USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 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 34 LYS NZ :NH3+ -177:sc= 0.824 (180deg=0.145) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0.425 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 148:sc= 0.582 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 18 ASN : amide:sc=-0.00725 X(o=-0.0073,f=-0.29) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.04 K(o=-1,f=-2.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.0415 (180deg=-0.375) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0245 (180deg=-0.27) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0832 K(o=-0.083,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0.582 (180deg=0.58) USER MOD Single : A 51 SER OG : rot 87:sc= 0.289 USER MOD Single : A 52 GLN : amide:sc= -0.0623 K(o=-0.062,f=-2.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -84:sc= 0.252 USER MOD Single : A 65 LYS NZ :NH3+ -114:sc= 0.509 (180deg=-0.162) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.76) USER MOD Single : A 69 TYR OH : rot -165:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.905 5.056 0.652 1.00 0.00 N ATOM 67 CA ASP A 8 3.291 4.635 0.821 1.00 0.00 C ATOM 68 C ASP A 8 3.411 3.116 0.740 1.00 0.00 C ATOM 69 O ASP A 8 3.182 2.412 1.724 1.00 0.00 O ATOM 70 CB ASP A 8 3.837 5.131 2.161 1.00 0.00 C ATOM 71 CG ASP A 8 4.071 6.629 2.171 1.00 0.00 C ATOM 72 OD1 ASP A 8 5.135 7.066 1.686 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.190 7.364 2.666 1.00 0.00 O ATOM 0 HA ASP A 8 3.879 5.072 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.137 4.870 2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.773 4.618 2.381 1.00 0.00 H new ATOM 78 N TYR A 9 3.770 2.618 -0.438 1.00 0.00 N ATOM 79 CA TYR A 9 3.916 1.183 -0.648 1.00 0.00 C ATOM 80 C TYR A 9 4.767 0.555 0.452 1.00 0.00 C ATOM 81 O TYR A 9 4.486 -0.551 0.914 1.00 0.00 O ATOM 82 CB TYR A 9 4.547 0.908 -2.014 1.00 0.00 C ATOM 83 CG TYR A 9 3.677 1.327 -3.178 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.318 1.038 -3.194 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.213 2.011 -4.261 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.519 1.418 -4.255 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.422 2.396 -5.326 1.00 0.00 C ATOM 88 CZ TYR A 9 2.076 2.097 -5.319 1.00 0.00 C ATOM 89 OH TYR A 9 1.283 2.478 -6.377 1.00 0.00 O ATOM 0 H TYR A 9 3.965 3.187 -1.262 1.00 0.00 H new ATOM 0 HA TYR A 9 2.923 0.734 -0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.501 1.432 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.763 -0.157 -2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.879 0.507 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.267 2.246 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.464 1.185 -4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.856 2.928 -6.160 1.00 0.00 H new ATOM 0 HH TYR A 9 1.829 2.947 -7.042 1.00 0.00 H new ATOM 99 N TYR A 10 5.807 1.270 0.867 1.00 0.00 N ATOM 100 CA TYR A 10 6.700 0.783 1.912 1.00 0.00 C ATOM 101 C TYR A 10 5.921 0.435 3.176 1.00 0.00 C ATOM 102 O TYR A 10 6.249 -0.524 3.875 1.00 0.00 O ATOM 103 CB TYR A 10 7.766 1.833 2.229 1.00 0.00 C ATOM 104 CG TYR A 10 8.702 2.115 1.075 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.537 1.124 0.574 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.749 3.372 0.485 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.393 1.377 -0.480 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.602 3.634 -0.570 1.00 0.00 C ATOM 109 CZ TYR A 10 10.422 2.633 -1.049 1.00 0.00 C ATOM 110 OH TYR A 10 11.273 2.889 -2.099 1.00 0.00 O ATOM 0 H TYR A 10 6.052 2.188 0.496 1.00 0.00 H new ATOM 0 HA TYR A 10 7.187 -0.122 1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.274 2.761 2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.350 1.498 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.516 0.139 1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.108 4.158 0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.036 0.595 -0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.627 4.617 -1.017 1.00 0.00 H new ATOM 0 HH TYR A 10 10.870 3.558 -2.691 1.00 0.00 H new ATOM 120 N GLN A 11 4.888 1.220 3.462 1.00 0.00 N ATOM 121 CA GLN A 11 4.061 0.995 4.642 1.00 0.00 C ATOM 122 C GLN A 11 3.151 -0.213 4.447 1.00 0.00 C ATOM 123 O GLN A 11 2.950 -1.005 5.368 1.00 0.00 O ATOM 124 CB GLN A 11 3.222 2.237 4.947 1.00 0.00 C ATOM 125 CG GLN A 11 3.955 3.278 5.778 1.00 0.00 C ATOM 126 CD GLN A 11 3.780 3.064 7.269 1.00 0.00 C ATOM 127 OE1 GLN A 11 2.660 3.054 7.779 1.00 0.00 O ATOM 128 NE2 GLN A 11 4.890 2.891 7.976 1.00 0.00 N ATOM 0 H GLN A 11 4.603 2.017 2.893 1.00 0.00 H new ATOM 0 HA GLN A 11 4.722 0.796 5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.906 2.691 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.318 1.934 5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.017 3.251 5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.592 4.271 5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.798 2.907 7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.835 2.742 8.984 1.00 0.00 H new ATOM 137 N ILE A 12 2.604 -0.346 3.244 1.00 0.00 N ATOM 138 CA ILE A 12 1.715 -1.458 2.929 1.00 0.00 C ATOM 139 C ILE A 12 2.420 -2.797 3.122 1.00 0.00 C ATOM 140 O ILE A 12 1.800 -3.787 3.512 1.00 0.00 O ATOM 141 CB ILE A 12 1.194 -1.370 1.482 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.255 -0.172 1.328 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.485 -2.659 1.095 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.053 0.174 -0.112 1.00 0.00 C ATOM 0 H ILE A 12 2.760 0.302 2.472 1.00 0.00 H new ATOM 0 HA ILE A 12 0.871 -1.391 3.616 1.00 0.00 H new ATOM 0 HB ILE A 12 2.043 -1.231 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.678 -0.383 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.703 0.695 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.123 -2.581 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.181 -3.494 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.358 -2.826 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.724 1.032 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.873 0.417 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.530 -0.678 -0.597 1.00 0.00 H new ATOM 156 N LEU A 13 3.720 -2.819 2.849 1.00 0.00 N ATOM 157 CA LEU A 13 4.511 -4.036 2.994 1.00 0.00 C ATOM 158 C LEU A 13 5.139 -4.115 4.382 1.00 0.00 C ATOM 159 O LEU A 13 5.387 -5.202 4.902 1.00 0.00 O ATOM 160 CB LEU A 13 5.603 -4.089 1.924 1.00 0.00 C ATOM 161 CG LEU A 13 5.136 -4.405 0.503 1.00 0.00 C ATOM 162 CD1 LEU A 13 6.254 -4.150 -0.496 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.652 -5.845 0.408 1.00 0.00 C ATOM 0 H LEU A 13 4.248 -2.008 2.526 1.00 0.00 H new ATOM 0 HA LEU A 13 3.845 -4.890 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.117 -3.128 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.337 -4.839 2.219 1.00 0.00 H new ATOM 