USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 79:sc= -0.0277 USER MOD Single : A 40 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.8!) USER MOD Single : A 43 TYR OH : rot 30:sc= 0.00216 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 159:sc= -0.0726 (180deg=-0.728) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.409 K(o=-0.41,f=-5.3!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -112:sc= -1.79 (180deg=-6.01!) USER MOD Single : A 74 ASN : amide:sc=-0.00413 K(o=-0.0041,f=-1.6!) USER MOD Single : A 75 CYS SG : rot 96:sc= -2.79 USER MOD Single : A 80 TYR OH : rot -23:sc= -8.16! USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0189 (180deg=-0.351) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -107:sc= 2.6 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 94 ASN : amide:sc= -0.979 K(o=-0.98,f=-7.3!) USER MOD Single : A 96 THR OG1 : rot -93:sc= 0.353 USER MOD Single : A 97 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.3!) USER MOD Single : A 100 SER OG : rot 41:sc= 1.25 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.550 22.283 14.461 1.00 0.00 N ATOM 79 CA ASN A 40 20.945 21.514 13.337 1.00 0.00 C ATOM 80 C ASN A 40 22.038 21.118 12.342 1.00 0.00 C ATOM 81 O ASN A 40 22.675 21.959 11.738 1.00 0.00 O ATOM 82 CB ASN A 40 19.900 22.378 12.629 1.00 0.00 C ATOM 83 CG ASN A 40 19.060 21.500 11.700 1.00 0.00 C ATOM 84 OD1 ASN A 40 19.247 20.300 11.645 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.134 22.050 10.963 1.00 0.00 N ATOM 0 HA ASN A 40 20.468 20.616 13.729 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.259 22.867 13.363 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.390 23.166 12.058 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.567 21.473 10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 40 17.977 23.057 11.009 1.00 0.00 H new ATOM 92 N THR A 41 22.261 19.844 12.167 1.00 0.00 N ATOM 93 CA THR A 41 23.312 19.395 11.211 1.00 0.00 C ATOM 94 C THR A 41 22.757 19.431 9.787 1.00 0.00 C ATOM 95 O THR A 41 21.601 19.139 9.552 1.00 0.00 O ATOM 96 CB THR A 41 23.739 17.966 11.557 1.00 0.00 C ATOM 97 OG1 THR A 41 24.340 17.950 12.845 1.00 0.00 O ATOM 98 CG2 THR A 41 24.744 17.465 10.518 1.00 0.00 C ATOM 0 H THR A 41 21.761 19.095 12.645 1.00 0.00 H new ATOM 0 HA THR A 41 24.174 20.059 11.281 1.00 0.00 H new ATOM 0 HB THR A 41 22.864 17.316 11.556 1.00 0.00 H new ATOM 0 HG1 THR A 41 24.612 17.035 13.068 1.00 0.00 H new ATOM 0 HG21 THR A 41 25.047 16.448 10.766 1.00 0.00 H new ATOM 0 HG22 THR A 41 24.282 17.476 9.531 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.620 18.114 10.516 1.00 0.00 H new ATOM 106 N LEU A 42 23.572 19.787 8.831 1.00 0.00 N ATOM 107 CA LEU A 42 23.090 19.843 7.422 1.00 0.00 C ATOM 108 C LEU A 42 23.844 18.812 6.583 1.00 0.00 C ATOM 109 O LEU A 42 25.003 18.533 6.818 1.00 0.00 O ATOM 110 CB LEU A 42 23.338 21.242 6.853 1.00 0.00 C ATOM 111 CG LEU A 42 22.494 22.259 7.623 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.326 22.854 8.761 1.00 0.00 C ATOM 113 CD2 LEU A 42 22.051 23.377 6.677 1.00 0.00 C ATOM 0 H LEU A 42 24.551 20.041 8.965 1.00 0.00 H new ATOM 0 HA LEU A 42 22.023 19.623 7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.395 21.496 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 42 23.081 21.267 5.794 1.00 0.00 H new ATOM 0 HG LEU A 42 21.615 21.763 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.725 23.579 9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.641 22.058 9.436 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.205 23.349 8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.450 24.101 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 42 22.929 23.873 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.458 22.954 5.866 1.00 0.00 H new ATOM 125 N TYR A 43 23.197 18.241 5.605 1.00 0.00 N ATOM 126 CA TYR A 43 23.877 17.227 4.751 1.00 0.00 C ATOM 127 C TYR A 43 24.191 17.838 3.384 1.00 0.00 C ATOM 128 O TYR A 43 23.304 18.140 2.610 1.00 0.00 O ATOM 129 CB TYR A 43 22.957 16.019 4.570 1.00 0.00 C ATOM 130 CG TYR A 43 23.584 15.051 3.596 1.00 0.00 C ATOM 131 CD1 TYR A 43 23.415 15.238 2.218 1.00 0.00 C ATOM 132 CD2 TYR A 43 24.331 13.967 4.069 1.00 0.00 C ATOM 133 CE1 TYR A 43 23.994 14.341 1.315 1.00 0.00 C ATOM 134 CE2 TYR A 43 24.912 13.069 3.165 1.00 0.00 C ATOM 135 CZ TYR A 43 24.743 13.255 1.788 1.00 0.00 C ATOM 136 OH TYR A 43 25.315 12.370 0.897 1.00 0.00 O ATOM 0 H TYR A 43 22.226 18.433 5.360 1.00 0.00 H new ATOM 0 HA TYR A 43 24.805 16.912 5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.789 15.529 5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.983 16.342 4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 43 22.838 16.075 1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 43 24.460 13.823 5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 43 23.864 14.485 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 43 25.490 12.233 3.530 1.00 0.00 H new ATOM 0 HH TYR A 43 25.530 12.838 0.063 1.00 0.00 H new ATOM 146 N VAL A 44 25.447 18.024 3.081 1.00 0.00 N ATOM 147 CA VAL A 44 25.815 18.617 1.765 1.00 0.00 C ATOM 148 C VAL A 44 26.484 17.551 0.892 1.00 0.00 C ATOM 149 O VAL A 44 27.123 16.643 1.386 1.00 0.00 O ATOM 150 CB VAL A 44 26.786 19.779 1.983 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.057 20.474 0.648 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.171 20.780 2.963 1.00 0.00 C ATOM 0 H VAL A 44 26.233 17.791 3.688 1.00 0.00 H new ATOM 0 HA VAL A 44 24.916 18.982 1.268 1.00 0.00 H new ATOM 0 HB VAL A 44 27.722 19.399 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 44 27.749 21.302 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.495 19.761 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.121 20.855 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 44 26.862 21.608 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.235 21.161 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 44 25.977 20.285 3.915 1.00 0.00 H new ATOM 162 N TYR A 45 26.346 17.655 -0.402 1.00 0.00 N ATOM 163 CA TYR A 45 26.976 16.649 -1.303 1.00 0.00 C ATOM 164 C TYR A 45 27.519 17.347 -2.552 1.00 0.00 C ATOM 165 O TYR A 45 26.891 18.228 -3.105 1.00 0.00 O ATOM 166 CB TYR A 45 25.934 15.608 -1.717 1.00 0.00 C ATOM 167 CG TYR A 45 26.589 14.564 -2.589 1.00 0.00 C ATOM 168 CD1 TYR A 45 27.196 13.446 -2.005 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.592 14.714 -3.981 1.00 0.00 C ATOM 170 CE1 TYR A 45 27.806 12.478 -2.812 1.00 0.00 C ATOM 171 CE2 TYR A 45 27.202 13.747 -4.789 1.00 0.00 C ATOM 172 CZ TYR A 45 27.809 12.629 -4.204 1.00 0.00 C ATOM 173 OH TYR A 45 28.410 11.675 -5.001 1.00 0.00 O ATOM 0 H TYR A 45 25.824 18.393 -0.874 1.00 0.00 H new ATOM 0 HA TYR A 45 27.794 16.157 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.500 15.140 -0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 45 25.118 16.089 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 45 27.194 13.330 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 45 26.123 15.576 -4.432 1.00 0.00 H new ATOM 0 HE1 TYR A 45 28.274 11.615 -2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 45 27.204 13.863 -5.863 1.00 0.00 H new ATOM 0 HH TYR A 45 28.321 11.932 -5.942 1.00 0.00 H new ATOM 183 N GLY A 46 28.682 16.960 -3.001 1.00 0.00 N ATOM 184 CA GLY A 46 29.262 17.601 -4.215 1.00 0.00 C ATOM 185 C GLY A 46 30.651 17.016 -4.487 1.00 0.00 C ATOM 186 O GLY A 46 31.038 16.019 -3.910 1.00 0.00 O ATOM 0 H GLY A 46 29.255 16.229 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 46 28.611 17.435 