USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 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 71 THR OG1 : rot -164:sc= 0.684 USER MOD Set 1.2: A 74 HIS : no HE2:sc= 0.381 K(o=1.1,f=-5.1!) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0.531 USER MOD Set 2.2: A 57 GLN : amide:sc= 0.221 K(o=0.75,f=-0.15) USER MOD Single : A 8 ASN : amide:sc= 0.514 K(o=0.51,f=-1.3) USER MOD Single : A 9 GLN : amide:sc= 0.785 K(o=0.78,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 15 ASN : amide:sc= 0.499 K(o=0.5,f=-0.44) USER MOD Single : A 20 THR OG1 : rot 122:sc= 1 USER MOD Single : A 21 ASN : amide:sc= 0.539 K(o=0.54,f=-4.9!) USER MOD Single : A 23 MET CE :methyl -168:sc= -0.0116 (180deg=-0.212) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 92:sc= 1.3 USER MOD Single : A 27 MET CE :methyl 172:sc=-0.000425 (180deg=-0.0847) USER MOD Single : A 30 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.6) USER MOD Single : A 31 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -133:sc= 1.21 (180deg=0.637) USER MOD Single : A 45 HIS : no HE2:sc= 0.678 K(o=0.68,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.0127 USER MOD Single : A 58 SER OG : rot 135:sc= 1.06 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 1.18 (180deg=1.04) USER MOD Single : A 66 GLN : amide:sc= 0.296 X(o=0.3,f=-0.19) USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 1.22 (180deg=0.696) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -179:sc= -0.298 (180deg=-0.298) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 40:sc= 0.98 USER MOD ----------------------------------------------------------------- ATOM 90 N PRO A 7 11.935 6.291 9.142 1.00 0.00 N ATOM 91 CA PRO A 7 13.017 6.853 8.342 1.00 0.00 C ATOM 92 C PRO A 7 14.350 6.107 8.466 1.00 0.00 C ATOM 93 O PRO A 7 14.751 5.700 9.559 1.00 0.00 O ATOM 94 CB PRO A 7 13.141 8.315 8.775 1.00 0.00 C ATOM 95 CG PRO A 7 11.717 8.664 9.200 1.00 0.00 C ATOM 96 CD PRO A 7 11.214 7.360 9.821 1.00 0.00 C ATOM 0 HA PRO A 7 12.775 6.756 7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.849 8.435 9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.487 8.950 7.960 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.699 9.485 9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.106 8.969 8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.404 7.339 10.894 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.138 7.253 9.686 1.00 0.00 H new ATOM 104 N ASN A 8 15.058 5.984 7.340 1.00 0.00 N ATOM 105 CA ASN A 8 16.376 5.366 7.225 1.00 0.00 C ATOM 106 C ASN A 8 17.139 6.103 6.127 1.00 0.00 C ATOM 107 O ASN A 8 16.529 6.604 5.183 1.00 0.00 O ATOM 108 CB ASN A 8 16.231 3.877 6.869 1.00 0.00 C ATOM 109 CG ASN A 8 17.581 3.224 6.586 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.578 3.499 7.244 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.656 2.400 5.558 1.00 0.00 N ATOM 0 H ASN A 8 14.710 6.329 6.445 1.00 0.00 H new ATOM 0 HA ASN A 8 16.915 5.434 8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.740 3.354 7.690 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.588 3.774 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.551 1.983 5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.819 2.180 5.019 1.00 0.00 H new ATOM 118 N GLN A 9 18.468 6.168 6.227 1.00 0.00 N ATOM 119 CA GLN A 9 19.341 6.900 5.309 1.00 0.00 C ATOM 120 C GLN A 9 19.522 6.197 3.951 1.00 0.00 C ATOM 121 O GLN A 9 20.362 6.624 3.159 1.00 0.00 O ATOM 122 CB GLN A 9 20.685 7.193 6.000 1.00 0.00 C ATOM 123 CG GLN A 9 21.578 5.951 6.154 1.00 0.00 C ATOM 124 CD GLN A 9 22.872 6.255 6.900 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.109 5.716 7.979 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.732 7.098 6.351 1.00 0.00 N ATOM 0 H GLN A 9 18.982 5.698 6.972 1.00 0.00 H new ATOM 0 HA GLN A 9 18.855 7.846 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.222 7.948 5.427 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.493 7.617 6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.028 5.175 6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.815 5.553 5.167 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.517 7.535 5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.610 7.311 6.824 1.00 0.00 H new ATOM 135 N ILE A 10 18.791 5.115 3.674 1.00 0.00 N ATOM 136 CA ILE A 10 18.847 4.387 2.413 1.00 0.00 C ATOM 137 C ILE A 10 17.398 4.184 1.988 1.00 0.00 C ATOM 138 O ILE A 10 16.527 3.894 2.816 1.00 0.00 O ATOM 139 CB ILE A 10 19.622 3.048 2.533 1.00 0.00 C ATOM 140 CG1 ILE A 10 20.976 3.222 3.260 1.00 0.00 C ATOM 141 CG2 ILE A 10 19.839 2.417 1.141 1.00 0.00 C ATOM 142 CD1 ILE A 10 21.840 1.956 3.304 1.00 0.00 C ATOM 0 H ILE A 10 18.129 4.715 4.339 1.00 0.00 H new ATOM 0 HA ILE A 10 19.402 4.949 1.662 1.00 0.00 H new ATOM 0 HB ILE A 10 19.010 2.377 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.539 4.015 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.786 3.553 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.384 1.479 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 10 18.873 2.224 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.413 3.102 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.770 2.168 3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.300 1.165 3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.065 1.634 2.287 1.00 0.00 H new ATOM 154 N LEU A 11 17.152 4.323 0.692 1.00 0.00 N ATOM 155 CA LEU A 11 15.847 4.247 0.067 1.00 0.00 C ATOM 156 C LEU A 11 15.927 3.182 -1.013 1.00 0.00 C ATOM 157 O LEU A 11 16.952 3.059 -1.688 1.00 0.00 O ATOM 158 CB LEU A 11 15.479 5.603 -0.569 1.00 0.00 C ATOM 159 CG LEU A 11 15.455 6.807 0.392 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.171 8.093 -0.390 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.414 6.613 1.498 1.00 0.00 C ATOM 0 H LEU A 11 17.897 4.500 0.019 1.00 0.00 H new ATOM 0 HA LEU A 11 15.084 4.001 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.190 5.814 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.497 5.512 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 11 16.433 6.886 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.155 8.940 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.951 8.245 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.204 8.011 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.421 7.479 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.425 6.505 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.654 5.717 2.070 1.00 0.00 H new ATOM 173 N PHE A 12 14.833 2.452 -1.193 1.00 0.00 N ATOM 174 CA PHE A 12 14.624 1.535 -2.297 1.00 0.00 C ATOM 175 C PHE A 12 13.517 2.150 -3.135 1.00 0.00 C ATOM 176 O PHE A 12 12.537 2.672 -2.595 1.00 0.00 O ATOM 177 CB PHE A 12 14.217 0.150 -1.787 1.00 0.00 C ATOM 178 CG PHE A 12 13.875 -0.828 -2.900 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.855 -1.194 -3.840 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.578 -1.362 -3.012 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.564 -2.126 -4.849 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.291 -2.312 -4.010 1.00 0.00 C ATOM 183 CZ PHE A 12 13.283 -2.698 -4.926 1.00 0.00 C ATOM 0 H PHE A 12 14.042 2.486 -0.550 1.00 0.00 H new ATOM 0 HA PHE A 12 15.535 1.393 -2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.030 -0.262 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.356 0.253 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.840 -0.754 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.802 -1.043 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.324 -2.403 -5.565 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.304 -2.746 -4.072 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.062 -3.432 -5.687 1.00 0.00 H new ATOM 193 N LEU A 13 13.688 2.117 -4.447 1.00 0.00 N ATOM 194 CA LEU A 13 12.859 2.826 -5.397 1.00 0.00 C ATOM 195 C LEU A 13 12.378 1.831 -6.436 1.00 0.00 C ATOM 196 O LEU A 13 13.119 0.923 -6.810 1.00 0.00 O ATOM 197 CB LEU A 13 13.672 3.923 -6.097 1.00 0.00 C ATOM 198 CG LEU A 13 13.691 5.278 -5.379 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.534 5.270 -4.099 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.251 6.322 -6.346 1.00 0.00 C ATOM 0 H LEU A 13 14.432 1.578 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 13 12.018 3.287 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.699 3.576 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.271 4.067 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 13 12.669 5.511 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.506 6.258 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.132 4.534 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.565 5.012 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.274 7.296 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.262 6.040 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.617 6.376 -7.231 1.00 0.00 H new