USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1005 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 87 LYS NZ :NH3+ 173:sc= 0.822 (180deg=0) USER MOD Set 1.2: A 136 THR OG1 : rot 79:sc= 1.56 USER MOD Set 2.1: A 46 THR OG1 : rot 87:sc= 1.26 USER MOD Set 2.2: A 81 TYR OH : rot 180:sc= -0.0424 USER MOD Set 3.1: A 74 ASN : amide:sc= -0.507 X(o=-0.11,f=0.012) USER MOD Set 3.2: A 77 SER OG : rot 180:sc= 0.396 USER MOD Set 4.1: A 64 ASN : amide:sc= 0.619 K(o=1.7,f=0.47) USER MOD Set 4.2: A 68 LYS NZ :NH3+ -175:sc= 1.09 (180deg=0.991) USER MOD Set 5.1: A 21 SER OG : rot 91:sc= 1.2 USER MOD Set 5.2: A 53 LYS NZ :NH3+ -163:sc= 0.509 (180deg=-0.209!) USER MOD Set 6.1: A 28 GLN : amide:sc= 2.01 K(o=4.4,f=-6.5!) USER MOD Set 6.2: A 47 LYS NZ :NH3+ -143:sc= 2.38 (180deg=0.863) USER MOD Single : A 4 ASN : amide:sc= 0.968 K(o=0.97,f=-0.47) USER MOD Single : A 5 HIS : no HD1:sc= -0.613 X(o=-0.61,f=-0.48) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 80:sc= 1.21 USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 16 MET CE :methyl 156:sc= 0 (180deg=-0.0726) USER MOD Single : A 23 HIS : no HD1:sc= -0.0929 X(o=-0.093,f=-0.0094) USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 1.32 (180deg=1.29) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 1.06 (180deg=1.03) USER MOD Single : A 40 GLN : amide:sc= -0.766 K(o=-0.77,f=0) USER MOD Single : A 42 SER OG : rot 76:sc= 1.28 USER MOD Single : A 44 SER OG : rot 74:sc= 1.06 USER MOD Single : A 54 SER OG : rot 162:sc= 1.86 USER MOD Single : A 55 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -168:sc= 0.62 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.54) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -81:sc= 1.11 USER MOD Single : A 89 SER OG : rot 72:sc= 1.22 USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0171) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0588 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.02) USER MOD Single : A 105 GLN : amide:sc= -0.067 X(o=-0.067,f=-0.067) USER MOD Single : A 107 GLN : amide:sc= 0.34 X(o=0.34,f=-0.063) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASN A 4 5.210 8.880 4.696 1.00 0.00 N ATOM 53 CA ASN A 4 6.101 10.038 4.804 1.00 0.00 C ATOM 54 C ASN A 4 6.914 10.109 6.097 1.00 0.00 C ATOM 55 O ASN A 4 7.921 10.810 6.137 1.00 0.00 O ATOM 56 CB ASN A 4 5.299 11.338 4.615 1.00 0.00 C ATOM 57 CG ASN A 4 6.181 12.519 4.205 1.00 0.00 C ATOM 58 OD1 ASN A 4 7.057 12.387 3.355 1.00 0.00 O ATOM 59 ND2 ASN A 4 5.931 13.702 4.738 1.00 0.00 N ATOM 0 HA ASN A 4 6.834 9.914 4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.533 11.181 3.856 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.783 11.580 5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.468 14.518 4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.201 13.800 5.443 1.00 0.00 H new ATOM 66 N HIS A 5 6.511 9.388 7.145 1.00 0.00 N ATOM 67 CA HIS A 5 7.232 9.336 8.415 1.00 0.00 C ATOM 68 C HIS A 5 8.658 8.803 8.221 1.00 0.00 C ATOM 69 O HIS A 5 9.613 9.417 8.703 1.00 0.00 O ATOM 70 CB HIS A 5 6.431 8.509 9.438 1.00 0.00 C ATOM 71 CG HIS A 5 5.868 7.208 8.908 1.00 0.00 C ATOM 72 ND1 HIS A 5 6.517 5.996 8.833 1.00 0.00 N ATOM 73 CD2 HIS A 5 4.613 7.022 8.388 1.00 0.00 C ATOM 74 CE1 HIS A 5 5.682 5.110 8.263 1.00 0.00 C ATOM 75 NE2 HIS A 5 4.505 5.691 7.968 1.00 0.00 N ATOM 0 H HIS A 5 5.665 8.818 7.134 1.00 0.00 H new ATOM 0 HA HIS A 5 7.332 10.347 8.810 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.075 8.289 10.289 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.608 9.119 9.811 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.841 7.773 8.315 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.923 4.075 8.069 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.697 5.251 7.527 1.00 0.00 H new ATOM 83 N GLU A 6 8.831 7.709 7.467 1.00 0.00 N ATOM 84 CA GLU A 6 10.168 7.190 7.164 1.00 0.00 C ATOM 85 C GLU A 6 10.918 8.169 6.266 1.00 0.00 C ATOM 86 O GLU A 6 12.133 8.299 6.374 1.00 0.00 O ATOM 87 CB GLU A 6 10.103 5.829 6.457 1.00 0.00 C ATOM 88 CG GLU A 6 9.808 4.677 7.423 1.00 0.00 C ATOM 89 CD GLU A 6 9.769 3.340 6.674 1.00 0.00 C ATOM 90 OE1 GLU A 6 10.828 2.869 6.200 1.00 0.00 O ATOM 91 OE2 GLU A 6 8.666 2.774 6.505 1.00 0.00 O ATOM 0 H GLU A 6 8.067 7.171 7.059 1.00 0.00 H new ATOM 0 HA GLU A 6 10.689 7.067 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.331 5.860 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.050 5.641 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.572 4.642 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.854 4.849 7.921 1.00 0.00 H new ATOM 98 N ILE A 7 10.209 8.863 5.381 1.00 0.00 N ATOM 99 CA ILE A 7 10.836 9.711 4.385 1.00 0.00 C ATOM 100 C ILE A 7 11.410 10.956 5.068 1.00 0.00 C ATOM 101 O ILE A 7 12.547 11.326 4.798 1.00 0.00 O ATOM 102 CB ILE A 7 9.809 10.066 3.283 1.00 0.00 C ATOM 103 CG1 ILE A 7 9.037 8.852 2.709 1.00 0.00 C ATOM 104 CG2 ILE A 7 10.466 10.886 2.167 1.00 0.00 C ATOM 105 CD1 ILE A 7 9.818 7.872 1.830 1.00 0.00 C ATOM 0 H ILE A 7 9.190 8.851 5.338 1.00 0.00 H new ATOM 0 HA ILE A 7 11.662 9.187 3.904 1.00 0.00 H new ATOM 0 HB ILE A 7 9.052 10.676 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.618 