0 HG LEU A 13 4.303 -3.746 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.903 -4.381 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.554 -3.103 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.108 -4.783 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.323 -6.052 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.466 -6.521 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.819 -5.995 1.095 1.00 0.00 H new ATOM 175 N GLY A 14 5.392 -2.953 4.978 1.00 0.00 N ATOM 176 CA GLY A 14 5.986 -2.913 6.302 1.00 0.00 C ATOM 177 C GLY A 14 7.501 -2.909 6.257 1.00 0.00 C ATOM 178 O GLY A 14 8.156 -3.512 7.107 1.00 0.00 O ATOM 0 H GLY A 14 5.196 -2.040 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.639 -2.023 6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.645 -3.774 6.876 1.00 0.00 H new ATOM 182 N VAL A 15 8.061 -2.230 5.260 1.00 0.00 N ATOM 183 CA VAL A 15 9.509 -2.151 5.107 1.00 0.00 C ATOM 184 C VAL A 15 9.986 -0.704 5.139 1.00 0.00 C ATOM 185 O VAL A 15 9.298 0.213 4.691 1.00 0.00 O ATOM 186 CB VAL A 15 9.970 -2.804 3.790 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.852 -4.318 3.875 1.00 0.00 C ATOM 188 CG2 VAL A 15 9.166 -2.263 2.618 1.00 0.00 C ATOM 0 H VAL A 15 7.534 -1.727 4.546 1.00 0.00 H new ATOM 0 HA VAL A 15 9.947 -2.693 5.945 1.00 0.00 H new ATOM 0 HB VAL A 15 11.018 -2.554 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.182 -4.762 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.476 -4.686 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.814 -4.592 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.505 -2.735 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.109 -2.481 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.307 -1.185 2.547 1.00 0.00 H new ATOM 198 N PRO A 16 11.195 -0.492 5.680 1.00 0.00 N ATOM 199 CA PRO A 16 11.794 0.843 5.782 1.00 0.00 C ATOM 200 C PRO A 16 12.196 1.403 4.423 1.00 0.00 C ATOM 201 O PRO A 16 12.602 0.660 3.530 1.00 0.00 O ATOM 202 CB PRO A 16 13.031 0.611 6.653 1.00 0.00 C ATOM 203 CG PRO A 16 13.377 -0.823 6.444 1.00 0.00 C ATOM 204 CD PRO A 16 12.071 -1.538 6.233 1.00 0.00 C ATOM 0 HA PRO A 16 11.097 1.572 6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.852 1.264 6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.821 0.819 7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.032 -0.945 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.908 -1.226 7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.179 -2.377 5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.677 -1.940 7.167 1.00 0.00 H new ATOM 212 N ARG A 17 12.081 2.719 4.273 1.00 0.00 N ATOM 213 CA ARG A 17 12.432 3.379 3.021 1.00 0.00 C ATOM 214 C ARG A 17 13.806 2.926 2.535 1.00 0.00 C ATOM 215 O ARG A 17 14.099 2.974 1.341 1.00 0.00 O ATOM 216 CB ARG A 17 12.418 4.898 3.199 1.00 0.00 C ATOM 217 CG ARG A 17 11.025 5.504 3.146 1.00 0.00 C ATOM 218 CD ARG A 17 10.266 5.272 4.443 1.00 0.00 C ATOM 219 NE ARG A 17 11.029 5.711 5.609 1.00 0.00 N ATOM 220 CZ ARG A 17 10.659 5.471 6.862 1.00 0.00 C ATOM 221 NH1 ARG A 17 9.543 4.800 7.110 1.00 0.00 N ATOM 222 NH2 ARG A 17 11.406 5.903 7.870 1.00 0.00 N ATOM 0 H ARG A 17 11.748 3.349 5.003 1.00 0.00 H new ATOM 0 HA ARG A 17 11.690 3.101 2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.878 5.148 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.033 5.352 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.100 6.574 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.469 5.069 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.317 5.807 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.031 4.212 4.541 1.00 0.00 H new ATOM 0 HE ARG A 17 11.893 6.230 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.966 4.467 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.261 4.617 8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.265 6.420 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.121 5.718 8.832 1.00 0.00 H new ATOM 236 N ASN A 18 14.643 2.487 3.469 1.00 0.00 N ATOM 237 CA ASN A 18 15.987 2.027 3.135 1.00 0.00 C ATOM 238 C ASN A 18 16.071 0.505 3.195 1.00 0.00 C ATOM 239 O ASN A 18 17.088 -0.055 3.601 1.00 0.00 O ATOM 240 CB ASN A 18 17.011 2.643 4.090 1.00 0.00 C ATOM 241 CG ASN A 18 17.483 4.008 3.628 1.00 0.00 C ATOM 242 OD1 ASN A 18 17.870 4.186 2.473 1.00 0.00 O ATOM 243 ND2 ASN A 18 17.454 4.981 4.532 1.00 0.00 N ATOM 0 H ASN A 18 14.415 2.440 4.462 1.00 0.00 H new ATOM 0 HA ASN A 18 16.211 2.346 2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.571 2.731 5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.868 1.976 4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.760 5.921 4.280 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.125 4.788 5.478 1.00 0.00 H new ATOM 250 N ALA A 19 14.993 -0.158 2.787 1.00 0.00 N ATOM 251 CA ALA A 19 14.946 -1.615 2.792 1.00 0.00 C ATOM 252 C ALA A 19 15.633 -2.191 1.558 1.00 0.00 C ATOM 253 O ALA A 19 15.811 -1.499 0.556 1.00 0.00 O ATOM 254 CB ALA A 19 13.504 -2.096 2.868 1.00 0.00 C ATOM 0 H ALA A 19 14.142 0.291 2.449 1.00 0.00 H new ATOM 0 HA ALA A 19 15.483 -1.968 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.484 -3.186 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.043 -1.722 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.951 -1.725 2.005 1.00 0.00 H new ATOM 260 N SER A 20 16.019 -3.460 1.640 1.00 0.00 N ATOM 261 CA SER A 20 16.692 -4.127 0.531 1.00 0.00 C ATOM 262 C SER A 20 15.691 -4.892 -0.330 1.00 0.00 C ATOM 263 O SER A 20 14.657 -5.347 0.158 1.00 0.00 O ATOM 264 CB SER A 20 17.763 -5.083 1.058 1.00 0.00 C ATOM 265 OG SER A 20 18.912 -4.374 1.490 1.00 0.00 O ATOM 0 H SER A 20 15.878 -4.047 2.462 1.00 0.00 H new ATOM 0 HA SER A 20 17.167 -3.364 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.359 -5.666 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.041 -5.790 0.276 1.00 0.00 H new ATOM 0 HG SER A 20 19.581 -5.008 1.824 1.00 0.00 H new ATOM 271 N GLN A 21 16.008 -5.028 -1.614 1.00 0.00 N ATOM 272 CA GLN A 21 15.137 -5.737 -2.544 1.00 0.00 C ATOM 273 C GLN A 21 14.591 -7.014 -1.913 1.00 0.00 C ATOM 274 O GLN A 21 13.379 -7.230 -1.872 1.00 0.00 O ATOM 275 CB GLN A 21 15.894 -6.072 -3.830 1.00 0.00 C ATOM 276 CG GLN A 21 14.986 -6.302 -5.028 1.00 0.00 C ATOM 277 CD GLN A 21 13.901 -5.250 -5.148 1.00 0.00 C ATOM 278 OE1 GLN A 21 12.837 -5.367 -4.540 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.166 -4.214 -5.936 1.00 0.00 N ATOM 0 H GLN A 21 16.861 -4.657 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 21 14.297 -5.085 -2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.584 -5.259 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.497 -6.965 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.586 -6.306 -5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.525 -7.286 -4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.062 -4.158 -6.421 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.474 -3.474 -6.056 1.00 0.00 H new ATOM 288 N LYS A 22 