ATOM 212 N THR A 14 11.170 2.051 -6.937 1.00 0.00 N ATOM 213 CA THR A 14 10.479 1.194 -7.889 1.00 0.00 C ATOM 214 C THR A 14 9.686 2.056 -8.886 1.00 0.00 C ATOM 215 O THR A 14 9.664 3.289 -8.786 1.00 0.00 O ATOM 216 CB THR A 14 9.589 0.185 -7.125 1.00 0.00 C ATOM 217 OG1 THR A 14 8.701 0.830 -6.234 1.00 0.00 O ATOM 218 CG2 THR A 14 10.390 -0.807 -6.280 1.00 0.00 C ATOM 0 H THR A 14 10.620 2.870 -6.678 1.00 0.00 H new ATOM 0 HA THR A 14 11.196 0.615 -8.471 1.00 0.00 H new ATOM 0 HB THR A 14 9.050 -0.341 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.156 0.159 -5.773 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.706 -1.486 -5.771 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.056 -1.379 -6.925 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.979 -0.263 -5.541 1.00 0.00 H new ATOM 226 N ASN A 15 9.023 1.402 -9.850 1.00 0.00 N ATOM 227 CA ASN A 15 8.217 2.020 -10.908 1.00 0.00 C ATOM 228 C ASN A 15 9.006 3.042 -11.747 1.00 0.00 C ATOM 229 O ASN A 15 8.450 4.010 -12.270 1.00 0.00 O ATOM 230 CB ASN A 15 6.921 2.596 -10.309 1.00 0.00 C ATOM 231 CG ASN A 15 5.870 2.914 -11.368 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.591 2.109 -12.253 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.231 4.068 -11.275 1.00 0.00 N ATOM 0 H ASN A 15 9.035 0.384 -9.915 1.00 0.00 H new ATOM 0 HA ASN A 15 7.940 1.243 -11.621 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.507 1.883 -9.596 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.155 3.503 -9.752 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.496 4.299 -11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.473 4.727 -10.535 1.00 0.00 H new ATOM 240 N LEU A 16 10.323 2.848 -11.839 1.00 0.00 N ATOM 241 CA LEU A 16 11.241 3.712 -12.576 1.00 0.00 C ATOM 242 C LEU A 16 11.166 3.370 -14.079 1.00 0.00 C ATOM 243 O LEU A 16 10.576 2.340 -14.428 1.00 0.00 O ATOM 244 CB LEU A 16 12.673 3.529 -12.022 1.00 0.00 C ATOM 245 CG LEU A 16 12.815 3.528 -10.489 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.276 3.309 -10.108 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.308 4.831 -9.860 1.00 0.00 C ATOM 0 H LEU A 16 10.792 2.062 -11.389 1.00 0.00 H new ATOM 0 HA LEU A 16 10.962 4.758 -12.451 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.070 2.588 -12.403 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.300 4.325 -12.423 1.00 0.00 H new ATOM 0 HG LEU A 16 12.200 2.715 -10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.373 3.309 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.615 2.351 -10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.885 4.110 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.428 4.784 -8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.881 5.671 -10.252 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.254 4.966 -10.102 1.00 0.00 H new ATOM 259 N PRO A 17 11.734 4.200 -14.975 1.00 0.00 N ATOM 260 CA PRO A 17 11.872 3.879 -16.390 1.00 0.00 C ATOM 261 C PRO A 17 12.473 2.487 -16.640 1.00 0.00 C ATOM 262 O PRO A 17 13.217 1.940 -15.825 1.00 0.00 O ATOM 263 CB PRO A 17 12.769 4.964 -16.988 1.00 0.00 C ATOM 264 CG PRO A 17 12.571 6.155 -16.063 1.00 0.00 C ATOM 265 CD PRO A 17 12.243 5.536 -14.709 1.00 0.00 C ATOM 0 HA PRO A 17 10.887 3.852 -16.856 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.812 4.649 -17.016 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.480 5.201 -18.012 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.469 6.771 -16.011 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.763 6.798 -16.412 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.130 5.494 -14.077 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.502 6.134 -14.179 1.00 0.00 H new ATOM 273 N GLU A 18 12.253 1.951 -17.841 1.00 0.00 N ATOM 274 CA GLU A 18 12.942 0.743 -18.302 1.00 0.00 C ATOM 275 C GLU A 18 14.384 1.069 -18.735 1.00 0.00 C ATOM 276 O GLU A 18 15.100 0.190 -19.217 1.00 0.00 O ATOM 277 CB GLU A 18 12.148 0.092 -19.449 1.00 0.00 C ATOM 278 CG GLU A 18 10.767 -0.407 -18.996 1.00 0.00 C ATOM 279 CD GLU A 18 10.039 -1.151 -20.130 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.338 -0.507 -20.943 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.144 -2.397 -20.212 1.00 0.00 O ATOM 0 H GLU A 18 11.596 2.338 -18.519 1.00 0.00 H new ATOM 0 HA GLU A 18 13.000 0.032 -17.478 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.024 0.814 -20.256 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.719 -0.744 -19.854 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.881 -1.070 -18.138 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.163 0.438 -18.667 1.00 0.00 H new ATOM 288 N GLU A 19 14.816 2.326 -18.574 1.00 0.00 N ATOM 289 CA GLU A 19 16.048 2.876 -19.105 1.00 0.00 C ATOM 290 C GLU A 19 16.772 3.777 -18.084 1.00 0.00 C ATOM 291 O GLU A 19 17.687 4.516 -18.457 1.00 0.00 O ATOM 292 CB GLU A 19 15.752 3.652 -20.408 1.00 0.00 C ATOM 293 CG GLU A 19 14.891 2.893 -21.430 1.00 0.00 C ATOM 294 CD GLU A 19 14.807 3.650 -22.767 1.00 0.00 C ATOM 295 OE1 GLU A 19 13.905 4.501 -22.939 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.632 3.390 -23.674 1.00 0.00 O ATOM 0 H GLU A 19 14.282 3.013 -18.042 1.00 0.00 H new ATOM 0 HA GLU A 19 16.720 2.045 -19.322 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.249 4.585 -20.152 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.699 3.919 -20.878 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.312 1.902 -21.597 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.888 2.750 -21.028 1.00 0.00 H new ATOM 303 N THR A 20 16.359 3.764 -16.811 1.00 0.00 N ATOM 304 CA THR A 20 16.992 4.528 -15.741 1.00 0.00 C ATOM 305 C THR A 20 18.473 4.152 -15.674 1.00 0.00 C ATOM 306 O THR A 20 18.832 2.975 -15.787 1.00 0.00 O ATOM 307 CB THR A 20 16.305 4.255 -14.387 1.00 0.00 C ATOM 308 OG1 THR A 20 14.965 3.868 -14.562 1.00 0.00 O ATOM 309 CG2 THR A 20 16.323 5.491 -13.482 1.00 0.00 C ATOM 0 H THR A 20 15.562 3.212 -16.495 1.00 0.00 H new ATOM 0 HA THR A 20 16.892 5.593 -15.953 1.00 0.00 H new ATOM 0 HB THR A 20 16.870 3.449 -13.919 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.823 2.988 -14.155 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.830 5.258 -12.538 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.355 5.786 -13.289 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.797 6.310 -13.974 1.00 0.00 H new ATOM 317 N ASN A 21 19.327 5.145 -15.443 1.00 0.00 N ATOM 318 CA ASN A 21 20.739 4.943 -15.160 1.00 0.00 C ATOM 319 C ASN A 21 21.120 5.883 -14.018 1.00 0.00 C ATOM 320 O ASN A 21 20.354 6.794 -13.688 1.00 0.00 O ATOM 321 CB ASN A 21 21.606 5.139 -16.416 1.00 0.00 C ATOM 322 CG ASN A 21 21.899 6.602 -16.713 1.00 0.00 C ATOM 323 OD1 ASN A 21 22.856 7.160 -16.192 1.00 0.00 O ATOM 324 ND2 ASN A 21 21.084 7.249 -17.529 1.00 0.00 N ATOM 0 H ASN A 21 19.050 6.127 -15.448 1.00 0.00 H new ATOM 0 HA ASN A 21 20.924 3.914 -14.853 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.547 4.604 -16.288 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.100 4.694 -17.273 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.246 8.234 -17.736 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.293 6.763 -17.951 1.00 0.00 H new ATOM 331 N GLU A 22 22.292 5.663 -13.421 1.00 0.00 N ATOM 332 CA GLU A 22 22.766 6.351 -12.218 1.00 0.00 C ATOM 333 C GLU A 22 22.657 7.876 -12.334 1.00 0.00 C ATOM 334 O GLU A 22 22.322 8.549 -11.356 1.00 0.00 O ATOM 335 CB GLU A 22 24.214 5.898 -11.962 1.00 0.00 C ATOM 336 CG GLU A 22 24.774 6.359 -10.611 1.00 0.00 C ATOM 337 CD GLU A 22 26.241 5.922 -10.435 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.505 4.723 -10.191 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.151 6.777 -10.539 1.00 0.00 O ATOM 0 H GLU A 22 22.961 4.978 -13.773 1.00 0.00 H new ATOM 0 HA GLU A 22 22.133 6.084 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.259 4.810 -12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.851 6.281 -12.759 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.704 7.444 -10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.170 5.945 -9.804 1.00 0.00 H new ATOM 346 N MET A 23 22.896 8.413 -13.533 1.00 0.00 N ATOM 347 CA MET A 23 22.892 9.848 -13.793 1.00 0.00 C ATOM 348 C MET A 23 21.529 10.454 -13.478 1.00 0.00 C ATOM 349 O MET A 23 21.479 11.505 -12.845 1.00 0.00 O ATOM 350 CB MET A 23 23.321 10.114 -15.249 1.00 0.00 C ATOM 351 CG MET A 23 23.587 11.590 -15.589 1.00 0.00 C ATOM 352 SD MET A 23 22.153 12.700 -15.767 1.00 0.00 S ATOM 353 CE MET A 23 21.268 11.939 -17.156 1.00 0.00 C ATOM 0 H MET A 23 23.100 7.852 -14.360 1.00 0.00 H new ATOM 0 HA MET A 23 23.612 10.334 -13.135 1.00 0.00 H new ATOM 0 HB2 MET A 23 24.225 9.541 -15.456 1.00 0.00 H new ATOM 0 HB3 MET A 23 22.545 9.738 -15.915 1.00 0.00 H new ATOM 0 HG2 MET A 23 24.232 12.000 -14.812 1.00 0.00 H new ATOM 0 HG3 MET A 23 24.151 11.621 -16.521 1.00 0.00 H new ATOM 0 HE1 MET A 23 20.495 