -2.273 4.181 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.774 -0.922 2.562 1.00 0.00 C ATOM 596 NE2 HIS A 43 -9.601 -1.001 3.875 1.00 0.00 N ATOM 0 H HIS A 43 -9.047 -5.480 5.128 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.632 -5.166 2.678 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.735 -4.538 3.295 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.437 -4.468 1.691 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.974 -2.656 5.166 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.084 -0.039 2.023 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.744 -0.243 4.543 1.00 0.00 H new ATOM 605 N GLY A 44 -7.975 -7.166 3.150 1.00 0.00 N ATOM 606 CA GLY A 44 -7.398 -8.394 2.698 1.00 0.00 C ATOM 607 C GLY A 44 -5.929 -8.174 2.761 1.00 0.00 C ATOM 608 O GLY A 44 -5.438 -7.382 3.570 1.00 0.00 O ATOM 0 H GLY A 44 -7.400 -6.638 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.700 -9.229 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.719 -8.631 1.684 1.00 0.00 H new ATOM 612 N LEU A 45 -5.187 -8.862 1.862 1.00 0.00 N ATOM 613 CA LEU A 45 -3.759 -8.717 1.693 1.00 0.00 C ATOM 614 C LEU A 45 -3.560 -7.334 1.145 1.00 0.00 C ATOM 615 O LEU A 45 -4.326 -6.916 0.280 1.00 0.00 O ATOM 616 CB LEU A 45 -3.199 -9.757 0.680 1.00 0.00 C ATOM 617 CG LEU A 45 -1.664 -9.779 0.457 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.870 -10.352 1.647 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.314 -10.569 -0.818 1.00 0.00 C ATOM 0 H LEU A 45 -5.596 -9.547 1.226 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.239 -8.877 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.506 -10.749 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.677 -9.580 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.368 -8.735 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.195 -10.334 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.059 -9.748 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.184 -11.379 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.233 -10.574 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.672 -11.594 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.789 -10.099 -1.679 1.00 0.00 H new ATOM 631 N ALA A 46 -2.566 -6.587 1.656 1.00 0.00 N ATOM 632 CA ALA A 46 -2.340 -5.228 1.252 1.00 0.00 C ATOM 633 C ALA A 46 -0.919 -5.266 0.822 1.00 0.00 C ATOM 634 O ALA A 46 -0.380 -6.354 0.619 1.00 0.00 O ATOM 635 CB ALA A 46 -2.542 -4.237 2.412 1.00 0.00 C ATOM 0 H ALA A 46 -1.909 -6.927 2.358 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.031 -4.888 0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.360 -3.222 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.564 -4.315 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.845 -4.472 3.217 1.00 0.00 H new ATOM 641 N CYS A 47 -0.231 -4.109 0.706 1.00 0.00 N ATOM 642 CA CYS A 47 1.213 -4.230 0.769 1.00 0.00 C ATOM 643 C CYS A 47 1.527 -3.228 1.824 1.00 0.00 C ATOM 644 O CYS A 47 0.612 -2.526 2.245 1.00 0.00 O ATOM 645 CB CYS A 47 1.912 -4.001 -0.591 1.00 0.00 C ATOM 646 SG CYS A 47 3.712 -4.231 -0.570 1.00 0.00 S ATOM 0 H CYS A 47 -0.617 -3.173 0.581 1.00 0.00 H new ATOM 0 HA CYS A 47 1.580 -5.229 1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.481 -4.683 -1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.693 -2.988 -0.930 1.00 0.00 H new ATOM 651 N TRP A 48 2.780 -3.146 2.314 1.00 0.00 N ATOM 652 CA TRP A 48 3.145 -2.242 3.363 1.00 0.00 C ATOM 653 C TRP A 48 4.350 -1.580 2.775 1.00 0.00 C ATOM 654 O TRP A 48 5.063 -2.198 1.985 1.00 0.00 O ATOM 655 CB TRP A 48 3.443 -2.984 4.703 1.00 0.00 C ATOM 656 CG TRP A 48 4.071 -2.149 5.807 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.382 -1.787 5.883 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.422 -1.539 6.940 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.598 -0.973 6.960 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.407 -0.790 7.621 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.110 -1.575 7.392 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.086 -0.042 8.749 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.790 -0.846 8.548 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.761 -0.081 9.208 1.00 0.00 C ATOM 0 H TRP A 48 3.553 -3.718 1.975 1.00 0.00 H new ATOM 0 HA TRP A 48 2.361 -1.540 3.645 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.509 -3.402 5.079 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.105 -3.824 4.490 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.146 -2.100 5.187 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.495 -0.568 7.229 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.358 -2.147 6.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.834 0.550 9.