8.293 3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.198 9.232 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.724 11.123 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.867 11.810 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.275 10.309 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.155 7.073 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.215 8.398 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.641 7.446 2.403 1.00 0.00 H new ATOM 117 N ASP A 8 10.677 11.571 6.000 1.00 0.00 N ATOM 118 CA ASP A 8 11.178 12.681 6.814 1.00 0.00 C ATOM 119 C ASP A 8 12.378 12.251 7.666 1.00 0.00 C ATOM 120 O ASP A 8 13.337 13.013 7.825 1.00 0.00 O ATOM 121 CB ASP A 8 10.058 13.202 7.719 1.00 0.00 C ATOM 122 CG ASP A 8 10.573 14.303 8.659 1.00 0.00 C ATOM 123 OD1 ASP A 8 10.771 15.450 8.200 1.00 0.00 O ATOM 124 OD2 ASP A 8 10.740 14.038 9.871 1.00 0.00 O ATOM 0 H ASP A 8 9.714 11.311 6.212 1.00 0.00 H new ATOM 0 HA ASP A 8 11.508 13.474 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.244 13.593 7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.649 12.380 8.306 1.00 0.00 H new ATOM 129 N THR A 9 12.355 11.007 8.154 1.00 0.00 N ATOM 130 CA THR A 9 13.500 10.381 8.801 1.00 0.00 C ATOM 131 C THR A 9 14.691 10.336 7.829 1.00 0.00 C ATOM 132 O THR A 9 15.793 10.756 8.190 1.00 0.00 O ATOM 133 CB THR A 9 13.038 9.001 9.332 1.00 0.00 C ATOM 134 OG1 THR A 9 12.764 9.087 10.718 1.00 0.00 O ATOM 135 CG2 THR A 9 13.984 7.822 9.076 1.00 0.00 C ATOM 0 H THR A 9 11.532 10.406 8.108 1.00 0.00 H new ATOM 0 HA THR A 9 13.861 10.953 9.656 1.00 0.00 H new ATOM 0 HB THR A 9 12.144 8.775 8.751 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.471 8.212 11.048 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.553 6.912 9.493 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.127 7.697 8.003 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.946 8.018 9.550 1.00 0.00 H new ATOM 143 N ILE A 10 14.483 9.865 6.596 1.00 0.00 N ATOM 144 CA ILE A 10 15.533 9.744 5.593 1.00 0.00 C ATOM 145 C ILE A 10 16.095 11.125 5.259 1.00 0.00 C ATOM 146 O ILE A 10 17.316 11.275 5.263 1.00 0.00 O ATOM 147 CB ILE A 10 15.000 8.950 4.372 1.00 0.00 C ATOM 148 CG1 ILE A 10 15.083 7.444 4.720 1.00 0.00 C ATOM 149 CG2 ILE A 10 15.747 9.249 3.061 1.00 0.00 C ATOM 150 CD1 ILE A 10 14.744 6.501 3.565 1.00 0.00 C ATOM 0 H ILE A 10 13.569 9.555 6.267 1.00 0.00 H new ATOM 0 HA ILE A 10 16.376 9.169 5.977 1.00 0.00 H new ATOM 0 HB ILE A 10 13.972 9.260 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 10 16.091 7.221 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.406 7.239 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.317 8.656 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.654 10.309 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.801 8.994 3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.829 5.468 3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.725 6.690 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.436 6.672 2.741 1.00 0.00 H new ATOM 162 N LEU A 11 15.246 12.132 5.021 1.00 0.00 N ATOM 163 CA LEU A 11 15.716 13.472 4.686 1.00 0.00 C ATOM 164 C LEU A 11 16.593 14.003 5.804 1.00 0.00 C ATOM 165 O LEU A 11 17.688 14.481 5.538 1.00 0.00 O ATOM 166 CB LEU A 11 14.564 14.474 4.446 1.00 0.00 C ATOM 167 CG LEU A 11 14.064 14.661 3.001 1.00 0.00 C ATOM 168 CD1 LEU A 11 15.207 14.833 1.990 1.00 0.00 C ATOM 169 CD2 LEU A 11 13.134 13.530 2.568 1.00 0.00 C ATOM 0 H LEU A 11 14.231 12.039 5.055 1.00 0.00 H new ATOM 0 HA LEU A 11 16.277 13.380 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.716 14.162 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.884 15.447 4.818 1.00 0.00 H new ATOM 0 HG LEU A 11 13.494 15.590 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.792 14.960 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.796 15.711 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.845 13.949 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.805 13.702 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.666 12.580 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.266 13.500 3.227 1.00 0.00 H new ATOM 181 N SER A 12 16.133 13.909 7.048 1.00 0.00 N ATOM 182 CA SER A 12 16.877 14.412 8.193 1.00 0.00 C ATOM 183 C SER A 12 18.192 13.662 8.364 1.00 0.00 C ATOM 184 O SER A 12 19.214 14.288 8.641 1.00 0.00 O ATOM 185 CB SER A 12 16.009 14.311 9.456 1.00 0.00 C ATOM 186 OG SER A 12 14.730 14.892 9.253 1.00 0.00 O ATOM 0 H SER A 12 15.238 13.483 7.288 1.00 0.00 H new ATOM 0 HA SER A 12 17.124 15.460 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.894 13.264 9.738 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.510 14.811 10.285 1.00 0.00 H new ATOM 0 HG SER A 12 14.157 14.261 8.769 1.00 0.00 H new ATOM 192 N THR A 13 18.197 12.345 8.166 1.00 0.00 N ATOM 193 CA THR A 13 19.402 11.565 8.372 1.00 0.00 C ATOM 194 C THR A 13 20.433 11.847 7.273 1.00 0.00 C ATOM 195 O THR A 13 21.610 12.065 7.563 1.00 0.00 O ATOM 196 CB THR A 13 19.071 10.076 8.495 1.00 0.00 C ATOM 197 OG1 THR A 13 18.049 9.857 9.450 1.00 0.00 O ATOM 198 CG2 THR A 13 20.343 9.375 8.961 1.00 0.00 C ATOM 0 H THR A 13 17.385 11.805 7.866 1.00 0.00 H new ATOM 0 HA