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.331 18.679 -4.072 1.00 0.00 H new ATOM 190 N GLU A 47 31.402 17.627 -5.361 1.00 0.00 N ATOM 191 CA GLU A 47 32.765 17.105 -5.667 1.00 0.00 C ATOM 192 C GLU A 47 33.813 18.134 -5.235 1.00 0.00 C ATOM 193 O GLU A 47 33.513 19.294 -5.036 1.00 0.00 O ATOM 194 CB GLU A 47 32.886 16.852 -7.172 1.00 0.00 C ATOM 195 CG GLU A 47 31.766 15.912 -7.624 1.00 0.00 C ATOM 196 CD GLU A 47 31.863 15.693 -9.135 1.00 0.00 C ATOM 197 OE1 GLU A 47 32.600 16.426 -9.773 1.00 0.00 O ATOM 198 OE2 GLU A 47 31.199 14.796 -9.627 1.00 0.00 O ATOM 0 H GLU A 47 31.132 18.465 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 47 32.929 16.172 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 47 32.826 17.795 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 47 33.857 16.414 -7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 47 31.844 14.958 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 47 30.795 16.337 -7.369 1.00 0.00 H new ATOM 205 N ASP A 48 35.042 17.717 -5.090 1.00 0.00 N ATOM 206 CA ASP A 48 36.107 18.671 -4.672 1.00 0.00 C ATOM 207 C ASP A 48 35.587 19.556 -3.537 1.00 0.00 C ATOM 208 O ASP A 48 35.842 20.744 -3.498 1.00 0.00 O ATOM 209 CB ASP A 48 36.505 19.548 -5.860 1.00 0.00 C ATOM 210 CG ASP A 48 36.929 18.660 -7.031 1.00 0.00 C ATOM 211 OD1 ASP A 48 37.256 17.510 -6.790 1.00 0.00 O ATOM 212 OD2 ASP A 48 36.922 19.146 -8.151 1.00 0.00 O ATOM 0 H ASP A 48 35.353 16.758 -5.243 1.00 0.00 H new ATOM 0 HA ASP A 48 36.976 18.111 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 48 35.668 20.181 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 48 37.323 20.211 -5.578 1.00 0.00 H new ATOM 217 N MET A 49 34.861 18.988 -2.613 1.00 0.00 N ATOM 218 CA MET A 49 34.327 19.800 -1.482 1.00 0.00 C ATOM 219 C MET A 49 35.439 20.034 -0.456 1.00 0.00 C ATOM 220 O MET A 49 36.212 19.147 -0.152 1.00 0.00 O ATOM 221 CB MET A 49 33.170 19.053 -0.818 1.00 0.00 C ATOM 222 CG MET A 49 32.225 18.510 -1.892 1.00 0.00 C ATOM 223 SD MET A 49 31.082 17.323 -1.144 1.00 0.00 S ATOM 224 CE MET A 49 30.177 18.500 -0.109 1.00 0.00 C ATOM 0 H MET A 49 34.615 17.998 -2.592 1.00 0.00 H new ATOM 0 HA MET A 49 33.970 20.759 -1.859 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.554 18.234 -0.210 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.629 19.721 -0.148 1.00 0.00 H new ATOM 0 HG2 MET A 49 31.669 19.328 -2.350 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.797 18.030 -2.686 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.206 18.081 0.155 1.00 0.00 H new ATOM 0 HE2 MET A 49 30.746 18.698 0.799 1.00 0.00 H new ATOM 0 HE3 MET A 49 30.033 19.431 -0.657 1.00 0.00 H new ATOM 234 N THR A 50 35.526 21.220 0.079 1.00 0.00 N ATOM 235 CA THR A 50 36.587 21.508 1.085 1.00 0.00 C ATOM 236 C THR A 50 35.950 22.094 2.347 1.00 0.00 C ATOM 237 O THR A 50 34.834 22.572 2.323 1.00 0.00 O ATOM 238 CB THR A 50 37.582 22.515 0.501 1.00 0.00 C ATOM 239 OG1 THR A 50 36.946 23.265 -0.524 1.00 0.00 O ATOM 240 CG2 THR A 50 38.785 21.770 -0.081 1.00 0.00 C ATOM 0 H THR A 50 34.908 22.003 -0.137 1.00 0.00 H new ATOM 0 HA THR A 50 37.108 20.585 1.338 1.00 0.00 H new ATOM 0 HB THR A 50 37.922 23.188 1.288 1.00 0.00 H new ATOM 0 HG1 THR A 50 37.581 23.911 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.492 22.488 -0.496 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.272 21.195 0.706 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.449 21.095 -0.868 1.00 0.00 H new ATOM 248 N PRO A 51 36.681 22.051 3.472 1.00 0.00 N ATOM 249 CA PRO A 51 36.194 22.576 4.753 1.00 0.00 C ATOM 250 C PRO A 51 36.109 24.105 4.746 1.00 0.00 C ATOM 251 O PRO A 51 35.091 24.681 5.072 1.00 0.00 O ATOM 252 CB PRO A 51 37.251 22.114 5.755 1.00 0.00 C ATOM 253 CG PRO A 51 38.489 21.940 4.941 1.00 0.00 C ATOM 254 CD PRO A 51 38.038 21.488 3.581 1.00 0.00 C ATOM 0 HA PRO A 51 35.188 22.224 4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.396 22.850 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.959 21.181 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 51 39.046 22.875 4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 51 39.153 21.204 5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.693 21.862 2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 51 38.031 20.401 3.500 1.00 0.00 H new ATOM 262 N THR A 52 37.171 24.766 4.377 1.00 0.00 N ATOM 263 CA THR A 52 37.148 26.255 4.348 1.00 0.00 C ATOM 264 C THR A 52 36.048 26.728 3.396 1.00 0.00 C ATOM 265 O THR A 52 35.333 27.669 3.676 1.00 0.00 O ATOM 266 CB THR A 52 38.502 26.779 3.863 1.00 0.00 C ATOM 267 OG1 THR A 52 39.538 26.207 4.650 1.00 0.00 O ATOM 268 CG2 THR A 52 38.541 28.302 3.996 1.00 0.00 C ATOM 0 H THR A 52 38.053 24.340 4.094 1.00 0.00 H new ATOM 0 HA THR A 52 36.951 26.635 5.351 1.00 0.00 H new ATOM 0 HB THR A 52 38.644 26.505 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.406 26.540 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.506 28.673 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 52 37.746 28.740 3.392 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.399 28.580 5.040 1.00 0.00 H new ATOM 276 N LEU A 53 35.908 26.081 2.271 1.00 0.00 N ATOM 277 CA LEU A 53 34.855 26.492 1.301 1.00 0.00 C ATOM 278 C LEU A 53 33.475 26.267 1.921 1.00 0.00 C ATOM 279 O LEU A 53 32.599 27.104 1.830 1.00 0.00 O ATOM 280 CB LEU A 53 34.984 25.658 0.025 1.00 0.00 C ATOM 281 CG LEU A 53 34.074 26.241 -1.057 1.00 0.00 C ATOM 282 CD1 LEU A 53 34.615 25.861 -2.437 1.00 0.00 C ATOM 283 CD2 LEU A 53 32.660 25.681 -0.890 1.00 0.00 C ATOM 0 H LEU A 53 36.478 25.286 1.982 1.00 0.00 H new ATOM 0 HA LEU A 53 34.976 27.548 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.019 25.655 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 53 34.711 24.622 0.225 1.00 0.00 H new ATOM 0 HG LEU A 53 34.047 27.327 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 53 33.967 26.276 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 53 35.622 26.260 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 53 34.642 24.775 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 53 32.011 26.096 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 53 32.685 24.595 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.275 25.952 0.093 1.00 0.00 H new ATOM 295 N LEU A 54 33.273 25.143 2.551 1.00 0.00 N ATOM 296 CA LEU A 54 31.949 24.867 3.177 1.00 0.00 C ATOM 297 C LEU A 54 31.694 25.882 4.294 1.00 0.00 C ATOM 298 O LEU A 54 30.625 26.448 4.400 1.00 0.00 O ATOM 299 CB LEU A 54 31.945 23.453 3.762 1.00 0.00 C ATOM 300 CG LEU A 54 32.088 22.434 2.629 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.626 21.117 3.193 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.722 22.194 1.985 1.00 0.00 C ATOM 0 H LEU A 54 33.967 24.404 2.660 1.00 0.00 H new ATOM 0 HA LEU A 54 31.166 24.949 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.763 23.340 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 54 31.019 23.277 4.310 1.00 0.00 H new ATOM 0 HG LEU A 54 32.780 22.817 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.728 20.391 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.599 21.289 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 54 31.934 20.732 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.823 21.468 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.029 21.810 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.339 23.132 1.584 1.00 0.00 H new ATOM 314 N ARG A 55 32.670 26.118 5.127 1.00 0.00 N ATOM 315 CA ARG A 55 32.484 27.096 6.235 1.00 0.00 C ATOM 316 C ARG A 55 31.946 28.411 