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.782 -0.875 8.934 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.485 0.487 10.084 1.00 0.00 H new ATOM 675 N CYS A 49 4.577 -0.299 3.134 1.00 0.00 N ATOM 676 CA CYS A 49 5.697 0.465 2.675 1.00 0.00 C ATOM 677 C CYS A 49 6.065 1.267 3.882 1.00 0.00 C ATOM 678 O CYS A 49 5.187 1.649 4.655 1.00 0.00 O ATOM 679 CB CYS A 49 5.366 1.451 1.532 1.00 0.00 C ATOM 680 SG CYS A 49 5.226 0.643 -0.086 1.00 0.00 S ATOM 0 H CYS A 49 3.962 0.218 3.762 1.00 0.00 H new ATOM 0 HA CYS A 49 6.468 -0.194 2.276 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.430 1.960 1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.141 2.216 1.484 1.00 0.00 H new ATOM 685 N ASN A 50 7.373 1.542 4.058 1.00 0.00 N ATOM 686 CA ASN A 50 7.868 2.468 5.045 1.00 0.00 C ATOM 687 C ASN A 50 8.505 3.528 4.203 1.00 0.00 C ATOM 688 O ASN A 50 9.160 3.220 3.202 1.00 0.00 O ATOM 689 CB ASN A 50 8.981 1.951 6.008 1.00 0.00 C ATOM 690 CG ASN A 50 8.410 1.161 7.195 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.062 -0.017 7.065 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.321 1.808 8.395 1.00 0.00 N ATOM 0 H ASN A 50 8.110 1.110 3.500 1.00 0.00 H new ATOM 0 HA ASN A 50 7.041 2.744 5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.672 1.317 5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.556 2.798 6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.960 1.318 9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.616 2.781 8.473 1.00 0.00 H new ATOM 699 N ALA A 51 8.327 4.799 4.627 1.00 0.00 N ATOM 700 CA ALA A 51 8.902 5.983 4.041 1.00 0.00 C ATOM 701 C ALA A 51 8.293 6.233 2.695 1.00 0.00 C ATOM 702 O ALA A 51 8.988 6.186 1.680 1.00 0.00 O ATOM 703 CB ALA A 51 10.446 6.006 3.983 1.00 0.00 C ATOM 0 H ALA A 51 7.742 5.015 5.434 1.00 0.00 H new ATOM 0 HA ALA A 51 8.654 6.801 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.779 6.938 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.849 5.933 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.800 5.163 3.389 1.00 0.00 H new ATOM 709 N LEU A 52 6.966 6.506 2.697 1.00 0.00 N ATOM 710 CA LEU A 52 6.230 6.994 1.549 1.00 0.00 C ATOM 711 C LEU A 52 6.051 8.457 1.845 1.00 0.00 C ATOM 712 O LEU A 52 5.673 8.760 2.979 1.00 0.00 O ATOM 713 CB LEU A 52 4.793 6.427 1.402 1.00 0.00 C ATOM 714 CG LEU A 52 4.698 5.030 0.754 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.305 4.423 0.986 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.011 5.057 -0.751 1.00 0.00 C ATOM 0 H LEU A 52 6.382 6.384 3.524 1.00 0.00 H new ATOM 0 HA LEU A 52 6.773 6.720 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.335 6.383 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.204 7.126 0.808 1.00 0.00 H new ATOM 0 HG LEU A 52 5.453 4.408 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.256 3.438 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.122 4.330 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.548 5.070 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.930 4.049 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.302 5.711 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.023 5.430 -0.905 1.00 0.00 H new ATOM 728 N PRO A 53 6.277 9.400 0.942 1.00 0.00 N ATOM 729 CA PRO A 53 6.039 10.807 1.204 1.00 0.00 C ATOM 730 C PRO A 53 4.565 11.113 1.244 1.00 0.00 C ATOM 731 O PRO A 53 3.738 10.251 0.961 1.00 0.00 O ATOM 732 CB PRO A 53 6.717 11.546 0.039 1.00 0.00 C ATOM 733 CG PRO A 53 7.711 10.538 -0.545 1.00 0.00 C ATOM 734 CD PRO A 53 7.023 9.197 -0.298 1.00 0.00 C ATOM 0 HA PRO A 53 6.436 11.111 2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.987 11.859 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.225 12.446 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.886 10.712 -1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.680 10.592 -0.049 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.361 8.931 -1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.748 8.389 -0.199 1.00 0.00 H new ATOM 742 N ASP A 54 4.211 12.360 1.588 1.00 0.00 N ATOM 743 CA ASP A 54 2.864 12.721 1.958 1.00 0.00 C ATOM 744 C ASP A 54 1.918 12.833 0.788 1.00 0.00 C ATOM 745 O ASP A 54 0.732 13.096 0.975 1.00 0.00 O ATOM 746 CB ASP A 54 2.847 14.091 2.669 1.00 0.00 C ATOM 747 CG ASP A 54 3.742 14.061 3.910 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.492 13.210 4.805 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.694 14.885 3.973 1.00 0.00 O ATOM 0 H ASP A 54 4.867 13.141 1.613 1.00 0.00 H new ATOM 0 HA ASP A 54 2.528 11.912 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.190 14.867 1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.827 14.346 2.955 1.00 0.00 H new ATOM 754 N ASN A 55 2.405 12.637 -0.457 1.00 0.00 N ATOM 755 CA ASN A 55 1.592 12.755 -1.650 1.00 0.00 C ATOM 756 C ASN A 55 0.986 11.427 -1.993 1.00 0.00 C ATOM 757 O ASN A 55 0.209 11.331 -2.940 1.00 0.00 O ATOM 758 CB ASN A 55 2.381 13.244 -2.904 1.00 0.00 C ATOM 759 CG ASN A 55 3.556 12.310 -3.237 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.491 12.216 -2.436 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.493 11.602 -4.399 1.00 0.00 N ATOM 0 H ASN A 55 3.377 12.393 -0.645 1.00 0.00 H new ATOM 0 HA ASN A 