THR A 13 19.856 11.869 9.315 1.00 0.00 H new ATOM 0 HB THR A 13 18.721 9.694 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.188 10.140 9.078 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.153 8.307 9.063 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.135 9.535 8.230 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.651 9.782 9.924 1.00 0.00 H new ATOM 206 N LEU A 14 20.014 11.889 6.008 1.00 0.00 N ATOM 207 CA LEU A 14 20.944 12.233 4.944 1.00 0.00 C ATOM 208 C LEU A 14 21.377 13.686 5.081 1.00 0.00 C ATOM 209 O LEU A 14 22.564 13.938 4.971 1.00 0.00 O ATOM 210 CB LEU A 14 20.429 11.927 3.532 1.00 0.00 C ATOM 211 CG LEU A 14 20.758 10.477 3.118 1.00 0.00 C ATOM 212 CD1 LEU A 14 19.784 9.480 3.754 1.00 0.00 C ATOM 213 CD2 LEU A 14 20.728 10.343 1.597 1.00 0.00 C ATOM 0 H LEU A 14 19.060 11.694 5.704 1.00 0.00 H new ATOM 0 HA LEU A 14 21.810 11.583 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.351 12.083 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.877 12.621 2.821 1.00 0.00 H new ATOM 0 HG LEU A 14 21.760 10.245 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.044 8.468 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.847 9.552 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.768 9.709 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.962 9.316 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.736 10.603 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.465 11.015 1.158 1.00 0.00 H new ATOM 225 N ARG A 15 20.488 14.637 5.380 1.00 0.00 N ATOM 226 CA ARG A 15 20.893 16.037 5.554 1.00 0.00 C ATOM 227 C ARG A 15 21.888 16.178 6.707 1.00 0.00 C ATOM 228 O ARG A 15 22.856 16.922 6.560 1.00 0.00 O ATOM 229 CB ARG A 15 19.678 16.963 5.740 1.00 0.00 C ATOM 230 CG ARG A 15 18.904 17.188 4.427 1.00 0.00 C ATOM 231 CD ARG A 15 17.595 17.941 4.696 1.00 0.00 C ATOM 232 NE ARG A 15 16.780 18.093 3.472 1.00 0.00 N ATOM 233 CZ ARG A 15 15.445 18.234 3.439 1.00 0.00 C ATOM 234 NH1 ARG A 15 14.721 18.339 4.547 1.00 0.00 N ATOM 235 NH2 ARG A 15 14.778 18.256 2.294 1.00 0.00 N ATOM 0 H ARG A 15 19.490 14.467 5.506 1.00 0.00 H new ATOM 0 HA ARG A 15 21.395 16.352 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 15 19.008 16.533 6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 15 20.013 17.924 6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 15 19.519 17.755 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.688 16.229 3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.018 17.407 5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.821 18.926 5.105 1.00 0.00 H new ATOM 0 HE ARG A 15 17.272 18.091 2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.177 18.314 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.708 18.445 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.279 18.165 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.764 18.364 2.297 1.00 0.00 H new ATOM 249 N MET A 16 21.701 15.472 7.833 1.00 0.00 N ATOM 250 CA MET A 16 22.677 15.556 8.926 1.00 0.00 C ATOM 251 C MET A 16 24.062 15.002 8.546 1.00 0.00 C ATOM 252 O MET A 16 25.065 15.474 9.083 1.00 0.00 O ATOM 253 CB MET A 16 22.150 14.950 10.243 1.00 0.00 C ATOM 254 CG MET A 16 22.130 13.426 10.302 1.00 0.00 C ATOM 255 SD MET A 16 21.708 12.698 11.912 1.00 0.00 S ATOM 256 CE MET A 16 19.995 13.270 12.115 1.00 0.00 C ATOM 0 H MET A 16 20.908 14.855 8.007 1.00 0.00 H new ATOM 0 HA MET A 16 22.818 16.622 9.107 1.00 0.00 H new ATOM 0 HB2 MET A 16 22.764 15.320 11.064 1.00 0.00 H new ATOM 0 HB3 MET A 16 21.137 15.316 10.412 1.00 0.00 H new ATOM 0 HG2 MET A 16 21.416 13.063 9.563 1.00 0.00 H new ATOM 0 HG3 MET A 16 23.112 13.058 10.005 1.00 0.00 H new ATOM 0 HE1 MET A 16 19.465 12.599 12.791 1.00 0.00 H new ATOM 0 HE2 MET A 16 19.995 14.278 12.530 1.00 0.00 H new ATOM 0 HE3 MET A 16 19.496 13.277 11.146 1.00 0.00 H new ATOM 266 N GLU A 17 24.138 14.022 7.638 1.00 0.00 N ATOM 267 CA GLU A 17 25.389 13.316 7.325 1.00 0.00 C ATOM 268 C GLU A 17 26.055 13.815 6.037 1.00 0.00 C ATOM 269 O GLU A 17 27.268 13.687 5.855 1.00 0.00 O ATOM 270 CB GLU A 17 25.131 11.805 7.378 1.00 0.00 C ATOM 271 CG GLU A 17 24.775 11.144 6.051 1.00 0.00 C ATOM 272 CD GLU A 17 24.475 9.642 6.209 1.00 0.00 C ATOM 273 OE1 GLU A 17 25.378 8.873 6.614 1.00 0.00 O ATOM 274 OE2 GLU A 17 23.339 9.205 5.921 1.00 0.00 O ATOM 0 H GLU A 17 23.336 13.695 7.099 1.00 0.00 H new ATOM 0 HA GLU A 17 26.138 13.546 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 17 26.020 11.318 7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.321 11.619 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.906 11.643 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 17 25.599 11.276 5.349 1.00 0.00 H new ATOM 281 N ALA A 18 25.250 14.413 5.167 1.00 0.00 N ATOM 282 CA ALA A 18 25.654 14.988 3.899 1.00 0.00 C ATOM 283 C ALA A 18 26.475 16.263 4.082 1.00 0.00 C ATOM 284 O ALA A 18 26.449 16.931 5.119 1.00 0.00 O ATOM 285 CB ALA A 18 24.411 15.304 3.055 1.00 0.00 C ATOM 0 H ALA A 18 24.250 14.513 5.339 1.00 0.00 H new ATOM 0 HA ALA A 18 26.281 14.255 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 18 24.718 15.736 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 18 23.851 14.386 