15.492 -7.858 -1.423 1.00 0.00 N ATOM 289 CA LYS A 22 15.102 -9.114 -0.793 1.00 0.00 C ATOM 290 C LYS A 22 13.981 -8.891 0.216 1.00 0.00 C ATOM 291 O LYS A 22 12.973 -9.597 0.204 1.00 0.00 O ATOM 292 CB LYS A 22 16.306 -9.756 -0.100 1.00 0.00 C ATOM 293 CG LYS A 22 17.172 -10.586 -1.032 1.00 0.00 C ATOM 294 CD LYS A 22 18.194 -11.405 -0.261 1.00 0.00 C ATOM 295 CE LYS A 22 19.345 -10.540 0.230 1.00 0.00 C ATOM 296 NZ LYS A 22 20.465 -11.361 0.768 1.00 0.00 N ATOM 0 H LYS A 22 16.499 -7.695 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 22 14.738 -9.785 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.917 -8.973 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.952 -10.389 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.541 -11.251 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.685 -9.929 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.710 -11.886 0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.581 -12.200 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.710 -9.921 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.986 -9.863 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.230 -10.735 1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.124 -11.933 1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 20.825 -11.989 0.021 1.00 0.00 H new ATOM 310 N GLU A 23 14.162 -7.904 1.088 1.00 0.00 N ATOM 311 CA GLU A 23 13.164 -7.588 2.103 1.00 0.00 C ATOM 312 C GLU A 23 11.818 -7.265 1.461 1.00 0.00 C ATOM 313 O GLU A 23 10.765 -7.610 1.996 1.00 0.00 O ATOM 314 CB GLU A 23 13.630 -6.409 2.959 1.00 0.00 C ATOM 315 CG GLU A 23 14.703 -6.777 3.971 1.00 0.00 C ATOM 316 CD GLU A 23 15.114 -5.603 4.838 1.00 0.00 C ATOM 317 OE1 GLU A 23 15.602 -4.597 4.283 1.00 0.00 O ATOM 318 OE2 GLU A 23 14.946 -5.691 6.073 1.00 0.00 O ATOM 0 H GLU A 23 14.991 -7.310 1.112 1.00 0.00 H new ATOM 0 HA GLU A 23 13.042 -8.464 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.013 -5.625 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.772 -5.993 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.336 -7.583 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.578 -7.159 3.445 1.00 0.00 H new ATOM 325 N ILE A 24 11.863 -6.600 0.312 1.00 0.00 N ATOM 326 CA ILE A 24 10.648 -6.230 -0.404 1.00 0.00 C ATOM 327 C ILE A 24 9.914 -7.465 -0.915 1.00 0.00 C ATOM 328 O ILE A 24 8.691 -7.564 -0.807 1.00 0.00 O ATOM 329 CB ILE A 24 10.955 -5.300 -1.592 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.418 -3.931 -1.090 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.730 -5.157 -2.484 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.288 -3.187 -2.079 1.00 0.00 C ATOM 0 H ILE A 24 12.727 -6.306 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 24 10.012 -5.700 0.306 1.00 0.00 H new ATOM 0 HB ILE A 24 11.759 -5.741 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.543 -3.323 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.970 -4.062 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.963 -4.497 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.441 -6.136 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.907 -4.735 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.579 -2.225 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.181 -3.775 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.732 -3.024 -3.002 1.00 0.00 H new ATOM 344 N LYS A 25 10.668 -8.406 -1.472 1.00 0.00 N ATOM 345 CA LYS A 25 10.091 -9.638 -1.999 1.00 0.00 C ATOM 346 C LYS A 25 9.601 -10.536 -0.868 1.00 0.00 C ATOM 347 O LYS A 25 8.531 -11.139 -0.958 1.00 0.00 O ATOM 348 CB LYS A 25 11.121 -10.385 -2.848 1.00 0.00 C ATOM 349 CG LYS A 25 10.624 -11.722 -3.372 1.00 0.00 C ATOM 350 CD LYS A 25 11.764 -12.709 -3.555 1.00 0.00 C ATOM 351 CE LYS A 25 11.286 -14.145 -3.415 1.00 0.00 C ATOM 352 NZ LYS A 25 10.866 -14.456 -2.020 1.00 0.00 N ATOM 0 H LYS A 25 11.681 -8.340 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 25 9.238 -9.373 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.407 -9.757 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.020 -10.549 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.891 -12.136 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.114 -11.574 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.214 -12.568 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.541 -12.510 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.450 -14.317 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.084 -14.824 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.922 -15.482 -1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.495 -13.968 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.888 -14.135 -1.872 1.00 0.00 H new ATOM 366 N LYS A 26 10.389 -10.621 0.199 1.00 0.00 N ATOM 367 CA LYS A 26 10.035 -11.443 1.349 1.00 0.00 C ATOM 368 C LYS A 26 8.757 -10.934 2.009 1.00 0.00 C ATOM 369 O LYS A 26 7.825 -11.701 2.250 1.00 0.00 O ATOM 370 CB LYS A 26 11.178 -11.451 2.367 1.00 0.00 C ATOM 371 CG LYS A 26 11.224 -12.707 3.220 1.00 0.00 C ATOM 372 CD LYS A 26 11.977 -13.828 2.523 1.00 0.00 C ATOM 373 CE LYS A 26 13.479 -13.703 2.732 1.00 0.00 C ATOM 374 NZ LYS A 26 13.869 -13.997 4.139 1.00 0.00 N ATOM 0 H LYS A 26 11.278 -10.130 0.290 1.00 0.00 H new ATOM 0 HA LYS A 26 9.862 -12.460 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.125 -11.346 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.079 -10.583 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.703 -12.483 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.208 -13.034 3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.634 -14.790 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.754 -13.810 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.997 -14.388 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.800 -12.695 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.881 -14.235 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.688 -13.162 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.311 -14.800 4.493 1.00 0.00 H new ATOM 388 N ALA A 27 8.720 -9.637 2.295 1.00 0.00 N ATOM 389 CA ALA A 27 7.555 -9.026 2.923 1.00 0.00 C ATOM 390 C ALA A 27 6.308 -9.217 2.067 1.00 0.00 C ATOM 391 O ALA A 27 5.271 -9.667 2.556 1.00 0.00 O ATOM 392 CB ALA A 27 7.805 -7.546 3.173 1.00 0.00 C ATOM 0 H ALA A 27 9.484 -8.989 2.102 1.00 0.00 H new ATOM 0 HA ALA A 27 7.387 -9.521 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.927 -7.103 3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.666 -7.429 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.002 -7.045 2.225 1.00 0.00 H new ATOM 398 N TYR A 28 6.414 -8.870 0.789 1.00 0.00 N ATOM 399 CA TYR A 28 5.293 -9.000 -0.134 1.00 0.00 C ATOM 400 C TYR A 28 4.634 -10.370 -0.001 1.00 0.00 C ATOM 401 O TYR A 28 3.497 -10.483 0.459 1.00 0.00 O ATOM 402 CB TYR A 28 5.763 -8.786 -1.573 1.00 0.00 C ATOM 403 CG TYR A 28 4.770 -9.259 -2.611 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.505 -8.692 -2.700 