12.620 -17.512 1.00 0.00 H new ATOM 0 HE2 MET A 23 21.969 11.731 -17.964 1.00 0.00 H new ATOM 0 HE3 MET A 23 20.807 11.008 -16.827 1.00 0.00 H new ATOM 363 N MET A 24 20.433 9.786 -13.861 1.00 0.00 N ATOM 364 CA MET A 24 19.082 10.321 -13.695 1.00 0.00 C ATOM 365 C MET A 24 18.817 10.597 -12.221 1.00 0.00 C ATOM 366 O MET A 24 18.512 11.721 -11.816 1.00 0.00 O ATOM 367 CB MET A 24 18.015 9.351 -14.244 1.00 0.00 C ATOM 368 CG MET A 24 18.055 9.228 -15.764 1.00 0.00 C ATOM 369 SD MET A 24 16.687 8.246 -16.435 1.00 0.00 S ATOM 370 CE MET A 24 17.095 8.297 -18.201 1.00 0.00 C ATOM 0 H MET A 24 20.461 8.862 -14.293 1.00 0.00 H new ATOM 0 HA MET A 24 19.016 11.249 -14.264 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.163 8.366 -13.800 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.027 9.694 -13.938 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.029 10.225 -16.204 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.000 8.774 -16.061 1.00 0.00 H new ATOM 0 HE1 MET A 24 16.348 7.737 -18.763 1.00 0.00 H new ATOM 0 HE2 MET A 24 17.105 9.332 -18.542 1.00 0.00 H new ATOM 0 HE3 MET A 24 18.078 7.853 -18.360 1.00 0.00 H new ATOM 380 N LEU A 25 18.964 9.557 -11.404 1.00 0.00 N ATOM 381 CA LEU A 25 18.607 9.662 -10.001 1.00 0.00 C ATOM 382 C LEU A 25 19.624 10.526 -9.265 1.00 0.00 C ATOM 383 O LEU A 25 19.235 11.228 -8.337 1.00 0.00 O ATOM 384 CB LEU A 25 18.503 8.285 -9.337 1.00 0.00 C ATOM 385 CG LEU A 25 17.491 7.326 -9.984 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.327 6.107 -9.075 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.133 7.994 -10.242 1.00 0.00 C ATOM 0 H LEU A 25 19.323 8.646 -11.688 1.00 0.00 H new ATOM 0 HA LEU A 25 17.625 10.131 -9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.487 7.816 -9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.232 8.423 -8.290 1.00 0.00 H new ATOM 0 HG LEU A 25 17.875 7.025 -10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.611 5.415 -9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.289 5.608 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.963 6.427 -8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.455 7.274 -10.700 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.712 8.340 -9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.267 8.843 -10.912 1.00 0.00 H new ATOM 399 N SER A 26 20.896 10.526 -9.679 1.00 0.00 N ATOM 400 CA SER A 26 21.882 11.410 -9.078 1.00 0.00 C ATOM 401 C SER A 26 21.488 12.860 -9.350 1.00 0.00 C ATOM 402 O SER A 26 21.386 13.646 -8.417 1.00 0.00 O ATOM 403 CB SER A 26 23.288 11.099 -9.601 1.00 0.00 C ATOM 404 OG SER A 26 23.616 9.747 -9.348 1.00 0.00 O ATOM 0 H SER A 26 21.258 9.927 -10.421 1.00 0.00 H new ATOM 0 HA SER A 26 21.903 11.250 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.338 11.299 -10.671 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.015 11.753 -9.120 1.00 0.00 H new ATOM 0 HG SER A 26 23.363 9.199 -10.120 1.00 0.00 H new ATOM 410 N MET A 27 21.176 13.202 -10.599 1.00 0.00 N ATOM 411 CA MET A 27 20.755 14.539 -10.994 1.00 0.00 C ATOM 412 C MET A 27 19.494 14.970 -10.234 1.00 0.00 C ATOM 413 O MET A 27 19.355 16.149 -9.907 1.00 0.00 O ATOM 414 CB MET A 27 20.546 14.551 -12.517 1.00 0.00 C ATOM 415 CG MET A 27 20.090 15.913 -13.047 1.00 0.00 C ATOM 416 SD MET A 27 20.026 16.056 -14.858 1.00 0.00 S ATOM 417 CE MET A 27 18.776 14.802 -15.259 1.00 0.00 C ATOM 0 H MET A 27 21.210 12.543 -11.377 1.00 0.00 H new ATOM 0 HA MET A 27 21.526 15.265 -10.736 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.477 14.269 -13.008 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.805 13.797 -12.783 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.099 16.128 -12.646 1.00 0.00 H new ATOM 0 HG3 MET A 27 20.763 16.679 -12.661 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.522 14.867 -16.317 1.00 0.00 H new ATOM 0 HE2 MET A 27 19.173 13.810 -15.041 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.882 14.975 -14.660 1.00 0.00 H new ATOM 427 N LEU A 28 18.575 14.039 -9.947 1.00 0.00 N ATOM 428 CA LEU A 28 17.349 14.365 -9.224 1.00 0.00 C ATOM 429 C LEU A 28 17.612 14.543 -7.730 1.00 0.00 C ATOM 430 O LEU A 28 17.305 15.601 -7.180 1.00 0.00 O ATOM 431 CB LEU A 28 16.256 13.314 -9.487 1.00 0.00 C ATOM 432 CG LEU A 28 15.700 13.354 -10.927 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.733 12.186 -11.147 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.977 14.669 -11.247 1.00 0.00 C ATOM 0 H LEU A 28 18.661 13.056 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 28 16.984 15.320 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.662 12.322 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.437 13.469 -8.785 1.00 0.00 H new ATOM 0 HG LEU A 28 16.556 13.275 -11.597 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.345 12.221 -12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.259 11.244 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.906 12.260 -10.441 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.607 14.641 -12.272 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.139 14.799 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.671 15.502 -11.134 1.00 0.00 H new ATOM 446 N PHE A 29 18.167 13.535 -7.063 1.00 0.00 N ATOM 447 CA PHE A 29 18.288 13.545 -5.607 1.00 0.00 C ATOM 448 C PHE A 29 19.460 14.402 -5.111 1.00 0.00 C ATOM 449 O PHE A 29 19.396 14.901 -3.988 1.00 0.00 O ATOM 450 CB PHE A 29 18.423 12.117 -5.066 1.00 0.00 C ATOM 451 CG PHE A 29 17.145 11.305 -5.020 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.678 10.620 -6.156 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.440 11.198 -3.806 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.512 9.845 -6.076 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.268 10.430 -3.726 1.00 0.00 C ATOM 456 CZ PHE A 29 14.804 9.757 -4.865 1.00 0.00 C ATOM 0 H PHE A 29 18.542 12.698 -7.509 1.00 0.00 H new ATOM 0 HA PHE A 29 17.372 13.997 -5.226 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.148 11.583 -5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.835 12.168 -4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.217 10.691 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.804 11.711 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.157 9.314 -6.947 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.727 10.358 -2.794 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.900 9.169 -4.812 1.00 0.00 H new ATOM 466 N ASN A 30 20.524 14.614 -5.894 1.00 0.00 N ATOM 467 CA ASN A 30 21.697 15.366 -5.426 1.00 0.00 C ATOM 468 C ASN A 30 21.401 16.849 -5.168 1.00 0.00 C ATOM 469 O ASN A 30 22.246 17.550 -4.610 1.00 0.00 O ATOM 470 CB ASN A 30 22.930 15.189 -6.332 1.00 0.00 C ATOM 471 CG ASN A 30 22.981 16.074 -7.584 1.00 0.00 C ATOM 472 OD1 ASN A 30 22.030 16.750 -7.966 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.121 16.099 -8.256 1.00 0.00 N ATOM 0 H ASN A 30 20.598 14.276 -6.854 1.00 0.00 H new ATOM 0 HA ASN A 30 21.946 14.922 -4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.823 15.384 -5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.978 14.147 -6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 30 24.209 16.679 -9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.912 15.538 -7.940 1.00 0.00 H new ATOM 480 N GLN A 31 20.212 17.327 -5.554 1.00 0.00 N ATOM 481 CA GLN A 31 19.718 18.653 -5.228 1.00 0.00 C ATOM 482 C GLN A 31 19.590 18.834 -3.708 1.00 0.00 C ATOM 483 O GLN A 31 19.740 19.955 -3.216 1.00 0.00 O ATOM 484 CB GLN A 31 18.358 18.877 -5.908 1.00 0.00 C ATOM 485 CG GLN A 31 18.443 18.847 -7.443 1.00 0.00 C ATOM 486 CD GLN A 31 17.072 19.076 -8.080 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.755 20.169 -8.545 1.00 0.00 O ATOM 488 NE2 GLN A 31 16.225 18.060 -8.103 1.00 0.00 N ATOM 0 H GLN A 31 19.557 16.782 -6.115 1.00 0.00 H new ATOM 0 HA GLN A 31 20.432 19.391 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.660 18.110 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.953 19.838 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.138 19.613 -7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.842 17.886 -7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.500 17.158 -7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.297 18.179 -8.510 1.00 0.00 H new ATOM 497 N PHE A 32 19.309 17.759 -2.959 1.00 0.00 N ATOM 498 CA PHE A 32 19.143 17.830 -1.511 1.00 0.00 C ATOM 499 C PHE A 32 20.526 17.790 -0.848 1.00 0.00 C ATOM 500 O PHE A 32 21.345 16.947 -1.231 1.00 0.00 O ATOM 501 CB PHE A 32 18.260 16.669 -1.026 1.00 0.00 C ATOM 502 CG PHE A 32 16.938 16.561 -1.772 1.00 0.00 C ATOM 503 CD1 PHE A 32 16.000 17.612 -1.730 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.675 15.435 -2.574 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.830 17.546 -2.509 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.508 15.367 -3.350 1.00 0.00 C ATOM 507 CZ PHE A 32 14.592 16.430 -3.331 1.00 0.00 C ATOM 0 H PHE A 32 19.192 16.821 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 32 18.648 18.762 -1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.809 15.734 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 32 18.059 16.795 0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.180 18.470 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.378 14.615 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.114 18.354 -2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.315 14.498 -3.961 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.706 16.391 -3.947 1.00 0.00 H new ATOM 517 N PRO A 33 20.800 18.623 0.177 1.00 0.00 N ATOM 518 CA PRO A 33 22.114 18.753 0.818 1.00 0.00 C ATOM 519 C PRO A 33 22.467 17.570 1.750 1.00 0.00 C ATOM 520 O PRO A 33 23.181 17.737 2.742 1.00 0.00 O ATOM 521 CB PRO A 33 22.059 20.111 1.537 1.00 0.00 C ATOM 522 CG PRO A 33 20.590 20.242 1.927 1.00 0.00 C ATOM 523 CD PRO A 33 19.874 19.599 0.741 1.00 0.00 C ATOM 0 HA PRO A 33 22.923 18.719 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.710 20.130 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.376 20.925 0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.371 19.726 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.297 21.283 2.062 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.950 19.117 1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.602 20.350 -0.001 1.00 0.00 H new ATOM 531 N GLY A 34 21.974 16.369 1.441 1.00 0.00 N ATOM 532 CA GLY A 34 22.212 15.147 2.198 1.00 0.00 C ATOM 533 C GLY A 34 22.435 13.924 1.319 1.00 0.00 C ATOM 534 O GLY A 34 22.766 12.874 1.864 1.00 0.00 O ATOM 0 H GLY A 34 21.377 16.220 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.083 15.289 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.361 14.963 2.854 1.00 0.00 H new ATOM 538 N PHE A 35 22.264 14.031 -0.003 1.00 0.00 N ATOM 539 CA PHE A 35 22.564 12.978 -0.955 1.00 0.00 C ATOM 540 C PHE A 35 23.977 12.453 -0.738 1.00 0.00 C ATOM 541 O PHE A 35 24.894 13.218 -0.416 1.00 0.00 O ATOM 542 CB PHE A 35 22.438 13.574 -2.357 1.00 0.00 C ATOM 543 CG PHE A 35 22.818 12.647 -3.497 1.00 0.00 C ATOM 544 CD1 PHE A 35 24.143 12.584 -3.972 1.00 0.00 C ATOM 545 CD2 PHE A 35 21.822 11.883 -4.120 1.00 0.00 C ATOM 546 CE1 PHE A 35 24.461 11.754 -5.064 1.00 0.00 C ATOM 547 CE2 PHE A 35 22.126 11.096 -5.240 1.00 0.00 C ATOM 548 CZ PHE A 35 23.448 11.023 -5.708 1.00 0.00 C ATOM 0 H PHE A 35 21.903 14.878 -0.443 1.00 0.00 H new ATOM 0 HA PHE A 35 21.873 12.144 -0.827 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.408 13.899 -2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 35 23.064 14.465 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 35 24.915 13.172 -3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.813 11.900 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 35 25.483 11.679 -5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.344 10.546 -5.742 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.686 10.406 -6.562 1.00 0.00 H new ATOM 558 N LYS A 36 24.155 11.156 -0.976 1.00 0.00 N ATOM 559 CA LYS A 36 25.444 10.498 -0.808 1.00 0.00 C ATOM 560 C LYS A 36 25.761 9.542 -1.956 1.00 0.00 C ATOM 561 O LYS A 36 26.879 9.615 -2.466 1.00 0.00 O ATOM 562 CB LYS A 36 25.499 9.824 0.577 1.00 0.00 C ATOM 563 CG LYS A 36 26.913 9.899 1.174 1.00 0.00 C ATOM 564 CD LYS A 36 27.005 9.367 2.615 1.00 0.00 C ATOM 565 CE LYS A 36 26.622 7.887 2.761 1.00 0.00 C ATOM 566 NZ LYS A 36 27.556 6.977 2.053 1.00 0.00 N ATOM 0 H LYS A 36 23.410 10.534 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 36 26.232 11.250 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.791 10.309 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 36 25.193 8.782 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 36 27.595 9.331 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 36 27.251 10.935 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 36 28.023 9.505 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.355 9.965 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 36 26.599 7.625 3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 36 25.614 7.738 2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.013 6.284 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.163 7.530 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 28.148 6.478 2.748 1.00 0.00 H new ATOM 580 N GLU A 37 24.830 8.687 -2.403 1.00 0.00 N ATOM 581 CA GLU A 37 25.093 7.765 -3.515 1.00 0.00 C ATOM 582 C GLU A 37 23.785 7.266 -4.156 1.00 0.00 C ATOM 583 O GLU A 37 22.717 7.358 -3.552 1.00 0.00 O ATOM 584 CB GLU A 37 25.968 6.590 -3.004 1.00 0.00 C ATOM 585 CG GLU A 37 26.595 5.751 -4.129 1.00 0.00 C ATOM 586 CD GLU A 37 27.851 4.991 -3.669 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.719 3.862 -3.146 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.979 5.510 -3.840 1.00 0.00 O ATOM 0 H GLU A 37 23.891 8.615 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 37 25.636 8.295 -4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.763 6.988 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.358 5.941 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 37 25.858 5.038 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 37 26.854 6.403 -4.963 1.00 0.00 H new ATOM 595 N VAL A 38 23.882 6.693 -5.360 1.00 0.00 N ATOM 596 CA VAL A 38 22.829 5.965 -6.074 1.00 0.00 C ATOM 597 C VAL A 38 23.418 4.607 -6.462 1.00 0.00 C ATOM 598 O VAL A 38 24.598 4.513 -6.810 1.00 0.00 O ATOM 599 CB VAL A 38 22.390 6.765 -7.322 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.525 5.971 -8.316 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.598 8.004 -6.901 1.00 0.00 C ATOM 0 H VAL A 38 24.750 6.727 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 38 21.943 5.828 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 38 23.318 7.026 -7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.263 6.609 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 38 22.083 5.106 -8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.615 5.635 -7.819 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.294 8.560 -7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.713 7.698 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.222 8.638 -6.271 1.00 0.00 H new ATOM 611 N ARG A 39 22.589 3.561 -6.425 1.00 0.00 N ATOM 612 CA ARG A 39 22.956 2.190 -6.765 1.00 0.00 C ATOM 613 C ARG A 39 21.817 1.644 -7.619 1.00 0.00 C ATOM 614 O ARG A 39 20.813 1.147 -7.105 1.00 0.00 O ATOM 615 CB ARG A 39 23.244 1.362 -5.495 1.00 0.00 C ATOM 616 CG ARG A 39 24.396 1.959 -4.668 1.00 0.00 C ATOM 617 CD ARG A 39 24.703 1.168 -3.396 1.00 0.00 C ATOM 618 NE ARG A 39 25.667 1.923 -2.577 1.00 0.00 N ATOM 619 CZ ARG A 39 25.517 2.341 -1.316 1.00 0.00 C ATOM 620 NH1 ARG A 39 24.501 1.952 -0.553 1.00 0.00 N ATOM 621 NH2 ARG A 39 26.413 3.190 -0.842 1.00 0.00 N ATOM 0 H ARG A 39 21.612 3.651 -6.148 1.00 0.00 H new ATOM 0 HA ARG A 39 23.885 2.139 -7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.344 1.314 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.492 0.339 -5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.293 2.002 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.146 2.985 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 39 23.787 0.993 -2.832 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.112 0.190 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 39 26.554 2.154 -3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.800 1.311 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.422 2.294 0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.183 3.502 -1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 39 26.334 3.533 0.115 1.00 0.00 H new ATOM 635 N LEU A 40 21.923 1.861 -8.930 1.00 0.00 N ATOM 636 CA LEU A 40 21.000 1.341 -9.930 1.00 0.00 C ATOM 637 C LEU A 40 21.098 -0.187 -9.968 1.00 0.00 C ATOM 638 O LEU A 40 22.021 -0.790 -9.417 1.00 0.00 O ATOM 639 CB LEU A 40 21.351 1.957 -11.309 1.00 0.00 C ATOM 640 CG LEU A 40 20.189 2.605 -12.083 1.00 0.00 C ATOM 641 CD1 LEU A 40 19.014 1.659 -12.335 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.701 3.897 -11.417 1.00 0.00 C ATOM 0 H LEU A 40 22.675 2.419 -9.333 1.00 0.00 H new ATOM 0 HA LEU A 40 19.975 1.611 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.125 2.710 -11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.783 1.175 -11.933 1.00 0.00 H new ATOM 0 HG LEU A 40 20.608 2.854 -13.058 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.234 2.186 -12.885 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.354 0.803 -12.918 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.615 1.313 -11.382 1.00 0.00 H new ATOM 0 HD21 LEU A 40 18.881 4.319 -11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.355 3.677 -10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.520 4.615 -11.372 1.00 0.00 H new ATOM 654 N VAL A 41 20.182 -0.799 -10.713 1.00 0.00 N ATOM 655 CA VAL A 41 20.199 -2.209 -11.066 1.00 0.00 C ATOM 656 C VAL A 41 20.290 -2.242 -12.595 1.00 0.00 C ATOM 657 O VAL A 41 19.250 -2.268 -13.251 1.00 0.00 O ATOM 658 CB VAL A 41 18.986 -2.939 -10.441 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.102 -4.456 -10.653 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.876 -2.679 -8.926 1.00 0.00 C ATOM 0 H VAL A 41 19.378 -0.305 -11.100 1.00 0.00 H new ATOM 0 HA VAL A 41 21.048 -2.759 -10.661 1.00 0.00 H new ATOM 0 HB VAL A 41 18.098 -2.548 -10.938 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.240 -4.953 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.133 -4.673 -11.721 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.015 -4.820 -10.182 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.011 -3.210 -8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.780 -3.033 -8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.759 -1.610 -8.748 1.00 0.00 H new ATOM 722 N HIS A 45 16.650 -1.699 -14.275 1.00 0.00 N ATOM 723 CA HIS A 45 16.412 -0.258 -14.369 1.00 0.00 C ATOM 724 C HIS A 45 15.126 0.245 -13.693 1.00 0.00 C ATOM 725 O HIS A 45 15.100 1.397 -13.265 1.00 0.00 O ATOM 726 CB HIS A 45 16.430 0.235 -15.824 1.00 0.00 C ATOM 727 CG HIS A 45 17.601 -0.209 -16.662 1.00 0.00 C ATOM 728 ND1 HIS A 45 17.540 -0.620 -17.973 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.917 -0.234 -16.292 1.00 0.00 C ATOM 730 CE1 HIS A 45 18.788 -0.906 -18.378 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.669 -0.692 -17.382 1.00 0.00 N ATOM 0 HA HIS A 45 17.246 0.166 -13.811 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.514 -0.100 -16.311 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.407 1.325 -15.817 1.00 0.00 H new ATOM 0 HD1 HIS A 45 16.695 -0.695 -18.539 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.309 0.050 -15.327 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.049 -1.259 -19.365 1.00 0.00 H new ATOM 739 N ASP A 46 14.077 -0.574 -13.583 1.00 0.00 N ATOM 740 CA ASP A 46 12.763 -0.185 -13.073 1.00 0.00 C ATOM 741 C ASP A 46 12.733 -0.136 -11.544 1.00 0.00 C ATOM 742 O ASP A 46 11.757 0.362 -10.976 1.00 0.00 O ATOM 743 CB ASP A 46 11.665 -1.125 -13.589 1.00 0.00 C ATOM 744 CG ASP A 46 11.678 -2.475 -12.866 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.742 -3.126 -12.856 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.640 -2.924 -12.333 1.00 0.00 O ATOM 0 H ASP A 46 14.122 -1.556 -13.855 1.00 0.00 H new ATOM 0 HA ASP A 46 12.569 0.820 -13.446 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.692 -0.652 -13.457 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.799 -1.286 -14.659 1.00 0.00 H new ATOM 751 N ILE A 47 13.792 -0.613 -10.882 1.00 0.00 N ATOM 752 CA ILE A 47 14.034 -0.460 -9.455 1.00 0.00 C ATOM 753 C ILE A 47 15.481 0.012 -9.246 1.00 0.00 C ATOM 754 O ILE A 47 16.339 -0.200 -10.110 1.00 0.00 O ATOM 755 CB ILE A 47 13.674 -1.744 -8.655 1.00 0.00 C ATOM 756 CG1 ILE A 47 14.801 -2.790 -8.522 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.374 -2.409 -9.146 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.238 -3.494 -9.802 1.00 0.00 C ATOM 0 H ILE A 47 14.531 -1.137 -11.351 1.00 0.00 H new ATOM 0 HA ILE A 47 13.368 0.303 -9.051 1.00 0.00 H new ATOM 0 HB ILE A 47 13.515 -1.361 -7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.672 -2.298 -8.090 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.478 -3.549 -7.810 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.174 -3.300 -8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.545 -1.709 -9.041 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.482 -2.689 -10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.034 -4.203 -9.574 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.390 -4.027 -10.232 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.603 -2.756 -10.517 1.00 0.00 H new ATOM 770 N ALA A 48 15.758 0.654 -8.109 1.00 0.00 N ATOM 771 CA ALA A 48 17.058 1.226 -7.761 1.00 0.00 C ATOM 772 C ALA A 48 17.156 1.418 -6.248 1.00 0.00 C ATOM 773 O ALA A 48 16.166 1.250 -5.534 1.00 0.00 O ATOM 774 CB ALA A 48 17.216 2.588 -8.453 1.00 0.00 C ATOM 0 H ALA A 48 15.058 0.794 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 48 17.846 0.548 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.184 3.017 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.153 2.457 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.423 3.258 -8.122 1.00 0.00 H new ATOM 780 N PHE A 49 18.325 1.846 -5.772 1.00 0.00 N ATOM 781 CA PHE A 49 18.541 2.271 -4.398 1.00 0.00 C ATOM 782 C PHE A 49 19.238 3.631 -4.409 1.00 0.00 C ATOM 783 O PHE A 49 19.970 3.954 -5.349 1.00 0.00 O ATOM 784 CB PHE A 49 19.379 1.237 -3.628 1.00 0.00 C ATOM 785 CG PHE A 49 18.772 -0.148 -3.476 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.785 -1.054 -4.558 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.236 -0.551 -2.236 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.240 -2.342 -4.415 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.719 -1.852 -2.084 1.00 0.00 C ATOM 790 CZ PHE A 49 17.718 -2.745 -3.171 1.00 0.00 C ATOM 0 H PHE A 49 19.165 1.907 -6.348 1.00 0.00 H new ATOM 0 HA PHE A 49 17.580 2.355 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.341 1.135 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.580 1.633 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.216 -0.756 -5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.222 0.137 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.222 -3.020 -5.256 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.322 -2.165 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.317 -3.740 -3.051 1.00 0.00 H new ATOM 800 N VAL A 50 19.031 4.416 -3.355 1.00 0.00 N ATOM 801 CA VAL A 50 19.623 5.738 -3.160 1.00 0.00 C ATOM 802 C VAL A 50 20.038 5.812 -1.685 1.00 0.00 C ATOM 803 O VAL A 50 19.386 5.203 -0.834 1.00 0.00 O ATOM 804 CB VAL A 50 18.608 6.840 -3.560 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.249 8.237 -3.537 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.999 6.622 -4.957 1.00 0.00 C ATOM 0 H VAL A 50 18.424 4.139 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 50 20.497 5.899 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 50 17.815 6.774 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.507 8.983 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.613 8.454 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.082 8.267 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.297 7.426 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.793 6.618 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.475 5.667 -4.980 1.00 0.00 H new ATOM 816 N GLU A 51 21.111 6.532 -1.367 1.00 0.00 N ATOM 817 CA GLU A 51 21.700 6.592 -0.039 1.00 0.00 C ATOM 818 C GLU A 51 22.060 8.041 0.290 1.00 0.00 C ATOM 819 O GLU A 51 22.449 8.820 -0.588 1.00 0.00 O ATOM 820 CB GLU A 51 22.917 5.653 0.012 1.00 0.00 C ATOM 821 CG GLU A 51 23.688 5.760 1.334 1.00 0.00 C ATOM 822 CD GLU A 51 24.732 4.647 1.472 1.00 0.00 C ATOM 823 OE1 GLU A 51 24.363 3.480 1.718 1.00 0.00 O ATOM 824 OE2 GLU A 51 25.939 4.918 1.281 1.00 0.00 O ATOM 0 H GLU A 51 21.607 7.106 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 51 20.992 6.255 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.584 4.625 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.587 5.887 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.181 6.731 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.989 5.709 2.168 1.00 0.00 H new ATOM 831 N PHE A 52 21.921 8.378 1.572 1.00 0.00 N ATOM 832 CA PHE A 52 22.000 9.712 2.137 1.00 0.00 C ATOM 833 C PHE A 52 22.908 9.716 3.368 1.00 0.00 C ATOM 834 O PHE A 52 23.230 8.674 3.949 1.00 0.00 O ATOM 835 CB PHE A 52 20.583 10.177 2.523 1.00 0.00 C ATOM 836 CG PHE A 52 19.840 10.894 1.412 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.378 10.197 0.279 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.631 12.281 1.507 1.00 0.00 C ATOM 839 CE1 PHE A 52 18.761 10.898 -0.772 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.008 12.980 0.462 1.00 0.00 C ATOM 841 CZ PHE A 52 18.594 12.290 -0.687 1.00 0.00 C ATOM 0 H PHE A 52 21.738 7.673 2.286 1.00 0.00 H new ATOM 0 HA PHE A 52 22.422 10.394 1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.000 9.310 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.653 10.840 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.497 9.125 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.952 12.812 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.415 10.366 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.848 14.045 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.146 12.830 -1.508 1.00 0.00 H new ATOM 851 N THR A 53 23.285 10.921 3.778 1.00 0.00 N ATOM 852 CA THR A 53 23.991 11.215 5.013 1.00 0.00 C ATOM 853 C THR A 53 23.117 10.892 6.228 1.00 0.00 C ATOM 