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.780 16.014 3.589 1.00 0.00 H new ATOM 291 N ASP A 19 27.182 16.600 3.010 1.00 0.00 N ATOM 292 CA ASP A 19 27.875 17.873 2.838 1.00 0.00 C ATOM 293 C ASP A 19 26.853 18.940 2.402 1.00 0.00 C ATOM 294 O ASP A 19 26.019 18.631 1.545 1.00 0.00 O ATOM 295 CB ASP A 19 28.942 17.697 1.757 1.00 0.00 C ATOM 296 CG ASP A 19 29.706 18.992 1.482 1.00 0.00 C ATOM 297 OD1 ASP A 19 29.175 19.872 0.773 1.00 0.00 O ATOM 298 OD2 ASP A 19 30.895 19.087 1.857 1.00 0.00 O ATOM 0 H ASP A 19 27.293 15.976 2.211 1.00 0.00 H new ATOM 0 HA ASP A 19 28.345 18.188 3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 19 29.644 16.922 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 19 28.471 17.353 0.836 1.00 0.00 H new ATOM 303 N PRO A 20 26.896 20.179 2.930 1.00 0.00 N ATOM 304 CA PRO A 20 25.948 21.240 2.588 1.00 0.00 C ATOM 305 C PRO A 20 25.733 21.481 1.088 1.00 0.00 C ATOM 306 O PRO A 20 24.631 21.862 0.689 1.00 0.00 O ATOM 307 CB PRO A 20 26.478 22.503 3.270 1.00 0.00 C ATOM 308 CG PRO A 20 27.214 21.956 4.488 1.00 0.00 C ATOM 309 CD PRO A 20 27.797 20.640 3.978 1.00 0.00 C ATOM 0 HA PRO A 20 24.958 20.942 2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 20 27.144 23.065 2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 20 25.670 23.176 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 20 27.994 22.638 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 20 26.539 21.799 5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 20 28.805 20.785 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 20 27.867 19.907 4.782 1.00 0.00 H new ATOM 317 N SER A 21 26.744 21.247 0.245 1.00 0.00 N ATOM 318 CA SER A 21 26.666 21.466 -1.200 1.00 0.00 C ATOM 319 C SER A 21 25.577 20.601 -1.855 1.00 0.00 C ATOM 320 O SER A 21 25.071 20.946 -2.923 1.00 0.00 O ATOM 321 CB SER A 21 28.022 21.157 -1.855 1.00 0.00 C ATOM 322 OG SER A 21 29.113 21.641 -1.089 1.00 0.00 O ATOM 0 H SER A 21 27.651 20.896 0.553 1.00 0.00 H new ATOM 0 HA SER A 21 26.406 22.513 -1.355 1.00 0.00 H new ATOM 0 HB2 SER A 21 28.123 20.080 -1.986 1.00 0.00 H new ATOM 0 HB3 SER A 21 28.053 21.603 -2.849 1.00 0.00 H new ATOM 0 HG SER A 21 29.414 20.943 -0.471 1.00 0.00 H new ATOM 328 N LEU A 22 25.221 19.477 -1.224 1.00 0.00 N ATOM 329 CA LEU A 22 24.239 18.525 -1.728 1.00 0.00 C ATOM 330 C LEU A 22 22.805 18.935 -1.363 1.00 0.00 C ATOM 331 O LEU A 22 21.856 18.448 -1.977 1.00 0.00 O ATOM 332 CB LEU A 22 24.543 17.153 -1.109 1.00 0.00 C ATOM 333 CG LEU A 22 25.818 16.454 -1.610 1.00 0.00 C ATOM 334 CD1 LEU A 22 26.163 15.328 -0.625 1.00 0.00 C ATOM 335 CD2 LEU A 22 25.652 15.909 -3.032 1.00 0.00 C ATOM 0 H LEU A 22 25.621 19.202 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 22 24.308 18.496 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 22 24.619 17.273 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 22 23.694 16.496 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 22 26.631 17.178 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 22 27.065 14.816 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 22 26.331 15.750 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.338 14.617 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.576 15.424 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 22 24.837 15.185 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 22 25.424 16.730 -3.712 1.00 0.00 H new ATOM 347 N HIS A 23 22.617 19.801 -0.360 1.00 0.00 N ATOM 348 CA HIS A 23 21.296 20.085 0.201 1.00 0.00 C ATOM 349 C HIS A 23 20.282 20.650 -0.812 1.00 0.00 C ATOM 350 O HIS A 23 19.125 20.234 -0.733 1.00 0.00 O ATOM 351 CB HIS A 23 21.407 20.985 1.442 1.00 0.00 C ATOM 352 CG HIS A 23 22.113 20.368 2.632 1.00 0.00 C ATOM 353 ND1 HIS A 23 22.275 20.970 3.862 1.00 0.00 N ATOM 354 CD2 HIS A 23 22.673 19.118 2.727 1.00 0.00 C ATOM 355 CE1 HIS A 23 22.915 20.107 4.670 1.00 0.00 C ATOM 356 NE2 HIS A 23 23.184 18.962 4.018 1.00 0.00 N ATOM 0 H HIS A 23 23.375 20.321 0.082 1.00 0.00 H new ATOM 0 HA HIS A 23 20.892 19.118 0.499 1.00 0.00 H new ATOM 0 HB2 HIS A 23 21.933 21.898 1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 23 20.403 21.278 1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 23 22.712 18.381 1.938 1.00 0.00 H new ATOM 0 HE1 HIS A 23 23.177 20.305 5.699 1.00 0.00 H new ATOM 0 HE2 HIS A 23 23.665 18.144 4.391 1.00 0.00 H new ATOM 364 N PRO A 24 20.634 21.519 -1.784 1.00 0.00 N ATOM 365 CA PRO A 24 19.688 21.985 -2.800 1.00 0.00 C ATOM 366 C PRO A 24 19.004 20.864 -3.591 1.00 0.00 C ATOM 367 O PRO A 24 17.871 21.037 -4.047 1.00 0.00 O ATOM 368 CB PRO A 24 20.493 22.896 -3.733 1.00 0.00 C ATOM 369 CG PRO A 24 21.607 23.421 -2.834 1.00 0.00 C ATOM 370 CD PRO A 24 21.900 22.226 -1.932 1.00 0.00 C ATOM 0 HA PRO A 24 18.863 22.502 -2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 24 20.890 22.347 -4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 24 19.882 23.706 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 24 22.484 23.720 -3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.289 24.292 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.659 21.580 -2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 24 22.282 22.551 -0.964 1.00 0.00 H