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.099 -10.271 -3.504 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.595 -9.122 -3.646 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.196 -10.706 -4.455 1.00 0.00 C ATOM 408 CZ TYR A 28 2.945 -10.129 -4.521 1.00 0.00 C ATOM 409 OH TYR A 28 2.042 -10.559 -5.466 1.00 0.00 O ATOM 0 H TYR A 28 7.265 -8.496 0.369 1.00 0.00 H new ATOM 0 HA TYR A 28 4.557 -8.237 0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.960 -7.725 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.707 -9.311 -1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.228 -7.902 -2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.077 -10.726 -3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.615 -8.672 -3.700 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.468 -11.493 -5.143 1.00 0.00 H new ATOM 0 HH TYR A 28 2.446 -11.272 -6.003 1.00 0.00 H new ATOM 419 N TYR A 29 5.356 -11.408 -0.406 1.00 0.00 N ATOM 420 CA TYR A 29 4.843 -12.771 -0.335 1.00 0.00 C ATOM 421 C TYR A 29 4.294 -13.075 1.056 1.00 0.00 C ATOM 422 O TYR A 29 3.200 -13.620 1.198 1.00 0.00 O ATOM 423 CB TYR A 29 5.943 -13.772 -0.691 1.00 0.00 C ATOM 424 CG TYR A 29 6.032 -14.074 -2.170 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.020 -14.772 -2.818 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.128 -13.662 -2.918 1.00 0.00 C ATOM 427 CE1 TYR A 29 5.098 -15.050 -4.169 1.00 0.00 C ATOM 428 CE2 TYR A 29 7.212 -13.934 -4.270 1.00 0.00 C ATOM 429 CZ TYR A 29 6.195 -14.629 -4.891 1.00 0.00 C ATOM 430 OH TYR A 29 6.277 -14.904 -6.237 1.00 0.00 O ATOM 0 H TYR A 29 6.299 -11.332 -0.787 1.00 0.00 H new ATOM 0 HA TYR A 29 4.030 -12.864 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.902 -13.382 -0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.766 -14.701 -0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.159 -15.102 -2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.927 -13.120 -2.435 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.304 -15.595 -4.658 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.069 -13.604 -4.838 1.00 0.00 H new ATOM 0 HH TYR A 29 7.112 -14.537 -6.596 1.00 0.00 H new ATOM 440 N GLN A 30 5.063 -12.717 2.079 1.00 0.00 N ATOM 441 CA GLN A 30 4.655 -12.950 3.459 1.00 0.00 C ATOM 442 C GLN A 30 3.273 -12.364 3.725 1.00 0.00 C ATOM 443 O GLN A 30 2.489 -12.919 4.496 1.00 0.00 O ATOM 444 CB GLN A 30 5.674 -12.342 4.425 1.00 0.00 C ATOM 445 CG GLN A 30 6.793 -13.297 4.810 1.00 0.00 C ATOM 446 CD GLN A 30 6.354 -14.329 5.830 1.00 0.00 C ATOM 447 OE1 GLN A 30 5.628 -15.270 5.506 1.00 0.00 O ATOM 448 NE2 GLN A 30 6.793 -14.159 7.072 1.00 0.00 N ATOM 0 H GLN A 30 5.972 -12.265 1.978 1.00 0.00 H new ATOM 0 HA GLN A 30 4.610 -14.027 3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.108 -11.452 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.157 -12.018 5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.155 -13.806 3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.630 -12.727 5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.393 -13.365 7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.530 -14.822 7.801 1.00 0.00 H new ATOM 457 N LEU A 31 2.979 -11.239 3.082 1.00 0.00 N ATOM 458 CA LEU A 31 1.691 -10.576 3.249 1.00 0.00 C ATOM 459 C LEU A 31 0.667 -11.118 2.256 1.00 0.00 C ATOM 460 O LEU A 31 -0.536 -11.093 2.514 1.00 0.00 O ATOM 461 CB LEU A 31 1.844 -9.065 3.066 1.00 0.00 C ATOM 462 CG LEU A 31 2.443 -8.304 4.249 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.025 -6.976 3.790 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.393 -8.083 5.328 1.00 0.00 C ATOM 0 H LEU A 31 3.616 -10.767 2.440 1.00 0.00 H new ATOM 0 HA LEU A 31 1.335 -10.779 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.469 -8.886 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.862 -8.644 2.848 1.00 0.00 H new ATOM 0 HG LEU A 31 3.249 -8.904 4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.447 -6.448 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.808 -7.157 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.238 -6.369 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.837 -7.540 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.566 -7.504 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.023 -9.047 5.678 1.00 0.00 H new ATOM 476 N ALA A 32 1.154 -11.610 1.122 1.00 0.00 N ATOM 477 CA ALA A 32 0.282 -12.162 0.092 1.00 0.00 C ATOM 478 C ALA A 32 -0.442 -13.406 0.595 1.00 0.00 C ATOM 479 O ALA A 32 -1.668 -13.424 0.702 1.00 0.00 O ATOM 480 CB ALA A 32 1.083 -12.485 -1.160 1.00 0.00 C ATOM 0 H ALA A 32 2.148 -11.638 0.893 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.469 -11.411 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.419 -12.896 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.549 -11.575 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.856 -13.215 -0.919 1.00 0.00 H new ATOM 486 N LYS A 33 0.325 -14.447 0.904 1.00 0.00 N ATOM 487 CA LYS A 33 -0.242 -15.696 1.397 1.00 0.00 C ATOM 488 C LYS A 33 -1.148 -15.446 2.598 1.00 0.00 C ATOM 489 O LYS A 33 -2.200 -16.071 2.737 1.00 0.00 O ATOM 490 CB LYS A 33 0.874 -16.671 1.780 1.00 0.00 C ATOM 491 CG LYS A 33 1.950 -16.050 2.654 1.00 0.00 C ATOM 492 CD LYS A 33 3.309 -16.678 2.396 1.00 0.00 C ATOM 493 CE LYS A 33 3.412 -18.059 3.025 1.00 0.00 C ATOM 494 NZ LYS A 33 4.685 -18.741 2.660 1.00 0.00 N ATOM 0 H LYS A 33 1.342 -14.450 0.821 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.840 -16.134 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.438 -17.522 2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.334 -17.058 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.001 -14.978 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.684 -16.174 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.479 -16.752 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.091 -16.034 2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.346 -17.970 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.568 -18.669 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.717 -19.679 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.737 -18.849 1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.491 -18.172 2.990 1.00 0.00 H new ATOM 508 N LYS A 34 -0.734 -14.528 3.464 1.00 0.00 N ATOM 509 CA LYS A 34 -1.509 -14.192 4.653 1.00 0.00 C ATOM 510 C LYS A 34 -2.902 -13.700 4.274 1.00 0.00 C ATOM 511 O LYS A 34 -3.877 -13.967 4.976 1.00 0.00 O ATOM 512 CB LYS A 34 -0.785 -13.122 5.474 1.00 0.00 C ATOM 513 CG LYS A 34 -1.580 -12.634 6.672 1.00 0.00 C ATOM 514 CD LYS A 34 -1.025 -11.327 7.214 1.00 0.00 C ATOM 515 CE LYS A 34 -1.318 -11.169 8.698 1.00 0.00 C ATOM 516 NZ LYS A 34 -2.767 -10.940 8.956 1.00 0.00 N ATOM 0 H LYS A 34 0.135 -14.003 3.365 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.613 -15.095 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.167 -13.524 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.558 -12.273 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.623 -12.497 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.561 -13.391 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.052 -11.292 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.459 -10.491 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.991 -12.063 9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.742 -10.333 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.918 -10.787 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.085 -10.102 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.310 -11.771 8.646 1.00 0.00 H new ATOM 530 N TYR A 35 -2.988 -12.983 3.159 1.00 0.00 N ATOM 531 CA TYR A 35 -4.262 -12.454 2.687 1.00 0.00 C ATOM 532 C TYR A 35 -4.635 -13.056 1.336 1.00 0.00 C ATOM 533 O TYR A 35 -5.155 -12.366 0.458 1.00 0.00 O ATOM 534 CB TYR A 35 -4.196 -10.929 2.578 1.00 0.00 C ATOM 535 CG TYR A 35 -3.923 -10.239 3.896 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.801 -10.369 4.965 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.788 -9.457 4.071 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.557 -9.740 6.170 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.535 -8.826 5.273 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.422 -8.970 6.320 1.00 0.00 C ATOM 541 OH TYR A 35 -3.174 -8.341 7.518 1.00 0.00 O ATOM 0 H TYR A 35 -2.191 -12.755 2.565 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.030 -12.727 3.410 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.416 -10.657 1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.139 -10.561 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.690 -10.972 4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.092 -9.341 3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.251 -9.850 6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.647 -8.223 5.393 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.334 -7.840 7.457 1.00 0.00 H new ATOM 551 N HIS A 36 -4.365 -14.348 1.176 1.00 0.00 N ATOM 552 CA HIS A 36 -4.673 -15.045 -0.068 1.00 0.00 C ATOM 553 C HIS A 36 -6.180 -15.090 -0.307 1.00 0.00 C ATOM 554 O HIS A 36 -6.973 -15.278 0.615 1.00 0.00 O ATOM 555 CB HIS A 36 -4.108 -16.465 -0.034 1.00 0.00 C ATOM 556 CG HIS A 36 -3.724 -16.989 -1.384 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.433 -17.974 -2.038 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.700 -16.657 -2.204 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.860 -18.227 -3.201 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.807 -17.441 -3.326 1.00 0.00 N ATOM 0 H HIS A 36 -3.934 -14.933 1.892 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.209 -14.497 -0.888 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.233 -16.484 0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.848 -17.131 0.408 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.940 -15.914 -2.012 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.196 -18.953 -3.926 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.175 -17.420 -4.126 1.00 0.00 H new ATOM 704 N ALA A 46 -9.936 -8.501 2.250 1.00 0.00 N ATOM 705 CA ALA A 46 -8.813 -9.267 1.725 1.00 0.00 C ATOM 706 C ALA A 46 -8.610 -8.996 0.238 1.00 0.00 C ATOM 707 O ALA A 46 -7.523 -8.606 -0.190 1.00 0.00 O ATOM 708 CB ALA A 46 -9.030 -10.754 1.967 1.00 0.00 C ATOM 0 HA ALA A 46 -7.912 -8.951 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.184 -11.315 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.118 -10.939 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.944 -11.074 1.467 1.00 0.00 H new ATOM 714 N LYS A 47 -9.662 -9.206 -0.546 1.00 0.00 N ATOM 715 CA LYS A 47 -9.600 -8.983 -1.986 1.00 0.00 C ATOM 716 C LYS A 47 -8.921 -7.654 -2.302 1.00 0.00 C ATOM 717 O LYS A 47 -8.126 -7.561 -3.236 1.00 0.00 O ATOM 718 CB LYS A 47 -11.007 -9.006 -2.587 1.00 0.00 C ATOM 719 CG LYS A 47 -11.797 -7.733 -2.334 1.00 0.00 C ATOM 720 CD LYS A 47 -13.082 -7.705 -3.143 1.00 0.00 C ATOM 721 CE LYS A 47 -13.811 -6.378 -2.986 1.00 0.00 C ATOM 722 NZ LYS A 47 -14.623 -6.336 -1.739 1.00 0.00 N ATOM 0 H LYS A 47 -10.568 -9.530 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.010 -9.786 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.931 -9.169 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.556 -9.852 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.032 -7.655 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.186 -6.867 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.854 -7.874 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.733 -8.519 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.086 -5.564 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.459 -6.216 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.104 -5.416 -1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.332 -7.097 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.001 -6.466 -0.915 1.00 0.00 H new ATOM 736 N GLU A 48 -9.241 -6.630 -1.517 1.00 0.00 N ATOM 737 CA GLU A 48 -8.661 -5.307 -1.715 1.00 0.00 C ATOM 738 C GLU A 48 -7.202 -5.280 -1.267 1.00 0.00 C ATOM 739 O GLU A 48 -6.358 -4.642 -1.897 1.00 0.00 O ATOM 740 CB GLU A 48 -9.462 -4.254 -0.947 1.00 0.00 C ATOM 741 CG GLU A 48 -9.458 -2.885 -1.606 1.00 0.00 C ATOM 742 CD GLU A 48 -9.575 -1.754 -0.603 1.00 0.00 C ATOM 743 OE1 GLU A 48 -8.627 -1.561 0.187 1.00 0.00 O ATOM 744 OE2 GLU A 48 -10.615 -1.063 -0.606 1.00 0.00 O ATOM 0 H GLU A 48 -9.898 -6.691 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.700 -5.077 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.492 -4.596 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.055 -4.164 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.538 -2.764 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.284 -2.824 -2.314 1.00 0.00 H new ATOM 751 N LYS A 49 -6.913 -5.976 -0.173 1.00 0.00 N ATOM 752 CA LYS A 49 -5.558 -6.034 0.362 1.00 0.00 C ATOM 753 C LYS A 49 -4.603 -6.669 -0.644 1.00 0.00 C ATOM 754 O LYS A 49 -3.571 -6.091 -0.986 1.00 0.00 O ATOM 755 CB LYS A 49 -5.537 -6.826 1.671 1.00 0.00 C ATOM 756 CG LYS A 49 -5.758 -5.968 2.905 1.00 0.00 C ATOM 757 CD LYS A 49 -5.688 -6.794 4.178 1.00 0.00 C ATOM 758 CE LYS A 49 -7.052 -7.352 4.555 1.00 0.00 C ATOM 759 NZ LYS A 49 -7.155 -7.623 6.016 1.00 0.00 N ATOM 0 H LYS A 49 -7.600 -6.508 0.361 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.227 -5.014 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.307 -7.597 1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.579 -7.337 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.007 -5.179 2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.730 -5.479 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.983 -7.614 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.308 -6.178 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.828 -6.645 4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.234 -8.273 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.087 -8.034 6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.410 -8.291 