5.666 1.00 0.00 C ATOM 317 O ARG A 55 31.075 29.035 6.238 1.00 0.00 O ATOM 318 CB ARG A 55 33.828 27.352 6.921 1.00 0.00 C ATOM 319 CG ARG A 55 34.256 26.099 7.687 1.00 0.00 C ATOM 320 CD ARG A 55 35.631 26.330 8.317 1.00 0.00 C ATOM 321 NE ARG A 55 35.496 27.247 9.484 1.00 0.00 N ATOM 322 CZ ARG A 55 36.548 27.568 10.186 1.00 0.00 C ATOM 323 NH1 ARG A 55 37.742 27.308 9.728 1.00 0.00 N ATOM 324 NH2 ARG A 55 36.406 28.151 11.345 1.00 0.00 N ATOM 0 H ARG A 55 33.588 25.676 5.088 1.00 0.00 H new ATOM 0 HA ARG A 55 31.776 26.694 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.583 27.614 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 55 33.745 28.198 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.525 25.865 8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 55 34.292 25.243 7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 55 36.061 25.380 8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 55 36.312 26.758 7.582 1.00 0.00 H new ATOM 0 HE ARG A 55 34.582 27.624 9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 55 37.853 26.854 8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 55 38.564 27.559 10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 55 35.473 28.356 11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 55 37.228 28.402 11.894 1.00 0.00 H new ATOM 338 N GLY A 56 32.458 28.834 4.544 1.00 0.00 N ATOM 339 CA GLY A 56 31.974 30.106 3.938 1.00 0.00 C ATOM 340 C GLY A 56 30.544 29.916 3.428 1.00 0.00 C ATOM 341 O GLY A 56 29.746 30.832 3.435 1.00 0.00 O ATOM 0 H GLY A 56 33.190 28.354 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.005 30.908 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.628 30.402 3.118 1.00 0.00 H new ATOM 345 N ALA A 57 30.216 28.734 2.985 1.00 0.00 N ATOM 346 CA ALA A 57 28.838 28.484 2.476 1.00 0.00 C ATOM 347 C ALA A 57 27.856 28.473 3.651 1.00 0.00 C ATOM 348 O ALA A 57 26.676 28.711 3.488 1.00 0.00 O ATOM 349 CB ALA A 57 28.795 27.131 1.762 1.00 0.00 C ATOM 0 H ALA A 57 30.843 27.930 2.953 1.00 0.00 H new ATOM 0 HA ALA A 57 28.560 29.272 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.787 26.948 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.495 27.138 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.072 26.342 2.461 1.00 0.00 H new ATOM 355 N PHE A 58 28.336 28.196 4.832 1.00 0.00 N ATOM 356 CA PHE A 58 27.433 28.169 6.017 1.00 0.00 C ATOM 357 C PHE A 58 27.913 29.194 7.047 1.00 0.00 C ATOM 358 O PHE A 58 27.452 29.221 8.172 1.00 0.00 O ATOM 359 CB PHE A 58 27.457 26.771 6.640 1.00 0.00 C ATOM 360 CG PHE A 58 26.870 25.773 5.667 1.00 0.00 C ATOM 361 CD1 PHE A 58 27.676 25.212 4.670 1.00 0.00 C ATOM 362 CD2 PHE A 58 25.522 25.411 5.764 1.00 0.00 C ATOM 363 CE1 PHE A 58 27.134 24.287 3.770 1.00 0.00 C ATOM 364 CE2 PHE A 58 24.980 24.486 4.863 1.00 0.00 C ATOM 365 CZ PHE A 58 25.786 23.924 3.866 1.00 0.00 C ATOM 0 H PHE A 58 29.315 27.987 5.028 1.00 0.00 H new ATOM 0 HA PHE A 58 26.417 28.414 5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.480 26.491 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.888 26.766 7.570 1.00 0.00 H new ATOM 0 HD1 PHE A 58 28.716 25.493 4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.900 25.845 6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 58 27.756 23.853 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 58 23.940 24.206 4.937 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.368 23.211 3.171 1.00 0.00 H new ATOM 375 N SER A 59 28.843 30.030 6.675 1.00 0.00 N ATOM 376 CA SER A 59 29.364 31.047 7.632 1.00 0.00 C ATOM 377 C SER A 59 28.365 32.202 7.782 1.00 0.00 C ATOM 378 O SER A 59 27.967 32.543 8.878 1.00 0.00 O ATOM 379 CB SER A 59 30.695 31.594 7.112 1.00 0.00 C ATOM 380 OG SER A 59 30.948 32.861 7.700 1.00 0.00 O ATOM 0 H SER A 59 29.266 30.053 5.747 1.00 0.00 H new ATOM 0 HA SER A 59 29.508 30.576 8.605 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.503 30.902 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.664 31.685 6.026 1.00 0.00 H new ATOM 0 HG SER A 59 31.801 33.211 7.368 1.00 0.00 H new ATOM 386 N PRO A 60 27.964 32.825 6.661 1.00 0.00 N ATOM 387 CA PRO A 60 27.023 33.954 6.678 1.00 0.00 C ATOM 388 C PRO A 60 25.604 33.521 7.062 1.00 0.00 C ATOM 389 O PRO A 60 24.886 34.244 7.724 1.00 0.00 O ATOM 390 CB PRO A 60 27.043 34.460 5.236 1.00 0.00 C ATOM 391 CG PRO A 60 27.459 33.279 4.427 1.00 0.00 C ATOM 392 CD PRO A 60 28.392 32.480 5.293 1.00 0.00 C ATOM 0 HA PRO A 60 27.308 34.706 7.414 1.00 0.00 H new ATOM 0 HB2 PRO A 60 26.062 34.824 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 60 27.742 35.288 5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.594 32.684 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 60 27.954 33.593 3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.302 31.411 5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.434 32.749 5.117 1.00 0.00 H new ATOM 400 N PHE A 61 25.193 32.354 6.652 1.00 0.00 N ATOM 401 CA PHE A 61 23.820 31.889 6.996 1.00 0.00 C ATOM 402 C PHE A 61 23.654 31.857 8.517 1.00 0.00 C ATOM 403 O PHE A 61 22.617 32.206 9.044 1.00 0.00 O ATOM 404 CB PHE A 61 23.598 30.488 6.425 1.00 0.00 C ATOM 405 CG PHE A 61 23.418 30.582 4.930 1.00 0.00 C ATOM 406 CD1 PHE A 61 22.160 30.887 4.396 1.00 0.00 C ATOM 407 CD2 PHE A 61 24.508 30.367 4.079 1.00 0.00 C ATOM 408 CE1 PHE A 61 21.994 30.976 3.009 1.00 0.00 C ATOM 409 CE2 PHE A 61 24.342 30.457 2.693 1.00 0.00 C ATOM 410 CZ PHE A 61 23.084 30.762 2.158 1.00 0.00 C ATOM 0 H PHE A 61 25.747 31.703 6.095 1.00 0.00 H new ATOM 0 HA PHE A 61 23.088 32.574 6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.448 29.848 6.661 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.719 30.032 6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 61 21.319 31.053 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 61 25.478 30.132 4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 61 21.024 31.210 2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 61 25.183 30.291 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 61 22.955 30.832 1.088 1.00 0.00 H new ATOM 420 N GLY A 62 24.666 31.442 9.227 1.00 0.00 N ATOM 421 CA GLY A 62 24.561 31.391 10.712 1.00 0.00 C ATOM 422 C GLY A 62 25.870 30.859 11.299 1.00 0.00 C ATOM 423 O GLY A 62 26.766 30.459 10.584 1.00 0.00 O ATOM 0 H GLY A 62 25.560 31.136 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.351 32.385 11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.731 30.749 11.007 1.00 0.00 H new ATOM 427 N ASN A 63 25.986 30.851 12.599 1.00 0.00 N ATOM 428 CA ASN A 63 27.235 30.344 13.233 1.00 0.00 C ATOM 429 C ASN A 63 27.203 28.815 13.268 1.00 0.00 C ATOM 430 O ASN A 63 26.176 28.212 13.510 1.00 0.00 O ATOM 431 CB ASN A 63 27.338 30.886 14.659 1.00 0.00 C ATOM 432 CG ASN A 63 28.749 30.638 15.199 1.00 0.00 C ATOM 433 OD1 ASN A 63 29.597 30.121 14.500 1.00 0.00 O ATOM 434 ND2 ASN A 63 29.037 30.988 16.422 1.00 0.00 N ATOM 0 H ASN A 63 25.269 31.174 13.249 1.00 0.00 H new ATOM 0 HA ASN A 63 28.098 30.676 12.656 1.00 0.00 H new ATOM 0 HB2 ASN A 63 27.115 31.953 14.671 1.00 0.00 H new ATOM 0 HB3 ASN A 63 26.602 30.399 15.298 1.00 0.00 H new ATOM 0 HD21 ASN A 63 29.974 30.828 16.791 1.00 0.00 H new ATOM 0 HD22 ASN A 63 28.325 31.422 17.009 1.00 0.00 H new ATOM 441 N ILE A 64 28.318 28.182 13.026 1.00 0.00 N ATOM 442 CA ILE A 64 28.346 26.693 13.046 1.00 0.00 C ATOM 443 C ILE A 64 28.932 26.210 14.374 1.00 0.00 C ATOM 444 O ILE A 64 29.969 26.669 14.811 1.00 0.00 O ATOM 445 CB ILE A 64 29.210 26.185 11.889 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.627 