55 0.835 13.502 -1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.707 13.300 -3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.756 14.252 -2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.243 10.955 -4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.696 11.719 -5.025 1.00 0.00 H new ATOM 768 N VAL A 56 1.365 10.362 -1.264 1.00 0.00 N ATOM 769 CA VAL A 56 0.944 9.027 -1.583 1.00 0.00 C ATOM 770 C VAL A 56 -0.238 8.752 -0.695 1.00 0.00 C ATOM 771 O VAL A 56 -0.224 9.125 0.475 1.00 0.00 O ATOM 772 CB VAL A 56 2.042 7.996 -1.352 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.650 6.705 -2.103 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.397 8.583 -1.826 1.00 0.00 C ATOM 0 H VAL A 56 1.969 10.424 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 56 0.694 8.950 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 56 2.155 7.751 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.421 5.949 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.700 6.335 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.552 6.919 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.188 7.850 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.338 8.824 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.619 9.488 -1.261 1.00 0.00 H new ATOM 784 N GLY A 57 -1.297 8.103 -1.221 1.00 0.00 N ATOM 785 CA GLY A 57 -2.478 7.808 -0.447 1.00 0.00 C ATOM 786 C GLY A 57 -2.400 6.365 -0.086 1.00 0.00 C ATOM 787 O GLY A 57 -1.805 5.565 -0.810 1.00 0.00 O ATOM 0 H GLY A 57 -1.339 7.779 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.520 8.430 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.380 8.015 -1.022 1.00 0.00 H new ATOM 791 N ILE A 58 -2.979 6.005 1.074 1.00 0.00 N ATOM 792 CA ILE A 58 -2.792 4.721 1.680 1.00 0.00 C ATOM 793 C ILE A 58 -4.109 4.463 2.340 1.00 0.00 C ATOM 794 O ILE A 58 -5.036 5.249 2.149 1.00 0.00 O ATOM 795 CB ILE A 58 -1.653 4.693 2.688 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.777 5.802 3.756 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.304 4.792 1.939 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.791 5.589 4.898 1.00 0.00 C ATOM 0 H ILE A 58 -3.593 6.622 1.605 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.510 3.963 0.949 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.704 3.747 3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.598 6.774 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.793 5.818 4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.514 4.772 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.205 3.950 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.269 5.724 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.906 6.387 5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.987 4.628 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.226 5.599 4.507 1.00 0.00 H new ATOM 810 N ILE A 59 -4.224 3.343 3.103 1.00 0.00 N ATOM 811 CA ILE A 59 -5.506 2.765 3.425 1.00 0.00 C ATOM 812 C ILE A 59 -6.253 3.594 4.419 1.00 0.00 C ATOM 813 O ILE A 59 -5.758 3.909 5.502 1.00 0.00 O ATOM 814 CB ILE A 59 -5.507 1.337 3.972 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.278 0.512 3.580 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.796 0.633 3.507 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.064 0.330 2.088 1.00 0.00 C ATOM 0 H ILE A 59 -3.428 2.840 3.495 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.982 2.739 2.445 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.467 1.410 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.393 0.988 4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.360 -0.472 4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.811 -0.388 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.663 1.175 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.827 0.613 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.168 -0.268 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.926 -0.178 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.943 1.305 1.616 1.00 0.00 H new ATOM 829 N VAL A 60 -7.496 3.903 4.036 1.00 0.00 N ATOM 830 CA VAL A 60 -8.542 4.481 4.817 1.00 0.00 C ATOM 831 C VAL A 60 -9.566 3.373 4.784 1.00 0.00 C ATOM 832 O VAL A 60 -9.527 2.512 3.904 1.00 0.00 O ATOM 833 CB VAL A 60 -8.983 5.776 4.126 1.00 0.00 C ATOM 834 CG1 VAL A 60 -10.483 6.114 4.243 1.00 0.00 C ATOM 835 CG2 VAL A 60 -8.068 6.905 4.646 1.00 0.00 C ATOM 0 H VAL A 60 -7.802 3.730 3.078 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.308 4.776 5.840 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.868 5.644 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.687 7.048 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.072 5.312 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.751 6.220 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.350 7.847 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.176 6.992 5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.031 6.674 4.402 1.00 0.00 H new