854 O THR A 53 23.591 10.246 7.164 1.00 0.00 O ATOM 855 CB THR A 53 24.368 12.707 4.993 1.00 0.00 C ATOM 856 OG1 THR A 53 25.258 12.967 3.921 1.00 0.00 O ATOM 857 CG2 THR A 53 25.004 13.172 6.306 1.00 0.00 C ATOM 0 H THR A 53 23.096 11.759 3.229 1.00 0.00 H new ATOM 0 HA THR A 53 24.888 10.601 5.090 1.00 0.00 H new ATOM 0 HB THR A 53 23.442 13.266 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.756 13.000 3.080 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.250 14.232 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.303 13.016 7.125 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.913 12.600 6.492 1.00 0.00 H new ATOM 865 N THR A 54 21.852 11.317 6.212 1.00 0.00 N ATOM 866 CA THR A 54 20.993 11.278 7.383 1.00 0.00 C ATOM 867 C THR A 54 19.577 10.871 7.000 1.00 0.00 C ATOM 868 O THR A 54 19.071 11.211 5.928 1.00 0.00 O ATOM 869 CB THR A 54 21.017 12.652 8.095 1.00 0.00 C ATOM 870 OG1 THR A 54 21.388 13.721 7.232 1.00 0.00 O ATOM 871 CG2 THR A 54 22.002 12.639 9.260 1.00 0.00 C ATOM 0 H THR A 54 21.399 11.698 5.381 1.00 0.00 H new ATOM 0 HA THR A 54 21.369 10.526 8.077 1.00 0.00 H new ATOM 0 HB THR A 54 19.997 12.818 8.442 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.385 14.563 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.003 13.614 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.705 11.875 9.979 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.002 12.418 8.888 1.00 0.00 H new ATOM 879 N GLU A 55 18.944 10.158 7.932 1.00 0.00 N ATOM 880 CA GLU A 55 17.608 9.570 7.801 1.00 0.00 C ATOM 881 C GLU A 55 16.543 10.650 7.572 1.00 0.00 C ATOM 882 O GLU A 55 15.552 10.431 6.874 1.00 0.00 O ATOM 883 CB GLU A 55 17.264 8.767 9.073 1.00 0.00 C ATOM 884 CG GLU A 55 18.360 7.780 9.515 1.00 0.00 C ATOM 885 CD GLU A 55 17.955 6.937 10.739 1.00 0.00 C ATOM 886 OE1 GLU A 55 17.565 7.504 11.785 1.00 0.00 O ATOM 887 OE2 GLU A 55 18.086 5.693 10.684 1.00 0.00 O ATOM 0 H GLU A 55 19.366 9.965 8.840 1.00 0.00 H new ATOM 0 HA GLU A 55 17.614 8.908 6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.070 9.465 9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.341 8.213 8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.597 7.114 8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.268 8.335 9.748 1.00 0.00 H new ATOM 894 N LEU A 56 16.744 11.831 8.164 1.00 0.00 N ATOM 895 CA LEU A 56 15.849 12.969 7.997 1.00 0.00 C ATOM 896 C LEU A 56 15.925 13.499 6.565 1.00 0.00 C ATOM 897 O LEU A 56 14.910 13.932 6.019 1.00 0.00 O ATOM 898 CB LEU A 56 16.214 14.089 8.992 1.00 0.00 C ATOM 899 CG LEU A 56 15.509 13.971 10.359 1.00 0.00 C ATOM 900 CD1 LEU A 56 15.871 12.689 11.121 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.871 15.183 11.225 1.00 0.00 C ATOM 0 H LEU A 56 17.538 12.021 8.775 1.00 0.00 H new ATOM 0 HA LEU A 56 14.830 12.638 8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.293 14.083 9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.962 15.052 8.547 1.00 0.00 H new ATOM 0 HG LEU A 56 14.439 13.934 10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.341 12.670 12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.584 11.820 10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.945 12.665 11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.374 15.101 12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.950 15.214 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.547 16.096 10.726 1.00 0.00 H new ATOM 913 N GLN A 57 17.110 13.473 5.947 1.00 0.00 N ATOM 914 CA GLN A 57 17.293 14.046 4.621 1.00 0.00 C ATOM 915 C GLN A 57 16.809 13.076 3.544 1.00 0.00 C ATOM 916 O GLN A 57 16.152 13.525 2.604 1.00 0.00 O ATOM 917 CB GLN A 57 18.745 14.495 4.417 1.00 0.00 C ATOM 918 CG GLN A 57 19.118 15.595 5.424 1.00 0.00 C ATOM 919 CD GLN A 57 20.343 16.386 4.974 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.220 17.437 4.354 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.541 15.898 5.245 1.00 0.00 N ATOM 0 H GLN A 57 17.952 13.061 6.348 1.00 0.00 H new ATOM 0 HA GLN A 57 16.679 14.942 4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.415 13.643 4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.877 14.865 3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.274 16.273 5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.314 15.145 6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.630 15.023 5.761 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.376 16.396 4.938 1.00 0.00 H new ATOM 930 N SER A 58 17.039 11.765 3.690 1.00 0.00 N ATOM 931 CA SER A 58 16.409 10.788 2.805 1.00 0.00 C ATOM 932 C SER A 58 14.887 10.871 2.930 1.00 0.00 C ATOM 933 O SER A 58 14.198 10.838 1.913 1.00 0.00 O ATOM 934 CB SER A 58 16.888 9.371 3.118 1.00 0.00 C ATOM 935 OG SER A 58 16.903 9.160 4.512 1.00 0.00 O ATOM 0 H SER A 58 17.648 11.364 4.403 1.00 0.00 H new ATOM 0 HA SER A 58 16.697 11.023 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.232 8.643 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.887 9.218 2.709 1.00 0.00 H new ATOM 0 HG SER A 58 16.500 8.290 4.716 1.00 0.00 H new ATOM 941 N ASN A 59 14.353 11.028 4.148 1.00 0.00 N ATOM 942 CA ASN A 59 12.920 11.215 4.355 1.00 0.00 C ATOM 943 C ASN A 59 12.404 12.429 3.589 1.00 0.00 C ATOM 944 O ASN A 59 11.435 12.317 2.844 1.00 0.00 O ATOM 945 CB ASN A 59 12.584 11.335 5.847 1.00 0.00 C ATOM 946 CG ASN A 59 11.126 11.737 6.055 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.210 10.994 5.722 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.882 12.916 6.603 1.00 0.00 N ATOM 0 H ASN A 59 14.901 11.028 5.008 1.00 0.00 H new ATOM 0 HA ASN A 59 12.417 10.330 3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.776 10.384 6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.237 12.074 6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.920 13.219 6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.656 13.522 6.874 1.00 0.00 H new ATOM 955 N ALA A 60 13.064 13.578 3.724 1.00 0.00 N ATOM 956 CA ALA A 60 12.650 14.786 3.017 1.00 0.00 C ATOM 957 C ALA A 60 12.695 14.587 1.501 1.00 0.00 C ATOM 958 O ALA A 60 11.760 14.977 0.802 1.00 0.00 O ATOM 959 CB ALA A 60 13.511 15.971 3.456 1.00 0.00 C ATOM 0 H ALA A 60 13.886 13.697 4.316 1.00 0.00 H new ATOM 0 HA ALA A 60 11.614 15.002 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.195 16.868 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.396 16.127 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.557 15.764 3.230 1.00 0.00 H new ATOM 965 N ALA A 61 13.745 13.940 0.994 1.00 0.00 N ATOM 966 CA ALA A 61 13.880 13.643 -0.426 1.00 0.00 C ATOM 967 C ALA A 61 12.780 12.692 -0.912 1.00 0.00 C ATOM 968 O ALA A 61 12.234 12.888 -1.998 1.00 0.00 O ATOM 969 CB ALA A 61 15.257 13.041 -0.696 1.00 0.00 C ATOM 0 H ALA A 61 14.526 13.608 1.561 1.00 0.00 H new ATOM 0 HA ALA A 61 13.774 14.576 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.355 12.820 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.029 13.751 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.371 12.121 -0.122 1.00 0.00 H new ATOM 975 N LYS A 62 12.428 11.681 -0.111 1.00 0.00 N ATOM 976 CA LYS A 62 11.316 10.779 -0.388 1.00 0.00 C ATOM 977 C LYS A 62 10.036 11.595 -0.523 1.00 0.00 C ATOM 978 O LYS A 62 9.364 11.482 -1.544 1.00 0.00 O ATOM 979 CB LYS A 62 11.241 9.696 0.708 1.00 0.00 C ATOM 980 CG LYS A 62 9.923 8.908 0.725 1.00 0.00 C ATOM 981 CD LYS A 62 9.919 7.867 1.852 1.00 0.00 C ATOM 982 CE LYS A 62 8.512 7.294 2.082 1.00 0.00 C ATOM 983 NZ LYS A 62 7.631 8.218 2.844 1.00 0.00 N ATOM 0 H LYS A 62 12.917 11.467 0.758 1.00 0.00 H new ATOM 0 HA LYS A 62 11.463 10.254 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.067 8.998 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.381 10.168 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.087 9.594 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.780 8.411 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.607 7.058 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.282 8.324 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.053 7.073 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.593 6.350 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.644 7.898 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.917 8.225 3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.715 9.178 2.454 1.00 0.00 H new ATOM 997 N GLU A 63 9.707 12.442 0.452 1.00 0.00 N ATOM 998 CA GLU A 63 8.470 13.217 0.394 1.00 0.00 C ATOM 999 C GLU A 63 8.468 14.160 -0.818 1.00 0.00 C ATOM 1000 O GLU A 63 7.419 14.389 -1.423 1.00 0.00 O ATOM 1001 CB GLU A 63 8.255 14.006 1.698 1.00 0.00 C ATOM 1002 CG GLU A 63 8.094 13.133 2.953 1.00 0.00 C ATOM 1003 CD GLU A 63 6.966 12.094 2.824 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.787 12.443 3.066 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.255 10.920 2.496 1.00 0.00 O ATOM 0 H GLU A 63 10.274 12.608 1.283 1.00 0.00 H new ATOM 0 HA GLU A 63 