26.683 10.563 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.226 24.655 11.897 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.620 26.407 9.432 1.00 0.00 C ATOM 0 H ILE A 64 29.209 28.631 12.816 1.00 0.00 H new ATOM 0 HA ILE A 64 27.332 26.308 12.938 1.00 0.00 H new ATOM 0 HB ILE A 64 30.228 26.558 12.003 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.680 26.183 10.360 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.417 27.751 10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.841 24.293 11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.639 24.300 12.841 1.00 0.00 H new ATOM 0 HG23 ILE A 64 28.209 24.280 11.782 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.205 26.762 8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.556 26.927 9.635 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.808 25.335 9.366 1.00 0.00 H new ATOM 460 N ILE A 65 28.273 25.288 15.022 1.00 0.00 N ATOM 461 CA ILE A 65 28.789 24.777 16.324 1.00 0.00 C ATOM 462 C ILE A 65 29.654 23.538 16.082 1.00 0.00 C ATOM 463 O ILE A 65 30.508 23.202 16.879 1.00 0.00 O ATOM 464 CB ILE A 65 27.611 24.406 17.227 1.00 0.00 C ATOM 465 CG1 ILE A 65 26.945 23.132 16.704 1.00 0.00 C ATOM 466 CG2 ILE A 65 26.593 25.549 17.231 1.00 0.00 C ATOM 467 CD1 ILE A 65 25.848 22.692 17.676 1.00 0.00 C ATOM 0 H ILE A 65 27.400 24.867 14.706 1.00 0.00 H new ATOM 0 HA ILE A 65 29.389 25.550 16.805 1.00 0.00 H new ATOM 0 HB ILE A 65 27.972 24.235 18.241 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.520 23.311 15.716 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.686 22.341 16.594 1.00 0.00 H new ATOM 0 HG21 ILE A 65 25.753 25.286 17.874 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.066 26.457 17.606 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.233 25.720 16.216 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.374 21.784 17.303 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.286 22.497 18.655 1.00 0.00 H new ATOM 0 HD13 ILE A 65 25.102 23.481 17.764 1.00 0.00 H new ATOM 479 N ASP A 66 29.440 22.855 14.992 1.00 0.00 N ATOM 480 CA ASP A 66 30.251 21.638 14.706 1.00 0.00 C ATOM 481 C ASP A 66 30.399 21.463 13.193 1.00 0.00 C ATOM 482 O ASP A 66 29.441 21.211 12.490 1.00 0.00 O ATOM 483 CB ASP A 66 29.551 20.410 15.293 1.00 0.00 C ATOM 484 CG ASP A 66 30.496 19.209 15.239 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.323 19.089 16.128 1.00 0.00 O ATOM 486 OD2 ASP A 66 30.377 18.428 14.308 1.00 0.00 O ATOM 0 H ASP A 66 28.740 23.086 14.287 1.00 0.00 H new ATOM 0 HA ASP A 66 31.238 21.747 15.157 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.253 20.606 16.323 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.641 20.195 14.733 1.00 0.00 H new ATOM 491 N LEU A 67 31.596 21.593 12.687 1.00 0.00 N ATOM 492 CA LEU A 67 31.807 21.430 11.221 1.00 0.00 C ATOM 493 C LEU A 67 32.464 20.074 10.951 1.00 0.00 C ATOM 494 O LEU A 67 33.569 19.814 11.381 1.00 0.00 O ATOM 495 CB LEU A 67 32.716 22.548 10.708 1.00 0.00 C ATOM 496 CG LEU A 67 32.468 22.761 9.214 1.00 0.00 C ATOM 497 CD1 LEU A 67 32.682 21.442 8.467 1.00 0.00 C ATOM 498 CD2 LEU A 67 31.030 23.240 9.000 1.00 0.00 C ATOM 0 H LEU A 67 32.436 21.805 13.226 1.00 0.00 H new ATOM 0 HA LEU A 67 30.847 21.480 10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.520 23.470 11.255 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.761 22.290 10.881 1.00 0.00 H new ATOM 0 HG LEU A 67 33.162 23.510 8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 67 32.505 21.594 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 67 33.705 21.099 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 67 31.988 20.692 8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 67 30.852 23.392 7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 67 30.336 22.490 9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.876 24.179 9.532 1.00 0.00 H new ATOM 510 N SER A 68 31.791 19.208 10.242 1.00 0.00 N ATOM 511 CA SER A 68 32.380 17.870 9.949 1.00 0.00 C ATOM 512 C SER A 68 32.313 17.599 8.445 1.00 0.00 C ATOM 513 O SER A 68 31.416 18.051 7.762 1.00 0.00 O ATOM 514 CB SER A 68 31.591 16.793 10.698 1.00 0.00 C ATOM 515 OG SER A 68 32.230 15.535 10.528 1.00 0.00 O ATOM 0 H SER A 68 30.861 19.369 9.854 1.00 0.00 H new ATOM 0 HA SER A 68 33.420 17.852 10.273 1.00 0.00 H new ATOM 0 HB2 SER A 68 31.530 17.042 11.757 1.00 0.00 H new ATOM 0 HB3 SER A 68 30.569 16.748 10.322 1.00 0.00 H new ATOM 0 HG SER A 68 31.727 14.845 11.009 1.00 0.00 H new ATOM 521 N MET A 69 33.256 16.863 7.923 1.00 0.00 N ATOM 522 CA MET A 69 33.247 16.561 6.464 1.00 0.00 C ATOM 523 C MET A 69 33.292 15.044 6.258 1.00 0.00 C ATOM 524 O MET A 69 33.866 14.320 7.045 1.00 0.00 O ATOM 525 CB MET A 69 34.468 17.203 5.802 1.00 0.00 C ATOM 526 CG MET A 69 34.309 18.725 5.806 1.00 0.00 C ATOM 527 SD MET A 69 35.621 19.471 4.808 1.00 0.00 S ATOM 528 CE MET A 69 35.015 18.919 3.194 1.00 0.00 C ATOM 0 H MET A 69 34.033 16.458 8.445 1.00 0.00 H new ATOM 0 HA MET A 69 32.339 16.962 6.015 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.375 16.920 6.336 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.573 16.840 4.780 1.00 0.00 H new ATOM 0 HG2 MET A 69 33.333 19.000 5.407 1.00 0.00 H new ATOM 0 HG3 MET A 69 34.354 19.103 6.827 1.00 0.00 H new ATOM 0 HE1 MET A 69 35.705 18.185 2.778 1.00 0.00 H new ATOM 0 HE2 MET A 69 34.030 18.467 3.310 1.00 0.00 H new ATOM 0 HE3 MET A 69 34.945 19.773 2.520 1.00 0.00 H new ATOM 538 N ASP A 70 32.690 14.559 5.207 1.00 0.00 N ATOM 539 CA ASP A 70 32.699 13.089 4.955 1.00 0.00 C ATOM 540 C ASP A 70 33.352 12.804 3.601 1.00 0.00 C ATOM 541 O ASP A 70 32.733 12.938 2.563 1.00 0.00 O ATOM 542 CB ASP A 70 31.261 12.564 4.949 1.00 0.00 C ATOM 543 CG ASP A 70 31.186 11.268 5.760 1.00 0.00 C ATOM 544 OD1 ASP A 70 31.883 11.175 6.756 1.00 0.00 O ATOM 545 OD2 ASP A 70 30.431 10.392 5.370 1.00 0.00 O ATOM 0 H ASP A 70 32.193 15.116 4.512 1.00 0.00 H new ATOM 0 HA ASP A 70 33.266 12.590 5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.589 13.310 5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 70 30.933 12.384 3.925 1.00 0.00 H new ATOM 550 N PRO A 71 34.633 12.403 3.617 1.00 0.00 N ATOM 551 CA PRO A 71 35.377 12.096 2.395 1.00 0.00 C ATOM 552 C PRO A 71 34.985 10.750 1.751 1.00 0.00 C ATOM 553 O PRO A 71 35.109 10.592 0.553 1.00 0.00 O ATOM 554 CB PRO A 71 36.833 12.061 2.858 1.00 0.00 C ATOM 555 CG PRO A 71 36.778 11.736 4.314 1.00 0.00 C ATOM 556 CD PRO A 71 35.448 12.223 4.833 1.00 0.00 C ATOM 0 HA PRO A 71 35.172 12.834 1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.402 11.311 2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.323 13.020 2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.882 10.663 4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.598 12.218 4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.996 11.500 5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.553 13.157 5.385 1.00 0.00 H new ATOM 564 N PRO A 72 34.507 9.757 2.535 1.00 0.00 N ATOM 565 CA PRO A 72 34.121 8.456 1.974 1.00 0.00 C ATOM 566 C PRO A 72 32.781 8.529 1.234 1.00 0.00 C ATOM 567 O PRO A 72 32.530 7.781 0.311 1.00 0.00 O ATOM 568 CB PRO A 72 33.987 7.555 3.197 1.00 0.00 C ATOM 569 CG PRO A 72 33.676 8.480 4.325 1.00 0.00 C ATOM 570 CD PRO A 72 34.305 9.807 3.997 1.00 0.00 C ATOM 0 HA PRO A 72 34.848 8.099 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 72 33.195 6.819 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 72 34.908 7.002 3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 72 32.598 8.585 