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.041 -6.734 6.543 1.00 0.00 H new ATOM 773 N PHE A 50 -4.954 -7.861 -1.116 1.00 0.00 N ATOM 774 CA PHE A 50 -4.128 -8.574 -2.083 1.00 0.00 C ATOM 775 C PHE A 50 -3.834 -7.698 -3.298 1.00 0.00 C ATOM 776 O PHE A 50 -2.683 -7.555 -3.709 1.00 0.00 O ATOM 777 CB PHE A 50 -4.822 -9.863 -2.526 1.00 0.00 C ATOM 778 CG PHE A 50 -3.923 -10.800 -3.280 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.656 -10.594 -4.624 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.344 -11.887 -2.645 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.828 -11.454 -5.321 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.515 -12.750 -3.337 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.258 -12.534 -4.676 1.00 0.00 C ATOM 0 H PHE A 50 -5.805 -8.353 -0.844 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.183 -8.825 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.213 -10.376 -1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.676 -9.609 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.100 -9.751 -5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.543 -12.062 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.627 -11.282 -6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.069 -13.593 -2.830 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.612 -13.209 -5.218 1.00 0.00 H new ATOM 793 N SER A 51 -4.884 -7.115 -3.867 1.00 0.00 N ATOM 794 CA SER A 51 -4.740 -6.257 -5.037 1.00 0.00 C ATOM 795 C SER A 51 -3.733 -5.142 -4.773 1.00 0.00 C ATOM 796 O SER A 51 -3.099 -4.633 -5.696 1.00 0.00 O ATOM 797 CB SER A 51 -6.093 -5.656 -5.425 1.00 0.00 C ATOM 798 OG SER A 51 -6.971 -6.653 -5.918 1.00 0.00 O ATOM 0 H SER A 51 -5.843 -7.221 -3.537 1.00 0.00 H new ATOM 0 HA SER A 51 -4.372 -6.868 -5.861 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.540 -5.169 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.949 -4.887 -6.183 1.00 0.00 H new ATOM 0 HG SER A 51 -7.445 -7.071 -5.169 1.00 0.00 H new ATOM 804 N GLN A 52 -3.593 -4.768 -3.505 1.00 0.00 N ATOM 805 CA GLN A 52 -2.663 -3.713 -3.118 1.00 0.00 C ATOM 806 C GLN A 52 -1.239 -4.249 -3.027 1.00 0.00 C ATOM 807 O GLN A 52 -0.318 -3.701 -3.634 1.00 0.00 O ATOM 808 CB GLN A 52 -3.079 -3.105 -1.777 1.00 0.00 C ATOM 809 CG GLN A 52 -4.044 -1.938 -1.911 1.00 0.00 C ATOM 810 CD GLN A 52 -3.344 -0.637 -2.250 1.00 0.00 C ATOM 811 OE1 GLN A 52 -2.701 -0.518 -3.294 1.00 0.00 O ATOM 812 NE2 GLN A 52 -3.465 0.348 -1.368 1.00 0.00 N ATOM 0 H GLN A 52 -4.111 -5.179 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.691 -2.939 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.541 -3.879 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.187 -2.769 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.776 -2.164 -2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.594 -1.818 -0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.007 0.206 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.016 1.247 -1.543 1.00 0.00 H new ATOM 821 N LEU A 53 -1.063 -5.323 -2.265 1.00 0.00 N ATOM 822 CA LEU A 53 0.250 -5.934 -2.094 1.00 0.00 C ATOM 823 C LEU A 53 0.954 -6.097 -3.438 1.00 0.00 C ATOM 824 O LEU A 53 2.014 -5.517 -3.669 1.00 0.00 O ATOM 825 CB LEU A 53 0.117 -7.294 -1.407 1.00 0.00 C ATOM 826 CG LEU A 53 -0.201 -7.262 0.088 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.510 -8.661 0.598 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.956 -6.653 0.866 1.00 0.00 C ATOM 0 H LEU A 53 -1.814 -5.789 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 53 0.851 -5.275 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.666 -7.859 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.048 -7.843 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.083 -6.639 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.734 -8.618 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.370 -9.062 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.353 -9.307 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.712 -6.638 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.855 -7.249 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.131 -5.634 0.520 1.00 0.00 H new ATOM 840 N ALA A 54 0.355 -6.890 -4.321 1.00 0.00 N ATOM 841 CA ALA A 54 0.922 -7.126 -5.643 1.00 0.00 C ATOM 842 C ALA A 54 1.382 -5.821 -6.284 1.00 0.00 C ATOM 843 O ALA A 54 2.565 -5.643 -6.571 1.00 0.00 O ATOM 844 CB ALA A 54 -0.092 -7.826 -6.535 1.00 0.00 C ATOM 0 H ALA A 54 -0.522 -7.379 -4.145 1.00 0.00 H new ATOM 0 HA ALA A 54 1.794 -7.770 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.345 -7.996 -7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.368 -8.782 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.980 -7.202 -6.635 1.00 0.00 H new ATOM 850 N GLU A 55 0.438 -4.912 -6.508 1.00 0.00 N ATOM 851 CA GLU A 55 0.747 -3.624 -7.117 1.00 0.00 C ATOM 852 C GLU A 55 1.994 -3.010 -6.487 1.00 0.00 C ATOM 853 O GLU A 55 2.927 -2.617 -7.187 1.00 0.00 O ATOM 854 CB GLU A 55 -0.437 -2.667 -6.969 1.00 0.00 C ATOM 855 CG GLU A 55 -0.294 -1.391 -7.781 1.00 0.00 C ATOM 856 CD GLU A 55 -1.574 -0.579 -7.823 1.00 0.00 C ATOM 857 OE1 GLU A 55 -1.859 0.129 -6.835 1.00 0.00 O ATOM 858 OE2 GLU A 55 -2.290 -0.653 -8.843 1.00 0.00 O ATOM 0 H GLU A 55 -0.547 -5.044 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 55 0.940 -3.789 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.349 -3.181 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.554 -2.407 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.504 -0.782 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.005 -1.644 -8.798 1.00 0.00 H new ATOM 865 N ALA A 56 2.002 -2.931 -5.161 1.00 0.00 N ATOM 866 CA ALA A 56 3.133 -2.366 -4.436 1.00 0.00 C ATOM 867 C ALA A 56 4.436 -3.053 -4.831 1.00 0.00 C ATOM 868 O ALA A 56 5.381 -2.402 -5.278 1.00 0.00 O ATOM 869 CB ALA A 56 2.908 -2.480 -2.935 1.00 0.00 C ATOM 0 H ALA A 56 1.238 -3.251 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 56 3.213 -1.312 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.761 -2.054 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.003 -1.938 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.799 -3.530 -2.662 1.00 0.00 H new ATOM 875 N TYR A 57 4.480 -4.369 -4.662 1.00 0.00 N ATOM 876 CA TYR A 57 5.669 -5.144 -4.998 1.00 0.00 C ATOM 877 C TYR A 57 6.112 -4.867 -6.432 1.00 0.00 C ATOM 878 O TYR A 57 7.293 -4.645 -6.695 1.00 0.00 O ATOM 879 CB TYR A 57 5.399 -6.638 -4.815 1.00 0.00 C ATOM 880 CG TYR A 57 6.499 -7.523 -5.355 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.646 -7.772 -4.611 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.392 -8.111 -6.610 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.654 -8.580 -5.102 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.394 -8.921 -7.108 1.00 0.00 C ATOM 885 CZ TYR A 57 8.524 -9.152 -6.350 1.00 0.00 C ATOM 886 OH TYR A 57 9.525 -9.958 -6.841 1.00 0.00 O ATOM 0 H TYR A 57 3.706 -4.922 -4.294 1.00 0.00 H new ATOM 0 HA TYR A 57 6.471 -4.842 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.264 -6.847 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.463 -6.893 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.751 -7.327 -3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.510 -7.931 -7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.539 -8.763 -4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.294 -9.371 -8.085 1.00 0.00 H new ATOM 0 HH TYR A 57 9.277 -10.282 -7.732 1.00 0.00 H new ATOM 896 N GLU A 58 5.154 -4.883 -7.353 1.00 0.00 N ATOM 897 CA GLU A 58 5.445 -4.634 -8.760 1.00 0.00 C ATOM 898 C GLU A 58 6.296 -3.378 -8.926 1.00 0.00 C ATOM 899 O GLU A 58 7.341 -3.405 -9.576 1.00 0.00 O ATOM 900 CB GLU A 58 4.145 -4.492 -9.555 1.00 0.00 C ATOM 901 CG GLU A 58 4.356 -4.039 -10.990 1.00 0.00 C ATOM 902 CD GLU A 58 3.118 -3.397 -11.587 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.273 -2.905 -10.810 1.00 0.00 O ATOM 904 OE2 GLU A 58 2.995 -3.387 -12.829 1.00 0.00 O ATOM 0 H GLU A 58 4.171 -5.065 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 58 6.007 -5.485 -9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.624 -5.450 -9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.496 -3.778 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.182 -3.329 -11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.646 -4.896 -11.599 1.00 0.00 H new ATOM 911 N VAL A 59 5.839 -2.279 -8.335 1.00 0.00 N ATOM 912 CA VAL A 59 6.558 -1.013 -8.416 1.00 0.00 C ATOM 913 C VAL A 59 7.933 -1.118 -7.766 1.00 0.00 C ATOM 914 O VAL A 59 8.959 -0.964 -8.430 1.00 0.00 O ATOM 915 CB VAL A 59 5.769 0.125 -7.740 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.562 1.422 -7.779 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.412 0.300 -8.406 1.00 0.00 C ATOM 0 H VAL A 59 4.975 -2.240 -7.795 1.00 0.00 H new ATOM 0 HA VAL A 59 6.677 -0.785 -9.475 1.00 0.00 H new ATOM 0 HB VAL A 59 5.605 -0.141 -6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.989 2.214 -7.297 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.507 1.287 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.760 1.697 -8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.868 1.108 -7.916 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.552 0.543 -9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.843 -0.625 -8.320 1.00 0.00 H new ATOM 927 N LEU A 60 7.947 -1.382 -6.464 1.00 0.00 N ATOM 928 CA LEU A 60 9.197 -1.509 -5.722 1.00 0.00 C ATOM 929 C LEU A 60 10.134 -2.502 -6.402 1.00 0.00 C ATOM 930 O LEU A 60 11.198 -2.129 -6.895 1.00 0.00 O ATOM 931 CB LEU A 60 8.917 -1.955 -4.286 1.00 0.00 C ATOM 932 CG LEU A 60 8.038 -1.022 -3.453 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.529 -1.736 -2.211 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.806 0.235 -3.070 1.00 0.00 C ATOM 0 H LEU A 60 7.107 -1.512 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 60 9.682 -0.533 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.443 -2.936 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.871 -2.078 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 60 7.179 -0.729 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.905 -1.056 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.941 -2.605 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.375 -2.059 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.164 0.887 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.684 -0.039 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.121 0.758 -3.973 1.00 0.00 H new ATOM 946 N SER A 61 9.730 -3.768 -6.426 1.00 0.00 N ATOM 947 CA SER A 61 10.535 -4.816 -7.043 1.00 0.00 C ATOM 948 C SER A 61 11.261 -4.287 -8.277 1.00 0.00 C ATOM 949 O SER A 61 12.479 -4.415 -8.396 1.00 0.00 O ATOM 950 CB SER A 61 9.654 -6.006 -7.427 1.00 0.00 C ATOM 951 OG SER A 61 8.899 -5.727 -8.593 1.00 0.00 O ATOM 0 H SER A 61 8.850 -4.093 -6.025 1.00 0.00 H new ATOM 0 HA SER A 61 11.279 -5.144 -6.317 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.277 -6.884 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.981 -6.245 -6.603 1.00 0.00 H new ATOM 0 HG SER A 61 8.084 -5.241 -8.347 1.00 0.00 H new ATOM 957 N ASP A 62 10.503 -3.694 -9.192 1.00 0.00 N ATOM 958 CA ASP A 62 11.072 -3.144 -10.417 1.00 0.00 C ATOM 959 C ASP A 62 11.864 -1.874 -10.126 1.00 0.00 C ATOM 960 O ASP A 62 11.290 -0.829 -9.822 1.00 0.00 O ATOM 961 CB ASP A 62 9.966 -2.849 -11.431 1.00 0.00 C ATOM 962 CG ASP A 62 10.447 -2.969 -12.864 1.00 0.00 C ATOM 963 OD1 ASP A 62 11.412 -3.723 -13.105 1.00 0.00 O ATOM 964 OD2 ASP A 62 9.857 -2.309 -13.745 1.00 0.00 O ATOM 0 H ASP A 62 9.493 -3.582 -9.109 1.00 0.00 H new ATOM 0 HA ASP A 62 11.751 -3.886 -10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.137 -3.538 -11.270 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.582 -1.843 -11.263 1.00 0.00 H new ATOM 969 N GLU A 63 13.187 -1.972 -10.219 1.00 0.00 N ATOM 970 CA GLU A 63 14.057 -0.831 -9.963 1.00 0.00 C ATOM 971 C GLU A 63 13.527 0.423 -10.652 1.00 0.00 C ATOM 972 O GLU A 63 13.551 1.515 -10.083 1.00 0.00 O ATOM 973 CB GLU A 63 15.479 -1.128 -10.445 1.00 0.00 C ATOM 974 CG GLU A 63 15.563 -1.463 -11.925 1.00 0.00 C ATOM 975 CD GLU A 63 16.986 -1.443 -12.448 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.725 -2.418 -12.197 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.361 -0.451 -13.108 1.00 0.00 O ATOM 0 H GLU A 63 13.679 -2.830 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 63 14.074 -0.654 -8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.111 -0.264 -10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.882 -1.961 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.131 -2.449 -12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.962 -0.750 -12.490 1.00 0.00 H new ATOM 984 N VAL A 64 13.048 0.259 -11.881 1.00 0.00 N ATOM 985 CA VAL A 64 12.511 1.376 -12.648 1.00 0.00 C ATOM 986 C VAL A 64 11.295 1.983 -11.957 1.00 0.00 C ATOM 987 O VAL A 64 11.327 3.132 -11.515 1.00 0.00 O ATOM 988 CB VAL A 64 12.115 0.941 -14.072 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.488 2.101 -14.830 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.323 0.396 -14.818 1.00 0.00 C ATOM 0 H VAL A 64 13.021 -0.637 -12.367 1.00 0.00 H new ATOM 0 HA VAL A 64 13.301 2.125 -12.712 1.00 0.00 H new ATOM 0 HB VAL A 64 11.374 0.145 -13.997 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.215 1.775 -15.834 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.596 2.440 -14.303 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.203 2.921 -14.897 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.025 0.094 -15.822 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.089 1.169 -14.884 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.723 -0.466 -14.283 1.00 0.00 H new ATOM 1000 N LYS A 65 10.223 1.204 -11.867 1.00 0.00 N ATOM 1001 CA LYS A 65 8.995 1.662 -11.228 1.00 0.00 C ATOM 1002 C LYS A 65 9.284 2.247 -9.849 1.00 0.00 C ATOM 1003 O LYS A 65 8.696 3.254 -9.456 1.00 0.00 O ATOM 1004 CB LYS A 65 7.998 0.507 -11.105 1.00 0.00 C ATOM 1005 CG LYS A 65 7.612 -0.108 -12.438 1.00 0.00 C ATOM 1006 CD LYS A 65 6.978 -1.477 -12.258 1.00 0.00 C ATOM 1007 CE LYS A 65 6.116 -1.854 -13.453 1.00 0.00 C ATOM 1008 NZ LYS A 65 4.832 -1.100 -13.472 1.00 0.00 N ATOM 0 H LYS A 65 10.180 0.251 -12.229 1.00 0.00 H new ATOM 0 HA LYS A 65 8.561 2.444 -11.851 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.428 -0.266 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.098 0.867 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.915 0.551 -12.956 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.496 -0.196 -13.069 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.759 -2.225 -12.121 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.370 -1.481 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.666 -1.658 -14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.908 -2.924 -13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.040 -1.759 -13.