new ATOM 378 N LEU A 25 19.661 19.710 -3.757 1.00 0.00 N ATOM 379 CA LEU A 25 19.037 18.569 -4.425 1.00 0.00 C ATOM 380 C LEU A 25 17.961 17.980 -3.519 1.00 0.00 C ATOM 381 O LEU A 25 16.888 17.610 -4.000 1.00 0.00 O ATOM 382 CB LEU A 25 20.056 17.484 -4.825 1.00 0.00 C ATOM 383 CG LEU A 25 21.129 17.871 -5.868 1.00 0.00 C ATOM 384 CD1 LEU A 25 20.592 18.773 -6.986 1.00 0.00 C ATOM 385 CD2 LEU A 25 22.366 18.520 -5.240 1.00 0.00 C ATOM 0 H LEU A 25 20.616 19.545 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 25 18.590 18.931 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.568 17.152 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.503 16.628 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 25 21.424 16.920 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.397 19.006 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.791 18.258 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.206 19.697 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 25 23.083 18.769 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 25 22.073 19.428 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 25 22.824 17.825 -4.536 1.00 0.00 H new ATOM 397 N PHE A 26 18.213 17.930 -2.208 1.00 0.00 N ATOM 398 CA PHE A 26 17.262 17.361 -1.271 1.00 0.00 C ATOM 399 C PHE A 26 16.065 18.262 -0.991 1.00 0.00 C ATOM 400 O PHE A 26 15.043 17.751 -0.531 1.00 0.00 O ATOM 401 CB PHE A 26 17.935 16.885 0.027 1.00 0.00 C ATOM 402 CG PHE A 26 18.589 15.518 -0.087 1.00 0.00 C ATOM 403 CD1 PHE A 26 17.889 14.448 -0.686 1.00 0.00 C ATOM 404 CD2 PHE A 26 19.886 15.302 0.412 1.00 0.00 C ATOM 405 CE1 PHE A 26 18.511 13.209 -0.882 1.00 0.00 C ATOM 406 CE2 PHE A 26 20.486 14.037 0.272 1.00 0.00 C ATOM 407 CZ PHE A 26 19.812 13.005 -0.405 1.00 0.00 C ATOM 0 H PHE A 26 19.070 18.279 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 26 16.860 16.480 -1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.689 17.615 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.190 16.856 0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.864 14.587 -0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 26 20.419 16.104 0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.991 12.415 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 26 21.467 13.858 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.299 12.053 -0.557 1.00 0.00 H new ATOM 417 N GLU A 27 16.138 19.567 -1.256 1.00 0.00 N ATOM 418 CA GLU A 27 14.955 20.424 -1.184 1.00 0.00 C ATOM 419 C GLU A 27 13.952 19.996 -2.265 1.00 0.00 C ATOM 420 O GLU A 27 12.774 19.789 -1.972 1.00 0.00 O ATOM 421 CB GLU A 27 15.340 21.903 -1.341 1.00 0.00 C ATOM 422 CG GLU A 27 16.153 22.421 -0.146 1.00 0.00 C ATOM 423 CD GLU A 27 16.359 23.945 -0.218 1.00 0.00 C ATOM 424 OE1 GLU A 27 17.321 24.411 -0.869 1.00 0.00 O ATOM 425 OE2 GLU A 27 15.564 24.698 0.393 1.00 0.00 O ATOM 0 H GLU A 27 16.997 20.050 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 27 14.490 20.312 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.920 22.031 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.436 22.502 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.640 22.166 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.122 21.923 -0.122 1.00 0.00 H new ATOM 432 N GLN A 28 14.435 19.806 -3.499 1.00 0.00 N ATOM 433 CA GLN A 28 13.608 19.395 -4.633 1.00 0.00 C ATOM 434 C GLN A 28 13.047 17.989 -4.396 1.00 0.00 C ATOM 435 O GLN A 28 11.849 17.760 -4.556 1.00 0.00 O ATOM 436 CB GLN A 28 14.451 19.416 -5.918 1.00 0.00 C ATOM 437 CG GLN A 28 14.970 20.806 -6.311 1.00 0.00 C ATOM 438 CD GLN A 28 16.114 20.685 -7.315 1.00 0.00 C ATOM 439 OE1 GLN A 28 15.910 20.470 -8.508 1.00 0.00 O ATOM 440 NE2 GLN A 28 17.348 20.797 -6.849 1.00 0.00 N ATOM 0 H GLN A 28 15.418 19.935 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 28 12.774 20.089 -4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.301 18.746 -5.792 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.852 19.020 -6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.160 21.394 -6.742 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.312 21.337 -5.423 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.504 20.975 -5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 28 18.143 20.705 -7.482 1.00 0.00 H new ATOM 449 N PHE A 29 13.914 17.067 -3.968 1.00 0.00 N ATOM 450 CA PHE A 29 13.569 15.674 -3.698 1.00 0.00 C ATOM 451 C PHE A 29 12.408 15.593 -2.703 1.00 0.00 C ATOM 452 O PHE A 29 11.446 14.865 -2.953 1.00 0.00 O ATOM 453 CB PHE A 29 14.837 15.013 -3.147 1.00 0.00 C ATOM 454 CG PHE A 29 14.768 13.610 -2.575 1.00 0.00 C ATOM 455 CD1 PHE A 29 14.285 13.416 -1.264 1.00 0.00 C ATOM 456 CD2 PHE A 29 15.362 12.533 -3.259 1.00 0.00 C ATOM 457 CE1 PHE A 29 14.413 12.168 -0.635 1.00 0.00 C ATOM 458 CE2 PHE A 29 15.495 11.289 -2.621 1.00 0.00 C ATOM 459 CZ PHE A 29 15.040 11.111 -1.305 1.00 0.00 C ATOM 0 H PHE A 29 14.897 17.276 -3.797 1.00 0.00 H new ATOM 0 HA PHE A 29 13.235 15.160 -4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 29 15.573 15.000 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 29 15.230 15.664 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 29 13.813 14.234 