4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.069 8.089 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.658 10.636 4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.249 9.943 4.526 1.00 0.00 H new ATOM 578 N ARG A 73 31.920 9.423 1.635 1.00 0.00 N ATOM 579 CA ARG A 73 30.597 9.540 0.957 1.00 0.00 C ATOM 580 C ARG A 73 30.547 10.836 0.146 1.00 0.00 C ATOM 581 O ARG A 73 29.559 11.142 -0.492 1.00 0.00 O ATOM 582 CB ARG A 73 29.485 9.554 2.009 1.00 0.00 C ATOM 583 CG ARG A 73 29.506 8.237 2.788 1.00 0.00 C ATOM 584 CD ARG A 73 28.325 8.201 3.761 1.00 0.00 C ATOM 585 NE ARG A 73 28.477 7.041 4.684 1.00 0.00 N ATOM 586 CZ ARG A 73 28.570 5.832 4.200 1.00 0.00 C ATOM 587 NH1 ARG A 73 27.571 5.315 3.537 1.00 0.00 N ATOM 588 NH2 ARG A 73 29.661 5.140 4.380 1.00 0.00 N ATOM 0 H ARG A 73 32.074 10.077 2.402 1.00 0.00 H new ATOM 0 HA ARG A 73 30.457 8.690 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 73 29.624 10.394 2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 73 28.516 9.690 1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 73 29.450 7.394 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 73 30.444 8.140 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 73 28.281 9.129 4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 73 27.388 8.120 3.210 1.00 0.00 H new ATOM 0 HE ARG A 73 28.508 7.191 5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 73 26.718 5.856 3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 73 27.644 4.370 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 73 30.441 5.543 4.899 1.00 0.00 H new ATOM 0 HH22 ARG A 73 29.734 4.195 4.002 1.00 0.00 H new ATOM 602 N ASN A 74 31.604 11.603 0.163 1.00 0.00 N ATOM 603 CA ASN A 74 31.611 12.877 -0.609 1.00 0.00 C ATOM 604 C ASN A 74 30.506 13.797 -0.088 1.00 0.00 C ATOM 605 O ASN A 74 29.816 14.448 -0.848 1.00 0.00 O ATOM 606 CB ASN A 74 31.367 12.576 -2.089 1.00 0.00 C ATOM 607 CG ASN A 74 32.521 11.734 -2.636 1.00 0.00 C ATOM 608 OD1 ASN A 74 33.574 11.661 -2.033 1.00 0.00 O ATOM 609 ND2 ASN A 74 32.369 11.091 -3.762 1.00 0.00 N ATOM 0 H ASN A 74 32.461 11.402 0.678 1.00 0.00 H new ATOM 0 HA ASN A 74 32.577 13.368 -0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.424 12.043 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 74 31.283 13.506 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 74 33.133 10.528 -4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 74 31.486 11.152 -4.269 1.00 0.00 H new ATOM 616 N CYS A 75 30.331 13.858 1.204 1.00 0.00 N ATOM 617 CA CYS A 75 29.270 14.737 1.771 1.00 0.00 C ATOM 618 C CYS A 75 29.784 15.405 3.047 1.00 0.00 C ATOM 619 O CYS A 75 30.417 14.779 3.875 1.00 0.00 O ATOM 620 CB CYS A 75 28.034 13.896 2.099 1.00 0.00 C ATOM 621 SG CYS A 75 28.454 12.680 3.372 1.00 0.00 S ATOM 0 H CYS A 75 30.877 13.337 1.891 1.00 0.00 H new ATOM 0 HA CYS A 75 29.007 15.504 1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.225 14.539 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.676 13.391 1.202 1.00 0.00 H new ATOM 0 HG CYS A 75 28.131 13.147 4.541 1.00 0.00 H new ATOM 627 N ALA A 76 29.518 16.672 3.213 1.00 0.00 N ATOM 628 CA ALA A 76 29.992 17.378 4.436 1.00 0.00 C ATOM 629 C ALA A 76 28.813 17.602 5.384 1.00 0.00 C ATOM 630 O ALA A 76 27.666 17.558 4.984 1.00 0.00 O ATOM 631 CB ALA A 76 30.595 18.729 4.045 1.00 0.00 C ATOM 0 H ALA A 76 28.993 17.248 2.555 1.00 0.00 H new ATOM 0 HA ALA A 76 30.750 16.773 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 76 30.942 19.245 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.435 18.570 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.838 19.335 3.547 1.00 0.00 H new ATOM 637 N PHE A 77 29.083 17.844 6.637 1.00 0.00 N ATOM 638 CA PHE A 77 27.975 18.070 7.607 1.00 0.00 C ATOM 639 C PHE A 77 28.173 19.418 8.303 1.00 0.00 C ATOM 640 O PHE A 77 29.237 19.717 8.808 1.00 0.00 O ATOM 641 CB PHE A 77 27.975 16.952 8.651 1.00 0.00 C ATOM 642 CG PHE A 77 27.621 15.643 7.985 1.00 0.00 C ATOM 643 CD1 PHE A 77 26.278 15.293 7.799 1.00 0.00 C ATOM 644 CD2 PHE A 77 28.635 14.779 7.556 1.00 0.00 C ATOM 645 CE1 PHE A 77 25.949 14.080 7.181 1.00 0.00 C ATOM 646 CE2 PHE A 77 28.307 13.565 6.939 1.00 0.00 C ATOM 647 CZ PHE A 77 26.964 13.217 6.752 1.00 0.00 C ATOM 0 H PHE A 77 30.022 17.895 7.031 1.00 0.00 H new ATOM 0 HA PHE A 77 27.023 18.072 7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 77 28.955 16.879 9.122 1.00 0.00 H new ATOM 0 HB3 PHE A 77 27.258 17.177 9.440 1.00 0.00 H new ATOM 0 HD1 PHE A 77 25.496 15.959 8.132 1.00 0.00 H new ATOM 0 HD2 PHE A 77 29.671 15.048 7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 77 24.913 13.811 7.036 1.00 0.00 H new ATOM 0 HE2 PHE A 77 29.089 12.898 6.608 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.711 12.281 6.276 1.00 0.00 H new ATOM 657 N VAL A 78 27.154 20.233 8.337 1.00 0.00 N ATOM 658 CA VAL A 78 27.284 21.560 9.002 1.00 0.00 C ATOM 659 C VAL A 78 26.238 21.675 10.112 1.00 0.00 C ATOM 660 O VAL A 78 25.078 21.370 9.918 1.00 0.00 O ATOM 661 CB VAL A 78 27.066 22.670 7.974 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.404 24.023 8.604 1.00 0.00 C ATOM 663 CG2 VAL A 78 27.971 22.431 6.765 1.00 0.00 C ATOM 0 H VAL A 78 26.238 20.037 7.933 1.00 0.00 H new ATOM 0 HA VAL A 78 28.281 21.657 9.431 1.00 0.00 H new ATOM 0 HB VAL A 78 26.024 22.668 7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.249 24.815 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.759 24.194 9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.446 24.025 8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.815 23.223 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 78 29.013 22.432 7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 78 27.730 21.468 6.315 1.00 0.00 H new ATOM 673 N THR A 79 26.637 22.113 11.274 1.00 0.00 N ATOM 674 CA THR A 79 25.662 22.245 12.393 1.00 0.00 C ATOM 675 C THR A 79 25.343 23.725 12.616 1.00 0.00 C ATOM 676 O THR A 79 26.221 24.564 12.624 1.00 0.00 O ATOM 677 CB THR A 79 26.268 21.655 13.669 1.00 0.00 C ATOM 678 OG1 THR A 79 26.883 20.412 13.367 1.00 0.00 O ATOM 679 CG2 THR A 79 25.168 21.445 14.709 1.00 0.00 C ATOM 0 H THR A 79 27.594 22.385 11.497 1.00 0.00 H new ATOM 0 HA THR A 79 24.746 21.709 12.145 1.00 0.00 H new ATOM 0 HB THR A 79 27.014 22.342 14.069 1.00 0.00 H new ATOM 0 HG1 THR A 79 27.758 20.571 12.955 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.601 21.025 15.617 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.698 22.401 14.940 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.419 20.759 14.313 1.00 0.00 H new ATOM 687 N TYR A 80 24.092 24.054 12.798 1.00 0.00 N ATOM 688 CA TYR A 80 23.725 25.480 13.018 1.00 0.00 C ATOM 689 C TYR A 80 23.144 25.650 14.423 1.00 0.00 C ATOM 690 O TYR A 80 22.299 24.890 14.852 1.00 0.00 O ATOM 691 CB TYR A 80 22.682 25.906 11.983 1.00 0.00 C ATOM 692 CG TYR A 80 23.376 26.503 10.783 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.432 27.405 10.960 1.00 0.00 C ATOM 694 CD2 TYR A 80 22.964 26.152 9.492 1.00 0.00 C ATOM 695 CE1 TYR A 80 25.076 27.955 9.845 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.607 26.703 8.378 1.00 0.00 C ATOM 697 CZ TYR A 80 24.664 27.604 8.555 1.00 0.00 C ATOM 698 OH TYR A 80 25.299 28.146 7.458 1.00 0.00 O ATOM 0 H TYR A 80 23.311 23.398 12.804 1.00 0.00 H new ATOM 0 HA TYR A 80 24.615 26.101 12.915 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.083 25.047 11.680 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.997 26.633 12.419 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.750 27.676 11.956 