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.834 -0.391 -12.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.723 -0.623 -14.390 1.00 0.00 H new ATOM 1022 N ARG A 66 10.195 1.610 -9.121 1.00 0.00 N ATOM 1023 CA ARG A 66 10.563 2.068 -7.786 1.00 0.00 C ATOM 1024 C ARG A 66 11.096 3.497 -7.829 1.00 0.00 C ATOM 1025 O ARG A 66 10.508 4.408 -7.246 1.00 0.00 O ATOM 1026 CB ARG A 66 11.614 1.139 -7.176 1.00 0.00 C ATOM 1027 CG ARG A 66 11.829 1.357 -5.688 1.00 0.00 C ATOM 1028 CD ARG A 66 13.016 0.557 -5.174 1.00 0.00 C ATOM 1029 NE ARG A 66 13.088 0.560 -3.715 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.136 0.116 -3.030 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.194 -0.364 -3.668 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.126 0.151 -1.703 1.00 0.00 N ATOM 0 H ARG A 66 10.692 0.776 -9.433 1.00 0.00 H new ATOM 0 HA ARG A 66 9.668 2.051 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.313 0.105 -7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.561 1.284 -7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.992 2.417 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.930 1.068 -5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.943 -0.470 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.937 0.972 -5.583 1.00 0.00 H new ATOM 0 HE ARG A 66 12.290 0.923 -3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.205 -0.393 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.997 -0.704 -3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.313 0.519 -1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.931 -0.190 -1.178 1.00 0.00 H new ATOM 1046 N LYS A 67 12.212 3.686 -8.524 1.00 0.00 N ATOM 1047 CA LYS A 67 12.825 5.003 -8.645 1.00 0.00 C ATOM 1048 C LYS A 67 11.771 6.070 -8.925 1.00 0.00 C ATOM 1049 O LYS A 67 11.784 7.141 -8.318 1.00 0.00 O ATOM 1050 CB LYS A 67 13.872 5.001 -9.761 1.00 0.00 C ATOM 1051 CG LYS A 67 14.629 6.312 -9.889 1.00 0.00 C ATOM 1052 CD LYS A 67 15.104 6.545 -11.313 1.00 0.00 C ATOM 1053 CE LYS A 67 16.175 7.624 -11.374 1.00 0.00 C ATOM 1054 NZ LYS A 67 15.622 8.972 -11.068 1.00 0.00 N ATOM 0 H LYS A 67 12.711 2.943 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 67 13.312 5.237 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.584 4.197 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.380 4.781 -10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.986 7.136 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.486 6.306 -9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.499 5.615 -11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.258 6.834 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.969 7.388 -10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.625 7.633 -12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.383 9.679 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.882 9.209 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.215 8.971 -10.111 1.00 0.00 H new ATOM 1068 N GLN A 68 10.861 5.769 -9.845 1.00 0.00 N ATOM 1069 CA GLN A 68 9.800 6.703 -10.203 1.00 0.00 C ATOM 1070 C GLN A 68 8.910 7.003 -9.002 1.00 0.00 C ATOM 1071 O GLN A 68 8.387 8.109 -8.864 1.00 0.00 O ATOM 1072 CB GLN A 68 8.958 6.137 -11.348 1.00 0.00 C ATOM 1073 CG GLN A 68 9.744 5.919 -12.631 1.00 0.00 C ATOM 1074 CD GLN A 68 8.936 5.204 -13.696 1.00 0.00 C ATOM 1075 OE1 GLN A 68 7.727 5.016 -13.553 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.601 4.800 -14.772 1.00 0.00 N ATOM 0 H GLN A 68 10.837 4.886 -10.356 1.00 0.00 H new ATOM 0 HA GLN A 68 10.265 7.634 -10.529 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.522 5.189 -11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.130 6.817 -11.550 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.075 6.883 -13.018 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.640 5.339 -12.410 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.603 4.977 -14.849 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.110 4.313 -15.522 1.00 0.00 H new ATOM 1085 N TYR A 69 8.741 6.010 -8.135 1.00 0.00 N ATOM 1086 CA TYR A 69 7.911 6.166 -6.947 1.00 0.00 C ATOM 1087 C TYR A 69 8.677 6.882 -5.838 1.00 0.00 C ATOM 1088 O TYR A 69 8.085 7.549 -4.990 1.00 0.00 O ATOM 1089 CB TYR A 69 7.431 4.801 -6.451 1.00 0.00 C ATOM 1090 CG TYR A 69 7.079 4.781 -4.980 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.126 5.648 -4.462 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.699 3.892 -4.110 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.802 5.633 -3.119 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.379 3.869 -2.766 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.431 4.742 -2.276 1.00 0.00 C ATOM 1096 OH TYR A 69 6.110 4.723 -0.938 1.00 0.00 O ATOM 0 H TYR A 69 9.168 5.089 -8.233 1.00 0.00 H new ATOM 0 HA TYR A 69 7.046 6.772 -7.216 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.557 4.500 -7.029 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.209 4.061 -6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.630 6.346 -5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.443 3.208 -4.491 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.060 6.316 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.869 3.171 -2.103 1.00 0.00 H new ATOM 0 HH TYR A 69 6.793 4.222 -0.445 1.00 0.00 H new ATOM 1106 N ASP A 70 9.998 6.738 -5.853 1.00 0.00 N ATOM 1107 CA ASP A 70 10.847 7.371 -4.850 1.00 0.00 C ATOM 1108 C ASP A 70 11.017 8.859 -5.144 1.00 0.00 C ATOM 1109 O ASP A 70 11.285 9.653 -4.243 1.00 0.00 O ATOM 1110 CB ASP A 70 12.215 6.688 -4.804 1.00 0.00 C ATOM 1111 CG ASP A 70 12.219 5.462 -3.913 1.00 0.00 C ATOM 1112 OD1 ASP A 70 11.601 4.448 -4.297 1.00 0.00 O ATOM 1113 OD2 ASP A 70 12.841 5.517 -2.831 1.00 0.00 O ATOM 0 H ASP A 70 10.504 6.189 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 70 10.363 7.263 -3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.509 6.401 -5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.960 7.397 -4.445 1.00 0.00 H new