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 29 15.715 12.663 -4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 29 14.029 12.023 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.951 10.463 -3.147 1.00 0.00 H new ATOM 0 HZ PHE A 29 15.173 10.160 -0.810 1.00 0.00 H new ATOM 469 N GLU A 30 12.469 16.362 -1.605 1.00 0.00 N ATOM 470 CA GLU A 30 11.425 16.375 -0.588 1.00 0.00 C ATOM 471 C GLU A 30 10.092 16.772 -1.217 1.00 0.00 C ATOM 472 O GLU A 30 9.142 15.984 -1.193 1.00 0.00 O ATOM 473 CB GLU A 30 11.835 17.331 0.548 1.00 0.00 C ATOM 474 CG GLU A 30 10.686 17.657 1.518 1.00 0.00 C ATOM 475 CD GLU A 30 11.122 18.583 2.669 1.00 0.00 C ATOM 476 OE1 GLU A 30 12.211 18.370 3.250 1.00 0.00 O ATOM 477 OE2 GLU A 30 10.379 19.535 3.000 1.00 0.00 O ATOM 0 H GLU A 30 13.247 16.990 -1.404 1.00 0.00 H new ATOM 0 HA GLU A 30 11.300 15.379 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.658 16.886 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.209 18.259 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.873 18.129 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.293 16.729 1.933 1.00 0.00 H new ATOM 484 N LYS A 31 10.014 17.986 -1.778 1.00 0.00 N ATOM 485 CA LYS A 31 8.732 18.498 -2.245 1.00 0.00 C ATOM 486 C LYS A 31 8.178 17.613 -3.349 1.00 0.00 C ATOM 487 O LYS A 31 6.983 17.334 -3.346 1.00 0.00 O ATOM 488 CB LYS A 31 8.788 19.993 -2.607 1.00 0.00 C ATOM 489 CG LYS A 31 9.789 20.436 -3.688 1.00 0.00 C ATOM 490 CD LYS A 31 9.335 20.183 -5.133 1.00 0.00 C ATOM 491 CE LYS A 31 8.970 21.453 -5.915 1.00 0.00 C ATOM 492 NZ LYS A 31 7.728 22.089 -5.416 1.00 0.00 N ATOM 0 H LYS A 31 10.806 18.614 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 31 8.022 18.450 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.792 20.296 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.011 20.549 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.986 21.501 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.733 19.917 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.130 19.660 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.471 19.519 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.792 22.166 -5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.849 21.204 -6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.507 22.922 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.943 21.409 -5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.861 22.383 -4.427 1.00 0.00 H new ATOM 506 N PHE A 32 9.022 17.129 -4.262 1.00 0.00 N ATOM 507 CA PHE A 32 8.536 16.324 -5.366 1.00 0.00 C ATOM 508 C PHE A 32 7.974 14.995 -4.873 1.00 0.00 C ATOM 509 O PHE A 32 6.945 14.571 -5.391 1.00 0.00 O ATOM 510 CB PHE A 32 9.604 16.141 -6.455 1.00 0.00 C ATOM 511 CG PHE A 32 9.830 17.359 -7.340 1.00 0.00 C ATOM 512 CD1 PHE A 32 8.735 17.992 -7.957 1.00 0.00 C ATOM 513 CD2 PHE A 32 11.128 17.835 -7.601 1.00 0.00 C ATOM 514 CE1 PHE A 32 8.918 19.082 -8.819 1.00 0.00 C ATOM 515 CE2 PHE A 32 11.319 18.947 -8.444 1.00 0.00 C ATOM 516 CZ PHE A 32 10.215 19.571 -9.055 1.00 0.00 C ATOM 0 H PHE A 32 10.030 17.282 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 32 7.713 16.865 -5.833 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.548 15.876 -5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.319 15.299 -7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.736 17.631 -7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.981 17.346 -7.153 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.068 19.544 -9.299 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.316 19.322 -8.622 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.364 20.422 -9.703 1.00 0.00 H new ATOM 526 N TYR A 33 8.560 14.344 -3.863 1.00 0.00 N ATOM 527 CA TYR A 33 7.948 13.141 -3.310 1.00 0.00 C ATOM 528 C TYR A 33 6.607 13.478 -2.656 1.00 0.00 C ATOM 529 O TYR A 33 5.614 12.803 -2.929 1.00 0.00 O ATOM 530 CB TYR A 33 8.912 12.446 -2.342 1.00 0.00 C ATOM 531 CG TYR A 33 8.322 11.236 -1.634 1.00 0.00 C ATOM 532 CD1 TYR A 33 7.493 11.412 -0.508 1.00 0.00 C ATOM 533 CD2 TYR A 33 8.564 9.937 -2.123 1.00 0.00 C ATOM 534 CE1 TYR A 33 6.860 10.308 0.090 1.00 0.00 C ATOM 535 CE2 TYR A 33 7.951 8.825 -1.519 1.00 0.00 C ATOM 536 CZ TYR A 33 7.083 9.007 -0.418 1.00 0.00 C ATOM 537 OH TYR A 33 6.479 7.924 0.148 1.00 0.00 O ATOM 0 H TYR A 33 9.437 14.624 -3.423 1.00 0.00 H new ATOM 0 HA TYR A 33 7.744 12.438 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.799 12.134 -2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.239 13.167 -1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.343 12.401 -0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.224 9.795 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.205 10.453 0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.143 7.831 -1.896 1.00 0.00 H new ATOM 0 HH TYR A 33 6.747 7.112 -0.332 1.00 0.00 H new ATOM 547 N GLU A 34 6.547 14.529 -1.830 1.00 0.00 N ATOM 548 CA GLU A 34 5.327 14.878 -1.103 1.00 0.00 C ATOM 549 C GLU A 34 4.197 15.304 -2.058 1.00 0.00 C ATOM 550 O GLU A 34 3.022 15.104 -1.749 1.00 0.00 O ATOM 551 CB GLU A 34 5.617 15.968 -0.060 1.00 0.00 C ATOM 552 CG GLU A 34 6.482 15.438 1.099 1.00 0.00 C ATOM 553 CD GLU A 34 6.670 16.453 2.246 1.00 0.00 C