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.150 25.456 9.356 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.891 28.650 9.981 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.288 26.433 7.382 1.00 0.00 H new ATOM 0 HH TYR A 80 25.730 28.989 7.713 1.00 0.00 H new ATOM 708 N GLU A 81 23.591 26.642 15.141 1.00 0.00 N ATOM 709 CA GLU A 81 23.065 26.863 16.518 1.00 0.00 C ATOM 710 C GLU A 81 21.536 26.912 16.480 1.00 0.00 C ATOM 711 O GLU A 81 20.873 26.624 17.456 1.00 0.00 O ATOM 712 CB GLU A 81 23.603 28.188 17.060 1.00 0.00 C ATOM 713 CG GLU A 81 23.296 28.290 18.555 1.00 0.00 C ATOM 714 CD GLU A 81 23.718 29.668 19.068 1.00 0.00 C ATOM 715 OE1 GLU A 81 24.246 30.436 18.281 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.506 29.933 20.240 1.00 0.00 O ATOM 0 H GLU A 81 24.298 27.310 14.834 1.00 0.00 H new ATOM 0 HA GLU A 81 23.386 26.046 17.165 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.678 28.251 16.894 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.148 29.023 16.527 1.00 0.00 H new ATOM 0 HG2 GLU A 81 22.231 28.135 18.730 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.826 27.509 19.100 1.00 0.00 H new ATOM 723 N LYS A 82 20.970 27.277 15.363 1.00 0.00 N ATOM 724 CA LYS A 82 19.485 27.344 15.268 1.00 0.00 C ATOM 725 C LYS A 82 19.023 26.681 13.969 1.00 0.00 C ATOM 726 O LYS A 82 19.561 26.930 12.908 1.00 0.00 O ATOM 727 CB LYS A 82 19.041 28.807 15.280 1.00 0.00 C ATOM 728 CG LYS A 82 19.408 29.441 16.623 1.00 0.00 C ATOM 729 CD LYS A 82 18.815 30.849 16.703 1.00 0.00 C ATOM 730 CE LYS A 82 19.330 31.550 17.962 1.00 0.00 C ATOM 731 NZ LYS A 82 18.882 30.798 19.169 1.00 0.00 N ATOM 0 H LYS A 82 21.472 27.532 14.512 1.00 0.00 H new ATOM 0 HA LYS A 82 19.043 26.822 16.117 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.521 29.350 14.466 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.965 28.873 15.117 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.030 28.829 17.442 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.492 29.485 16.732 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.090 31.422 15.817 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.726 30.796 16.723 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.418 31.608 17.940 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.957 32.574 17.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.036 31.379 20.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.870 30.574 19.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.426 29.916 19.250 1.00 0.00 H new ATOM 745 N MET A 83 18.032 25.836 14.044 1.00 0.00 N ATOM 746 CA MET A 83 17.534 25.155 12.816 1.00 0.00 C ATOM 747 C MET A 83 17.107 26.202 11.784 1.00 0.00 C ATOM 748 O MET A 83 16.980 25.914 10.610 1.00 0.00 O ATOM 749 CB MET A 83 16.335 24.272 13.172 1.00 0.00 C ATOM 750 CG MET A 83 15.315 25.092 13.965 1.00 0.00 C ATOM 751 SD MET A 83 14.509 24.028 15.189 1.00 0.00 S ATOM 752 CE MET A 83 15.249 24.775 16.662 1.00 0.00 C ATOM 0 H MET A 83 17.545 25.587 14.905 1.00 0.00 H new ATOM 0 HA MET A 83 18.329 24.538 12.398 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.876 23.880 12.264 1.00 0.00 H new ATOM 0 HB3 MET A 83 16.663 23.414 13.759 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.810 25.926 14.462 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.572 25.518 13.291 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.884 24.263 17.552 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.334 24.684 16.610 1.00 0.00 H new ATOM 0 HE3 MET A 83 14.976 25.829 16.712 1.00 0.00 H new ATOM 762 N GLU A 84 16.884 27.415 12.211 1.00 0.00 N ATOM 763 CA GLU A 84 16.464 28.476 11.252 1.00 0.00 C ATOM 764 C GLU A 84 17.601 28.754 10.268 1.00 0.00 C ATOM 765 O GLU A 84 17.379 28.963 9.091 1.00 0.00 O ATOM 766 CB GLU A 84 16.131 29.755 12.023 1.00 0.00 C ATOM 767 CG GLU A 84 14.866 29.533 12.854 1.00 0.00 C ATOM 768 CD GLU A 84 14.594 30.774 13.708 1.00 0.00 C ATOM 769 OE1 GLU A 84 15.405 31.684 13.672 1.00 0.00 O ATOM 770 OE2 GLU A 84 13.577 30.792 14.383 1.00 0.00 O ATOM 0 H GLU A 84 16.974 27.717 13.181 1.00 0.00 H new ATOM 0 HA GLU A 84 15.583 28.143 10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.963 30.028 12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.983 30.583 11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.017 29.336 12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.986 28.658 13.493 1.00 0.00 H new ATOM 777 N SER A 85 18.818 28.761 10.737 1.00 0.00 N ATOM 778 CA SER A 85 19.967 29.028 9.828 1.00 0.00 C ATOM 779 C SER A 85 20.058 27.918 8.778 1.00 0.00 C ATOM 780 O SER A 85 20.324 28.166 7.619 1.00 0.00 O ATOM 781 CB SER A 85 21.262 29.067 10.641 1.00 0.00 C ATOM 782 OG SER A 85 22.376 29.033 9.762 1.00 0.00 O ATOM 0 H SER A 85 19.066 28.593 11.712 1.00 0.00 H new ATOM 0 HA SER A 85 19.820 29.987 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.294 29.970 11.250 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.300 28.219 11.325 1.00 0.00 H new ATOM 0 HG SER A 85 22.806 28.154 9.813 1.00 0.00 H new ATOM 788 N ALA A 86 19.842 26.694 9.175 1.00 0.00 N ATOM 789 CA ALA A 86 19.918 25.569 8.200 1.00 0.00 C ATOM 790 C ALA A 86 18.868 25.769 7.105 1.00 0.00 C ATOM 791 O ALA A 86 19.123 25.542 5.938 1.00 0.00 O ATOM 792 CB ALA A 86 19.654 24.247 8.925 1.00 0.00 C ATOM 0 H ALA A 86 19.616 26.424 10.132 1.00 0.00 H new ATOM 0 HA ALA A 86 20.911 25.545 7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.709 23.424 8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.403 24.104 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 86 18.662 24.271 9.375 1.00 0.00 H new ATOM 798 N ASP A 87 17.688 26.188 7.470 1.00 0.00 N ATOM 799 CA ASP A 87 16.623 26.400 6.449 1.00 0.00 C ATOM 800 C ASP A 87 17.064 27.486 5.465 1.00 0.00 C ATOM 801 O ASP A 87 16.919 27.347 4.266 1.00 0.00 O ATOM 802 CB ASP A 87 15.332 26.835 7.143 1.00 0.00 C ATOM 803 CG ASP A 87 14.181 26.824 6.133 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.405 26.391 5.015 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.097 27.249 6.497 1.00 0.00 O ATOM 0 H ASP A 87 17.415 26.393 8.431 1.00 0.00 H new ATOM 0 HA ASP A 87 16.450 25.470 5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.109 26.164 7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.451 27.833 7.564 1.00 0.00 H new ATOM 810 N GLN A 88 17.598 28.569 5.961 1.00 0.00 N ATOM 811 CA GLN A 88 18.043 29.663 5.053 1.00 0.00 C ATOM 812 C GLN A 88 19.200 29.168 4.182 1.00 0.00 C ATOM 813 O GLN A 88 19.306 29.512 3.021 1.00 0.00 O ATOM 814 CB GLN A 88 18.511 30.858 5.887 1.00 0.00 C ATOM 815 CG GLN A 88 18.877 32.018 4.957 1.00 0.00 C ATOM 816 CD GLN A 88 19.258 33.241 5.793 1.00 0.00 C ATOM 817 OE1 GLN A 88 19.135 33.227 7.002 1.00 0.00 O ATOM 818 NE2 GLN A 88 19.718 34.307 5.197 1.00 0.00 N ATOM 0 H GLN A 88 17.745 28.743 6.955 1.00 0.00 H new ATOM 0 HA GLN A 88 17.212 29.965 4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.724 31.165 6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.373 30.577 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.708 31.732 4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.035 32.256 4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.821 34.319 4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.974 35.128 5.746 1.00 0.00 H new ATOM 827 N ALA A 89 20.070 28.366 4.732 1.00 0.00 N ATOM 828 CA ALA A 89 21.219 27.854 3.934 1.00 0.00 C ATOM 829 C ALA A 89 20.736 26.755 2.985 1.00 0.00 C ATOM 830 O ALA A 89 21.075 26.736 1.818 1.00 0.00 O ATOM 831 CB ALA A 89 22.281 27.285 4.877 