7.642 12.518 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.101 14.678 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.368 14.629 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.033 12.618 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.893 13.774 3.811 1.00 0.00 H new ATOM 1012 N ALA A 64 9.639 14.681 -1.192 1.00 0.00 N ATOM 1013 CA ALA A 64 9.800 15.604 -2.305 1.00 0.00 C ATOM 1014 C ALA A 64 9.620 14.931 -3.671 1.00 0.00 C ATOM 1015 O ALA A 64 9.053 15.555 -4.570 1.00 0.00 O ATOM 1016 CB ALA A 64 11.190 16.237 -2.226 1.00 0.00 C ATOM 0 H ALA A 64 10.515 14.465 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 64 9.019 16.360 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.321 16.931 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.292 16.775 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.949 15.457 -2.282 1.00 0.00 H new ATOM 1022 N LEU A 65 10.094 13.689 -3.848 1.00 0.00 N ATOM 1023 CA LEU A 65 10.168 13.044 -5.164 1.00 0.00 C ATOM 1024 C LEU A 65 9.239 11.840 -5.315 1.00 0.00 C ATOM 1025 O LEU A 65 9.159 11.289 -6.414 1.00 0.00 O ATOM 1026 CB LEU A 65 11.622 12.660 -5.510 1.00 0.00 C ATOM 1027 CG LEU A 65 12.583 13.837 -5.762 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.973 13.289 -6.105 1.00 0.00 C ATOM 1029 CD2 LEU A 65 12.130 14.754 -6.907 1.00 0.00 C ATOM 0 H LEU A 65 10.436 13.106 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 65 9.815 13.787 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.022 12.056 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.610 12.029 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 65 12.597 14.431 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.657 14.118 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.342 12.687 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.910 12.671 -7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.850 15.562 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.066 14.178 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.152 15.173 -6.672 1.00 0.00 H new ATOM 1041 N GLN A 66 8.508 11.422 -4.276 1.00 0.00 N ATOM 1042 CA GLN A 66 7.470 10.411 -4.464 1.00 0.00 C ATOM 1043 C GLN A 66 6.479 10.922 -5.516 1.00 0.00 C ATOM 1044 O GLN A 66 5.966 12.040 -5.420 1.00 0.00 O ATOM 1045 CB GLN A 66 6.736 10.069 -3.157 1.00 0.00 C ATOM 1046 CG GLN A 66 7.392 8.911 -2.389 1.00 0.00 C ATOM 1047 CD GLN A 66 6.520 8.412 -1.233 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.776 9.162 -0.607 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.565 7.123 -0.928 1.00 0.00 N ATOM 0 H GLN A 66 8.613 11.760 -3.319 1.00 0.00 H new ATOM 0 HA GLN A 66 7.945 9.489 -4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.709 10.952 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.702 9.808 -3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.587 8.087 -3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.356 9.237 -1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.182 6.498 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.983 6.756 -0.175 1.00 0.00 H new ATOM 1058 N GLY A 67 6.219 10.087 -6.520 1.00 0.00 N ATOM 1059 CA GLY A 67 5.310 10.369 -7.622 1.00 0.00 C ATOM 1060 C GLY A 67 5.945 11.186 -8.753 1.00 0.00 C ATOM 1061 O GLY A 67 5.251 11.489 -9.725 1.00 0.00 O ATOM 0 H GLY A 67 6.651 9.166 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.943 9.427 -8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.444 10.909 -7.238 1.00 0.00 H new ATOM 1065 N PHE A 68 7.225 11.563 -8.659 1.00 0.00 N ATOM 1066 CA PHE A 68 7.889 12.399 -9.652 1.00 0.00 C ATOM 1067 C PHE A 68 8.034 11.619 -10.957 1.00 0.00 C ATOM 1068 O PHE A 68 8.651 10.555 -10.974 1.00 0.00 O ATOM 1069 CB PHE A 68 9.259 12.840 -9.115 1.00 0.00 C ATOM 1070 CG PHE A 68 10.033 13.750 -10.046 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.875 15.147 -9.961 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.915 13.202 -10.997 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.594 15.992 -10.826 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.623 14.048 -11.869 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.465 15.442 -11.783 1.00 0.00 C ATOM 0 H PHE A 68 7.830 11.292 -7.884 1.00 0.00 H new ATOM 0 HA PHE A 68 7.294 13.291 -9.849 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.115 13.352 -8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.859 11.953 -8.912 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.201 15.570 -9.231 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.048 12.132 -11.057 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.477 17.063 -10.755 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.290 13.626 -12.606 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.012 16.090 -12.451 1.00 0.00 H new ATOM 1085 N LYS A 69 7.483 12.133 -12.058 1.00 0.00 N ATOM 1086 CA LYS A 69 7.687 11.541 -13.382 1.00 0.00 C ATOM 1087 C LYS A 69 9.162 11.656 -13.747 1.00 0.00 C ATOM 1088 O LYS A 69 9.636 12.751 -14.052 1.00 0.00 O ATOM 1089 CB LYS A 69 6.819 12.224 -14.457 1.00 0.00 C ATOM 1090 CG LYS A 69 5.554 11.432 -14.813 1.00 0.00 C ATOM 1091 CD LYS A 69 4.531 11.288 -13.680 1.00 0.00 C ATOM 1092 CE LYS A 69 3.478 10.222 -14.026 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.575 10.612 -15.141 1.00 0.00 N ATOM 0 H LYS A 69 6.889 12.962 -12.059 1.00 0.00 H new ATOM 0 HA LYS A 69 7.386 10.494 -13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.531 13.215 -14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.415 12.366 -15.358 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.068 11.917 -15.660 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.849 10.436 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.041 11.015 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.041 12.245 -13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.986 9.294 -14.290 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.878 10.016 -13.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.681 10.086 -15.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.381 11.633 -15.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.030 10.391 -16.050 1.00 0.00 H new ATOM 1107 N ILE A 70 9.877 10.532 -13.735 1.00 0.00 N ATOM 1108 CA ILE A 70 11.232 10.477 -14.281 1.00 0.00 C ATOM 1109 C ILE A 70 11.058 10.637 -15.804 1.00 0.00 C ATOM 1110 O ILE A 70 11.750 11.436 -16.433 1.00 0.00 O ATOM 1111 CB ILE A 70 11.934 9.176 -13.852 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.057 9.100 -12.316 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.334 9.119 -14.479 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.418 7.701 -11.810 1.00 0.00 C ATOM 0 H ILE A 70 9.541 9.648 -13.353 1.00 0.00 H new ATOM 0 HA ILE A 70 11.885 11.264 -13.905 1.00 0.00 H new ATOM 0 HB ILE A 70 11.337 8.331 -14.196 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.817 9.807 -11.983 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.114 9.410 -11.866 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.831 8.198 -14.175 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.247 9.144 -15.565 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.919 9.975 -14.142 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.489 7.715 -10.722 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.646 6.994 -12.114 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.376 7.397 -12.233 1.00 0.00 H new ATOM 1126 N THR A 71 10.075 9.928 -16.373 1.00 0.00 N ATOM 1127 CA THR A 71 9.568 10.096 -17.733 1.00 0.00 C ATOM 1128 C THR A 71 8.039 10.075 -17.609 1.00 0.00 C ATOM 1129 O THR A 71 7.551 9.607 -16.575 1.00 0.00 O ATOM 1130 CB THR A 71 10.120 9.009 -18.674 1.00 0.00 C ATOM 1131 OG1 THR A 71 10.069 7.739 -18.062 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.569 9.273 -19.091 1.00 0.00 C ATOM 0 H THR A 71 9.590 9.186 -15.869 1.00 0.00 H new ATOM 0 HA THR A 71 9.895 11.033 -18.183 1.00 0.00 H new ATOM 0 HB THR A 71 9.486 9.034 -19.561 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.642 7.115 -18.555 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.908 8.477 -19.754 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.629 10.229 -19.612 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.203 9.302 -18.205 1.00 0.00 H new ATOM 1140 N PRO A 72 7.263 10.554 -18.602 1.00 0.00 N ATOM 1141 CA PRO A 72 5.821 10.778 -18.466 1.00 0.00 C ATOM 1142 C PRO A 72 4.970 9.596 -17.981 1.00 0.00 C ATOM 1143 O PRO A 72 3.844 9.828 -17.535 1.00 0.00 O ATOM 1144 CB PRO A 72 5.330 11.337 -19.809 1.00 0.00 C ATOM 1145 CG PRO A 72 6.491 11.108 -20.772 1.00 0.00 C ATOM 1146 CD PRO A 72 7.713 11.130 -19.862 1.00 0.00 C ATOM 0 HA PRO A 72 5.683 11.482 -17.645 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.429 10.824 -20.146 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.083 12.396 -19.731 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.397 10.157 -21.296 