ATOM 554 OE1 GLU A 34 6.667 17.684 2.013 1.00 0.00 O ATOM 555 OE2 GLU A 34 6.827 16.015 3.409 1.00 0.00 O ATOM 0 H GLU A 34 7.334 15.153 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 34 4.982 13.986 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.126 16.804 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.676 16.352 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.024 14.533 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.461 15.156 0.711 1.00 0.00 H new ATOM 562 N GLU A 35 4.534 15.853 -3.229 1.00 0.00 N ATOM 563 CA GLU A 35 3.581 16.242 -4.267 1.00 0.00 C ATOM 564 C GLU A 35 3.252 15.083 -5.227 1.00 0.00 C ATOM 565 O GLU A 35 2.454 15.276 -6.147 1.00 0.00 O ATOM 566 CB GLU A 35 4.117 17.464 -5.033 1.00 0.00 C ATOM 567 CG GLU A 35 4.080 18.739 -4.179 1.00 0.00 C ATOM 568 CD GLU A 35 4.501 19.976 -4.990 1.00 0.00 C ATOM 569 OE1 GLU A 35 5.717 20.221 -5.152 1.00 0.00 O ATOM 570 OE2 GLU A 35 3.613 20.731 -5.448 1.00 0.00 O ATOM 0 H GLU A 35 5.503 16.043 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 35 2.644 16.509 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.141 17.271 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.525 17.615 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.074 18.886 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.743 18.623 -3.321 1.00 0.00 H new ATOM 577 N LYS A 36 3.814 13.882 -5.016 1.00 0.00 N ATOM 578 CA LYS A 36 3.627 12.699 -5.867 1.00 0.00 C ATOM 579 C LYS A 36 4.164 12.940 -7.289 1.00 0.00 C ATOM 580 O LYS A 36 3.485 12.660 -8.281 1.00 0.00 O ATOM 581 CB LYS A 36 2.153 12.242 -5.826 1.00 0.00 C ATOM 582 CG LYS A 36 1.969 10.806 -6.340 1.00 0.00 C ATOM 583 CD LYS A 36 0.560 10.510 -6.873 1.00 0.00 C ATOM 584 CE LYS A 36 0.111 11.395 -8.053 1.00 0.00 C ATOM 585 NZ LYS A 36 1.071 11.399 -9.188 1.00 0.00 N ATOM 0 H LYS A 36 4.430 13.703 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 36 4.220 11.874 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.783 12.309 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.549 12.920 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.693 10.619 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.194 10.110 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.517 9.466 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.153 10.629 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.859 11.048 -8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.026 12.417 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.664 11.929 -9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.959 11.850 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.262 10.421 -9.484 1.00 0.00 H new ATOM 599 N LEU A 37 5.379 13.479 -7.401 1.00 0.00 N ATOM 600 CA LEU A 37 6.004 13.941 -8.639 1.00 0.00 C ATOM 601 C LEU A 37 7.272 13.158 -8.886 1.00 0.00 C ATOM 602 O LEU A 37 8.379 13.686 -8.978 1.00 0.00 O ATOM 603 CB LEU A 37 6.186 15.465 -8.599 1.00 0.00 C ATOM 604 CG LEU A 37 4.836 16.202 -8.642 1.00 0.00 C ATOM 605 CD1 LEU A 37 5.015 17.719 -8.539 1.00 0.00 C ATOM 606 CD2 LEU A 37 4.080 15.825 -9.918 1.00 0.00 C ATOM 0 H LEU A 37 5.983 13.611 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 37 5.362 13.749 -9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.724 15.743 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.800 15.780 -9.443 1.00 0.00 H new ATOM 0 HG LEU A 37 4.250 15.891 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.039 18.204 -8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.509 17.964 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.624 18.071 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.125 16.350 -9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.672 16.107 -10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.904 14.749 -9.932 1.00 0.00 H new ATOM 618 N TRP A 38 7.036 11.858 -8.985 1.00 0.00 N ATOM 619 CA TRP A 38 8.056 10.812 -9.043 1.00 0.00 C ATOM 620 C TRP A 38 9.145 11.079 -10.085 1.00 0.00 C ATOM 621 O TRP A 38 10.321 10.845 -9.808 1.00 0.00 O ATOM 622 CB TRP A 38 7.408 9.450 -9.319 1.00 0.00 C ATOM 623 CG TRP A 38 6.206 9.058 -8.510 1.00 0.00 C ATOM 624 CD1 TRP A 38 5.142 8.398 -9.015 1.00 0.00 C ATOM 625 CD2 TRP A 38 5.931 9.208 -7.078 1.00 0.00 C ATOM 626 NE1 TRP A 38 4.238 8.125 -8.014 1.00 0.00 N ATOM 627 CE2 TRP A 38 4.704 8.537 -6.786 1.00 0.00 C ATOM 628 CE3 TRP A 38 6.587 9.825 -5.990 1.00 0.00 C ATOM 629 CZ2 TRP A 38 4.197 8.421 -5.482 1.00 0.00 C ATOM 630 CZ3 TRP A 38 6.063 9.753 -4.685 1.00 0.00 C ATOM 631 CH2 TRP A 38 4.883 9.037 -4.425 1.00 0.00 C ATOM 0 H TRP A 38 6.088 11.483 -9.029 1.00 0.00 H new ATOM 0 HA TRP A 38 8.542 10.810 -8.067 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.124 9.424 -10.371 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.170 8.684 -9.175 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.018 8.124 -10.052 1.00 0.00 H new ATOM 0 HE1 TRP A 38 3.335 7.674 -8.163 1.00 0.00 H new ATOM 0 HE3 TRP A 38 7.508 10.362 -6.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.290 7.865 -5.