1.00 0.00 C ATOM 0 H ALA A 89 20.035 28.043 5.699 1.00 0.00 H new ATOM 0 HA ALA A 89 21.648 28.670 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.122 26.910 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 89 22.627 28.069 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 89 21.851 26.470 5.459 1.00 0.00 H new ATOM 837 N VAL A 90 19.948 25.838 3.475 1.00 0.00 N ATOM 838 CA VAL A 90 19.447 24.741 2.601 1.00 0.00 C ATOM 839 C VAL A 90 18.709 25.337 1.400 1.00 0.00 C ATOM 840 O VAL A 90 18.710 24.779 0.320 1.00 0.00 O ATOM 841 CB VAL A 90 18.487 23.853 3.398 1.00 0.00 C ATOM 842 CG1 VAL A 90 17.825 22.842 2.458 1.00 0.00 C ATOM 843 CG2 VAL A 90 19.266 23.106 4.482 1.00 0.00 C ATOM 0 H VAL A 90 19.629 25.801 4.443 1.00 0.00 H new ATOM 0 HA VAL A 90 20.290 24.146 2.249 1.00 0.00 H new ATOM 0 HB VAL A 90 17.720 24.473 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.142 22.210 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.270 23.373 1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.591 22.222 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.584 22.474 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.033 22.486 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 90 19.737 23.825 5.152 1.00 0.00 H new ATOM 853 N ALA A 91 18.076 26.464 1.579 1.00 0.00 N ATOM 854 CA ALA A 91 17.335 27.092 0.447 1.00 0.00 C ATOM 855 C ALA A 91 18.315 27.837 -0.462 1.00 0.00 C ATOM 856 O ALA A 91 18.345 27.631 -1.659 1.00 0.00 O ATOM 857 CB ALA A 91 16.306 28.079 0.999 1.00 0.00 C ATOM 0 H ALA A 91 18.040 26.977 2.460 1.00 0.00 H new ATOM 0 HA ALA A 91 16.829 26.316 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.763 28.539 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.604 27.550 1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.816 28.852 1.574 1.00 0.00 H new ATOM 863 N GLU A 92 19.111 28.707 0.094 1.00 0.00 N ATOM 864 CA GLU A 92 20.082 29.470 -0.741 1.00 0.00 C ATOM 865 C GLU A 92 21.205 28.541 -1.206 1.00 0.00 C ATOM 866 O GLU A 92 21.610 28.569 -2.352 1.00 0.00 O ATOM 867 CB GLU A 92 20.676 30.612 0.086 1.00 0.00 C ATOM 868 CG GLU A 92 19.559 31.562 0.524 1.00 0.00 C ATOM 869 CD GLU A 92 18.910 32.190 -0.711 1.00 0.00 C ATOM 870 OE1 GLU A 92 19.503 32.112 -1.774 1.00 0.00 O ATOM 871 OE2 GLU A 92 17.828 32.739 -0.573 1.00 0.00 O ATOM 0 H GLU A 92 19.132 28.923 1.091 1.00 0.00 H new ATOM 0 HA GLU A 92 19.567 29.877 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 92 21.191 30.212 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.418 31.153 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 92 18.812 31.020 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 92 19.962 32.340 1.172 1.00 0.00 H new ATOM 878 N LEU A 93 21.715 27.720 -0.330 1.00 0.00 N ATOM 879 CA LEU A 93 22.813 26.794 -0.729 1.00 0.00 C ATOM 880 C LEU A 93 22.291 25.803 -1.771 1.00 0.00 C ATOM 881 O LEU A 93 22.968 25.476 -2.726 1.00 0.00 O ATOM 882 CB LEU A 93 23.309 26.030 0.500 1.00 0.00 C ATOM 883 CG LEU A 93 23.840 27.021 1.538 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.550 26.255 2.657 1.00 0.00 C ATOM 885 CD2 LEU A 93 24.828 27.979 0.869 1.00 0.00 C ATOM 0 H LEU A 93 21.420 27.650 0.644 1.00 0.00 H new ATOM 0 HA LEU A 93 23.636 27.368 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.498 25.440 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.095 25.331 0.214 1.00 0.00 H new ATOM 0 HG LEU A 93 23.010 27.589 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 93 24.929 26.960 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.847 25.572 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.381 25.687 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.207 28.685 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 93 25.659 27.411 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 93 24.323 28.524 0.071 1.00 0.00 H new ATOM 897 N ASN A 94 21.092 25.321 -1.595 1.00 0.00 N ATOM 898 CA ASN A 94 20.527 24.352 -2.575 1.00 0.00 C ATOM 899 C ASN A 94 20.268 25.063 -3.905 1.00 0.00 C ATOM 900 O ASN A 94 19.590 26.070 -3.961 1.00 0.00 O ATOM 901 CB ASN A 94 19.213 23.788 -2.035 1.00 0.00 C ATOM 902 CG ASN A 94 18.678 22.728 -3.000 1.00 0.00 C ATOM 903 OD1 ASN A 94 19.231 22.523 -4.063 1.00 0.00 O ATOM 904 ND2 ASN A 94 17.619 22.039 -2.673 1.00 0.00 N ATOM 0 H ASN A 94 20.479 25.556 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 94 21.235 23.538 -2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.370 23.351 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.483 24.589 -1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.256 21.329 -3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.154 22.210 -1.781 1.00 0.00 H new ATOM 911 N GLY A 95 20.803 24.547 -4.978 1.00 0.00 N ATOM 912 CA GLY A 95 20.586 25.194 -6.303 1.00 0.00 C ATOM 913 C GLY A 95 21.741 26.151 -6.600 1.00 0.00 C ATOM 914 O GLY A 95 21.610 27.072 -7.381 1.00 0.00 O ATOM 0 H GLY A 95 21.380 23.706 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.519 24.436 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.641 25.737 -6.304 1.00 0.00 H new ATOM 918 N THR A 96 22.872 25.941 -5.984 1.00 0.00 N ATOM 919 CA THR A 96 24.033 26.841 -6.232 1.00 0.00 C ATOM 920 C THR A 96 25.122 26.073 -6.984 1.00 0.00 C ATOM 921 O THR A 96 25.155 24.859 -6.978 1.00 0.00 O ATOM 922 CB THR A 96 24.591 27.339 -4.897 1.00 0.00 C ATOM 923 OG1 THR A 96 25.232 26.264 -4.224 1.00 0.00 O ATOM 924 CG2 THR A 96 23.449 27.876 -4.034 1.00 0.00 C ATOM 0 H THR A 96 23.042 25.186 -5.320 1.00 0.00 H new ATOM 0 HA THR A 96 23.709 27.693 -6.830 1.00 0.00 H new ATOM 0 HB THR A 96 25.312 28.136 -5.078 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.594 25.829 -3.620 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.847 28.231 -3.083 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.958 28.700 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.726 27.081 -3.851 1.00 0.00 H new ATOM 932 N GLN A 97 26.013 26.772 -7.633 1.00 0.00 N ATOM 933 CA GLN A 97 27.099 26.083 -8.384 1.00 0.00 C ATOM 934 C GLN A 97 28.429 26.789 -8.120 1.00 0.00 C ATOM 935 O GLN A 97 28.476 27.983 -7.900 1.00 0.00 O ATOM 936 CB GLN A 97 26.788 26.125 -9.881 1.00 0.00 C ATOM 937 CG GLN A 97 27.832 25.302 -10.641 1.00 0.00 C ATOM 938 CD GLN A 97 27.573 25.416 -12.145 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.570 25.958 -12.563 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.446 24.924 -12.983 1.00 0.00 N ATOM 0 H GLN A 97 26.035 27.791 -7.675 1.00 0.00 H new ATOM 0 HA GLN A 97 27.167 25.046 -8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.790 25.728 -10.068 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.793 27.156 -10.236 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.835 25.659 -10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.784 24.258 -10.331 1.00 0.00 H new ATOM 0 HE21 GLN A 97 29.289 24.469 -12.633 1.00 0.00 H new ATOM 0 HE22 GLN A 97 28.285 24.995 -13.988 1.00 0.00 H new ATOM 949 N VAL A 98 29.513 26.062 -8.140 1.00 0.00 N ATOM 950 CA VAL A 98 30.839 26.694 -7.891 1.00 0.00 C ATOM 951 C VAL A 98 31.558 26.899 -9.227 1.00 0.00 C ATOM 952 O VAL A 98 30.937 27.059 -10.258 1.00 0.00 O ATOM 953 CB VAL A 98 31.679 25.786 -6.987 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.643 26.639 -6.159 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.759 25.004 -6.046 1.00 0.00 C ATOM 0 H VAL A 98 29.537 25.058 -8.318 1.00 0.00 H new ATOM 0 HA VAL A 98 30.699 27.657 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 98 32.246 25.089 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 