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.542 11.887 -21.533 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.532 10.551 -20.289 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.080 12.146 -19.721 1.00 0.00 H new ATOM 1154 N THR A 73 5.478 8.364 -18.001 1.00 0.00 N ATOM 1155 CA THR A 73 4.750 7.159 -17.617 1.00 0.00 C ATOM 1156 C THR A 73 5.447 6.399 -16.475 1.00 0.00 C ATOM 1157 O THR A 73 5.074 5.263 -16.175 1.00 0.00 O ATOM 1158 CB THR A 73 4.518 6.305 -18.882 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.714 6.169 -19.636 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.475 6.951 -19.805 1.00 0.00 C ATOM 0 H THR A 73 6.436 8.173 -18.294 1.00 0.00 H new ATOM 0 HA THR A 73 3.778 7.428 -17.204 1.00 0.00 H new ATOM 0 HB THR A 73 4.171 5.332 -18.535 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.539 5.622 -20.430 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.333 6.327 -20.687 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.529 7.048 -19.273 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.822 7.938 -20.111 1.00 0.00 H new ATOM 1168 N HIS A 74 6.432 7.017 -15.811 1.00 0.00 N ATOM 1169 CA HIS A 74 7.235 6.394 -14.766 1.00 0.00 C ATOM 1170 C HIS A 74 7.330 7.354 -13.587 1.00 0.00 C ATOM 1171 O HIS A 74 8.335 8.043 -13.388 1.00 0.00 O ATOM 1172 CB HIS A 74 8.599 5.961 -15.316 1.00 0.00 C ATOM 1173 CG HIS A 74 8.490 4.977 -16.454 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.736 5.240 -17.782 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.120 3.660 -16.367 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.527 4.111 -18.478 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.146 3.114 -17.658 1.00 0.00 N ATOM 0 H HIS A 74 6.694 7.986 -15.994 1.00 0.00 H new ATOM 0 HA HIS A 74 6.761 5.479 -14.410 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.144 6.842 -15.656 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.184 5.515 -14.512 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.027 6.137 -18.170 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.855 3.134 -15.462 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.648 4.016 -19.547 1.00 0.00 H new ATOM 1185 N ALA A 75 6.226 7.441 -12.842 1.00 0.00 N ATOM 1186 CA ALA A 75 6.173 8.127 -11.561 1.00 0.00 C ATOM 1187 C ALA A 75 7.030 7.343 -10.566 1.00 0.00 C ATOM 1188 O ALA A 75 6.649 6.247 -10.147 1.00 0.00 O ATOM 1189 CB ALA A 75 4.721 8.222 -11.075 1.00 0.00 C ATOM 0 H ALA A 75 5.335 7.030 -13.120 1.00 0.00 H new ATOM 0 HA ALA A 75 6.558 9.142 -11.656 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.692 8.737 -10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.129 8.777 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.309 7.219 -10.961 1.00 0.00 H new ATOM 1195 N MET A 76 8.180 7.909 -10.204 1.00 0.00 N ATOM 1196 CA MET A 76 9.099 7.401 -9.199 1.00 0.00 C ATOM 1197 C MET A 76 8.337 6.978 -7.947 1.00 0.00 C ATOM 1198 O MET A 76 7.656 7.799 -7.328 1.00 0.00 O ATOM 1199 CB MET A 76 10.096 8.519 -8.866 1.00 0.00 C ATOM 1200 CG MET A 76 11.205 8.055 -7.923 1.00 0.00 C ATOM 1201 SD MET A 76 12.311 9.379 -7.370 1.00 0.00 S ATOM 1202 CE MET A 76 13.009 9.985 -8.929 1.00 0.00 C ATOM 0 H MET A 76 8.508 8.777 -10.627 1.00 0.00 H new ATOM 0 HA MET A 76 9.626 6.525 -9.578 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.541 8.891 -9.789 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.562 9.353 -8.411 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.752 7.587 -7.049 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.796 7.289 -8.424 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.717 10.788 -8.723 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.523 9.170 -9.439 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.208 10.363 -9.564 1.00 0.00 H new ATOM 1212 N LYS A 77 8.487 5.720 -7.539 1.00 0.00 N ATOM 1213 CA LYS A 77 7.947 5.218 -6.293 1.00 0.00 C ATOM 1214 C LYS A 77 9.148 5.023 -5.373 1.00 0.00 C ATOM 1215 O LYS A 77 10.210 4.599 -5.833 1.00 0.00 O ATOM 1216 CB LYS A 77 7.181 3.935 -6.623 1.00 0.00 C ATOM 1217 CG LYS A 77 6.271 3.485 -5.485 1.00 0.00 C ATOM 1218 CD LYS A 77 5.483 2.241 -5.913 1.00 0.00 C ATOM 1219 CE LYS A 77 4.406 1.912 -4.875 1.00 0.00 C ATOM 1220 NZ LYS A 77 3.985 0.492 -4.946 1.00 0.00 N ATOM 0 H LYS A 77 8.995 5.017 -8.077 1.00 0.00 H new ATOM 0 HA LYS A 77 7.243 5.879 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.583 4.094 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.892 3.140 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.865 3.264 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.584 4.288 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.021 2.411 -6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.160 1.394 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.786 2.129 -3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.541 2.556 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.255 0.310 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.599 0.291 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.805 -0.123 -4.770 1.00 0.00 H new ATOM 1234 N ILE A 78 9.008 5.380 -4.099 1.00 0.00 N ATOM 1235 CA ILE A 78 10.110 5.459 -3.143 1.00 0.00 C ATOM 1236 C ILE A 78 9.620 4.815 -1.852 1.00 0.00 C ATOM 1237 O ILE A 78 8.461 5.007 -1.470 1.00 0.00 O ATOM 1238 CB ILE A 78 10.527 6.932 -2.888 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.695 7.766 -4.181 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.807 7.003 -2.032 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.049 9.235 -3.936 1.00 0.00 C ATOM 0 H ILE A 78 8.106 5.628 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 78 10.989 4.945 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 78 9.699 7.382 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.474 7.313 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.770 7.717 -4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.078 8.046 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.630 6.519 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.620 6.494 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.149 9.749 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.260 9.707 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.991 9.296 -3.391 1.00 0.00 H new ATOM 1253 N THR A 79 10.518 4.118 -1.168 1.00 0.00 N ATOM 1254 CA THR A 79 10.293 3.400 0.075 1.00 0.00 C ATOM 1255 C THR A 79 11.600 3.447 0.877 1.00 0.00 C ATOM 1256 O THR A 79 12.675 3.591 0.288 1.00 0.00 O ATOM 1257 CB THR A 79 9.878 1.945 -0.246 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.235 1.506 -1.553 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.359 1.792 -0.157 1.00 0.00 C ATOM 0 H THR A 79 11.483 4.035 -1.489 1.00 0.00 H new ATOM 0 HA THR A 79 9.492 3.851 0.661 1.00 0.00 H new ATOM 0 HB THR A 79 10.413 1.344 0.490 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.129 1.840 -1.777 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.083 0.763 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.027 2.042 0.851 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.883 2.463 -0.873 1.00 0.00 H new ATOM 1267 N PHE A 80 11.547 3.335 2.207 1.00 0.00 N ATOM 1268 CA PHE A 80 12.768 3.203 2.996 1.00 0.00 C ATOM 1269 C PHE A 80 13.315 1.790 2.808 1.00 0.00 C ATOM 1270 O PHE A 80 12.565 0.814 2.913 1.00 0.00 O ATOM 1271 CB PHE A 80 12.503 3.509 4.475 1.00 0.00 C ATOM 1272 CG PHE A 80 12.195 4.972 4.734 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.212 5.939 4.609 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.889 5.377 5.069 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.923 7.303 4.791 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.604 6.736 5.280 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.617 7.699 5.129 1.00 0.00 C ATOM 0 H PHE A 80 10.684 3.333 2.751 1.00 0.00 H new ATOM 0 HA PHE A 80 13.509 3.926 2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.667 2.901 4.822 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.374 3.218 5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.220 5.631 4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.104 4.641 5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.701 8.043 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.606 7.041 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.391 8.745 5.273 1.00 0.00 H new ATOM 1287 N ALA A 81 14.614 1.689 2.523 1.00 0.00 N ATOM 1288 CA ALA A 81 15.329 0.417 2.532 1.00 0.00 C ATOM 1289 C ALA A 81 15.680 0.073 3.989 1.00 0.00 C ATOM 1290 O ALA A 81 15.363 0.841 4.903 1.00 0.00 O ATOM 1291 CB ALA A 81 16.584 0.526 1.656 1.00 0.00 C ATOM 0 H ALA A 81 15.198 2.489 2.280 1.00 0.00 H new ATOM 0 HA ALA A 81 14.711 -0.381 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.117 -0.425 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.294 0.771 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.234 1.309 2.047 1.00 0.00 H new