98 33.240 25.993 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 98 33.301 27.196 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 98 32.075 27.337 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.359 24.359 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 98 30.191 25.701 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 98 30.072 24.394 -6.633 1.00 0.00 H new ATOM 965 N GLU A 99 32.863 26.898 -9.219 1.00 0.00 N ATOM 966 CA GLU A 99 33.615 27.093 -10.491 1.00 0.00 C ATOM 967 C GLU A 99 33.043 26.168 -11.567 1.00 0.00 C ATOM 968 O GLU A 99 32.885 26.552 -12.709 1.00 0.00 O ATOM 969 CB GLU A 99 35.092 26.765 -10.267 1.00 0.00 C ATOM 970 CG GLU A 99 35.686 27.750 -9.260 1.00 0.00 C ATOM 971 CD GLU A 99 37.188 27.490 -9.116 1.00 0.00 C ATOM 972 OE1 GLU A 99 37.647 26.489 -9.637 1.00 0.00 O ATOM 973 OE2 GLU A 99 37.850 28.298 -8.486 1.00 0.00 O ATOM 0 H GLU A 99 33.440 26.771 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 99 33.520 28.129 -10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.197 25.744 -9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.635 26.821 -11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 99 35.514 28.774 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 99 35.193 27.641 -8.294 1.00 0.00 H new ATOM 980 N SER A 100 32.731 24.952 -11.213 1.00 0.00 N ATOM 981 CA SER A 100 32.170 24.003 -12.216 1.00 0.00 C ATOM 982 C SER A 100 31.573 22.793 -11.496 1.00 0.00 C ATOM 983 O SER A 100 31.484 21.713 -12.046 1.00 0.00 O ATOM 984 CB SER A 100 33.282 23.539 -13.157 1.00 0.00 C ATOM 985 OG SER A 100 33.387 24.441 -14.249 1.00 0.00 O ATOM 0 H SER A 100 32.840 24.574 -10.272 1.00 0.00 H new ATOM 0 HA SER A 100 31.392 24.503 -12.792 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.230 23.489 -12.620 1.00 0.00 H new ATOM 0 HB3 SER A 100 33.069 22.534 -13.521 1.00 0.00 H new ATOM 0 HG SER A 100 33.295 25.361 -13.923 1.00 0.00 H new ATOM 991 N VAL A 101 31.164 22.963 -10.268 1.00 0.00 N ATOM 992 CA VAL A 101 30.576 21.821 -9.513 1.00 0.00 C ATOM 993 C VAL A 101 29.247 22.249 -8.885 1.00 0.00 C ATOM 994 O VAL A 101 29.110 23.349 -8.389 1.00 0.00 O ATOM 995 CB VAL A 101 31.547 21.393 -8.413 1.00 0.00 C ATOM 996 CG1 VAL A 101 31.560 22.447 -7.303 1.00 0.00 C ATOM 997 CG2 VAL A 101 31.105 20.048 -7.834 1.00 0.00 C ATOM 0 H VAL A 101 31.212 23.844 -9.755 1.00 0.00 H new ATOM 0 HA VAL A 101 30.400 20.987 -10.192 1.00 0.00 H new ATOM 0 HB VAL A 101 32.548 21.295 -8.833 1.00 0.00 H new ATOM 0 HG11 VAL A 101 32.253 22.141 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 101 31.878 23.405 -7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 101 30.559 22.547 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 101 31.798 19.744 -7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 101 30.103 20.144 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 101 31.098 19.297 -8.624 1.00 0.00 H new ATOM 1007 N GLN A 102 28.268 21.386 -8.900 1.00 0.00 N ATOM 1008 CA GLN A 102 26.951 21.743 -8.302 1.00 0.00 C ATOM 1009 C GLN A 102 26.970 21.421 -6.806 1.00 0.00 C ATOM 1010 O GLN A 102 27.528 20.428 -6.384 1.00 0.00 O ATOM 1011 CB GLN A 102 25.846 20.935 -8.984 1.00 0.00 C ATOM 1012 CG GLN A 102 25.744 21.349 -10.454 1.00 0.00 C ATOM 1013 CD GLN A 102 24.610 20.575 -11.126 1.00 0.00 C ATOM 1014 OE1 GLN A 102 24.120 19.603 -10.587 1.00 0.00 O ATOM 1015 NE2 GLN A 102 24.167 20.968 -12.289 1.00 0.00 N ATOM 0 H GLN A 102 28.324 20.450 -9.300 1.00 0.00 H new ATOM 0 HA GLN A 102 26.762 22.807 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.061 19.869 -8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 102 24.894 21.104 -8.481 1.00 0.00 H new ATOM 0 HG2 GLN A 102 25.561 22.421 -10.529 1.00 0.00 H new ATOM 0 HG3 GLN A 102 26.686 21.150 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 102 24.578 21.784 -12.742 1.00 0.00 H new ATOM 0 HE22 GLN A 102 23.410 20.459 -12.745 1.00 0.00 H new ATOM 1024 N LEU A 103 26.367 22.252 -6.001 1.00 0.00 N ATOM 1025 CA LEU A 103 26.357 21.991 -4.534 1.00 0.00 C ATOM 1026 C LEU A 103 24.964 21.530 -4.100 1.00 0.00 C ATOM 1027 O LEU A 103 23.961 22.067 -4.524 1.00 0.00 O ATOM 1028 CB LEU A 103 26.725 23.274 -3.786 1.00 0.00 C ATOM 1029 CG LEU A 103 28.190 23.621 -4.058 1.00 0.00 C ATOM 1030 CD1 LEU A 103 28.560 24.899 -3.303 1.00 0.00 C ATOM 1031 CD2 LEU A 103 29.082 22.472 -3.585 1.00 0.00 C ATOM 0 H LEU A 103 25.881 23.099 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 103 27.083 21.211 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 103 26.081 24.092 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 103 26.564 23.143 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 103 28.335 23.776 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 103 29.604 25.147 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 103 27.924 25.718 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 103 28.416 24.744 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 103 30.126 22.718 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 103 28.938 22.316 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 103 28.818 21.561 -4.123 1.00 0.00 H new ATOM 1043 N LYS A 104 24.896 20.540 -3.252 1.00 0.00 N ATOM 1044 CA LYS A 104 23.570 20.044 -2.785 1.00 0.00 C ATOM 1045 C LYS A 104 23.476 20.209 -1.267 1.00 0.00 C ATOM 1046 O LYS A 104 24.402 19.904 -0.541 1.00 0.00 O ATOM 1047 CB LYS A 104 23.422 18.565 -3.147 1.00 0.00 C ATOM 1048 CG LYS A 104 23.421 18.412 -4.669 1.00 0.00 C ATOM 1049 CD LYS A 104 23.165 16.948 -5.034 1.00 0.00 C ATOM 1050 CE LYS A 104 23.319 16.765 -6.544 1.00 0.00 C ATOM 1051 NZ LYS A 104 21.999 16.965 -7.206 1.00 0.00 N ATOM 0 H LYS A 104 25.703 20.053 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 104 22.776 20.615 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 104 24.240 17.989 -2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 104 22.496 18.168 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.652 19.047 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 104 24.377 18.738 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 104 23.866 16.302 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 104 22.163 16.654 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 104 24.046 17.477 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 104 23.700 15.768 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 22.103 16.841 -8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.318 16.269 -6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 21.653 17.925 -7.007 1.00 0.00 H new ATOM 1065 N VAL A 105 22.367 20.693 -0.780 1.00 0.00 N ATOM 1066 CA VAL A 105 22.221 20.880 0.691 1.00 0.00 C ATOM 1067 C VAL A 105 20.993 20.113 1.187 1.00 0.00 C ATOM 1068 O VAL A 105 19.996 20.006 0.502 1.00 0.00 O ATOM 1069 CB VAL A 105 22.052 22.368 1.002 1.00 0.00 C ATOM 1070 CG1 VAL A 105 21.990 22.570 2.517 1.00 0.00 C ATOM 1071 CG2 VAL A 105 23.241 23.145 0.430 1.00 0.00 C ATOM 0 H VAL A 105 21.557 20.967 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 105 23.111 20.502 1.193 1.00 0.00 H new ATOM 0 HB VAL A 105 21.129 22.732 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.870 23.631 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 105 21.144 22.016 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 105 22.912 22.207 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 105 23.122 24.206 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 105 24.164 22.781 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 105 23.284 23.002 -0.650 1.00 0.00 H new