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.574 10.254 -3.876 1.00 0.00 H new ATOM 0 HH2 TRP A 38 4.506 8.961 -3.416 1.00 0.00 H new ATOM 642 N PHE A 39 8.792 11.572 -11.274 1.00 0.00 N ATOM 643 CA PHE A 39 9.773 11.774 -12.339 1.00 0.00 C ATOM 644 C PHE A 39 10.704 12.952 -12.029 1.00 0.00 C ATOM 645 O PHE A 39 11.895 12.897 -12.332 1.00 0.00 O ATOM 646 CB PHE A 39 9.051 11.980 -13.679 1.00 0.00 C ATOM 647 CG PHE A 39 8.038 10.897 -14.021 1.00 0.00 C ATOM 648 CD1 PHE A 39 8.437 9.548 -14.115 1.00 0.00 C ATOM 649 CD2 PHE A 39 6.686 11.237 -14.230 1.00 0.00 C ATOM 650 CE1 PHE A 39 7.493 8.553 -14.422 1.00 0.00 C ATOM 651 CE2 PHE A 39 5.743 10.238 -14.532 1.00 0.00 C ATOM 652 CZ PHE A 39 6.145 8.895 -14.630 1.00 0.00 C ATOM 0 H PHE A 39 7.839 11.837 -11.522 1.00 0.00 H new ATOM 0 HA PHE A 39 10.396 10.882 -12.407 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.542 12.943 -13.659 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.795 12.029 -14.475 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.470 9.279 -13.951 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.373 12.268 -14.158 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.804 7.522 -14.498 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.708 10.504 -14.689 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.421 8.128 -14.864 1.00 0.00 H new ATOM 662 N GLN A 40 10.194 14.008 -11.390 1.00 0.00 N ATOM 663 CA GLN A 40 11.004 15.173 -11.028 1.00 0.00 C ATOM 664 C GLN A 40 11.810 14.862 -9.763 1.00 0.00 C ATOM 665 O GLN A 40 12.964 15.268 -9.618 1.00 0.00 O ATOM 666 CB GLN A 40 10.102 16.400 -10.861 1.00 0.00 C ATOM 667 CG GLN A 40 9.346 16.708 -12.163 1.00 0.00 C ATOM 668 CD GLN A 40 8.420 17.908 -12.019 1.00 0.00 C ATOM 669 OE1 GLN A 40 8.699 19.009 -12.490 1.00 0.00 O ATOM 670 NE2 GLN A 40 7.282 17.703 -11.379 1.00 0.00 N ATOM 0 H GLN A 40 9.216 14.079 -11.111 1.00 0.00 H new ATOM 0 HA GLN A 40 11.715 15.401 -11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.389 16.225 -10.055 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.704 17.262 -10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.063 16.898 -12.962 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.764 15.835 -12.459 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.071 16.781 -10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.615 18.466 -11.268 1.00 0.00 H new ATOM 679 N LEU A 41 11.224 14.074 -8.864 1.00 0.00 N ATOM 680 CA LEU A 41 11.922 13.485 -7.731 1.00 0.00 C ATOM 681 C LEU A 41 13.111 12.670 -8.262 1.00 0.00 C ATOM 682 O LEU A 41 14.215 12.775 -7.729 1.00 0.00 O ATOM 683 CB LEU A 41 10.902 12.631 -6.958 1.00 0.00 C ATOM 684 CG LEU A 41 11.502 11.509 -6.091 1.00 0.00 C ATOM 685 CD1 LEU A 41 12.346 12.068 -4.948 1.00 0.00 C ATOM 686 CD2 LEU A 41 10.371 10.643 -5.532 1.00 0.00 C ATOM 0 H LEU A 41 10.236 13.825 -8.906 1.00 0.00 H new ATOM 0 HA LEU A 41 12.327 14.232 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.315 13.288 -6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.211 12.184 -7.673 1.00 0.00 H new ATOM 0 HG LEU A 41 12.158 10.906 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.752 11.245 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.165 12.660 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.725 12.698 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.792 9.847 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.708 11.259 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.807 10.205 -6.356 1.00 0.00 H new ATOM 698 N SER A 42 12.908 11.906 -9.338 1.00 0.00 N ATOM 699 CA SER A 42 13.970 11.139 -9.969 1.00 0.00 C ATOM 700 C SER A 42 15.026 12.052 -10.585 1.00 0.00 C ATOM 701 O SER A 42 16.204 11.747 -10.433 1.00 0.00 O ATOM 702 CB SER A 42 13.412 10.178 -11.022 1.00 0.00 C ATOM 703 OG SER A 42 12.452 9.325 -10.440 1.00 0.00 O ATOM 0 H SER A 42 12.000 11.806 -9.792 1.00 0.00 H new ATOM 0 HA SER A 42 14.448 10.548 -9.188 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.961 10.743 -11.838 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.221 9.588 -11.452 1.00 0.00 H new ATOM 0 HG SER A 42 11.619 9.820 -10.296 1.00 0.00 H new ATOM 709 N GLU A 43 14.672 13.174 -11.231 1.00 0.00 N ATOM 710 CA GLU A 43 15.707 14.083 -11.731 1.00 0.00 C ATOM 711 C GLU A 43 16.509 14.670 -10.570 1.00 0.00 C ATOM 712 O GLU A 43 17.720 14.820 -10.675 1.00 0.00 O ATOM 713 CB GLU A 43 15.186 15.161 -12.703 1.00 0.00 C ATOM 714 CG GLU A 43 14.627 16.471 -12.116 1.00 0.00 C ATOM 715 CD GLU A 43 14.635 17.614 -13.144 1.00 0.00 C ATOM 716 OE1 GLU A 43 13.835 17.591 -14.108 1.00 0.00 O ATOM 717 OE2 GLU A 43 15.440 18.559 -12.971 1.00 0.00 O ATOM 0 H GLU A 43 13.711 13.464 -11.414 1.00 0.00 H new ATOM 0 HA GLU A 43 16.381 13.482 -12.342 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.002 15.421 -13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.402 14.709 -13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.608 16.305 -11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.219 16.761 -11.248 1.00 0.00 H new ATOM 724 N SER A 44 15.855 14.953 -9.443 1.00 0.00 N ATOM 725 CA SER A 44 16.514 15.469 -8.247 1.00 0.00 C ATOM 726 C SER A 44 17.521 14.441 -7.713 1.00 0.00 C ATOM 727 O SER A 44 18.684 14.771 -7.482 1.00 0.00 O ATOM 728 CB SER A 44 15.462 15.842 -7.191 1.00 0.00 C ATOM 729 OG SER A 44 14.471 16.691 -7.745 1.00 0.00 O ATOM 0 H SER A 44 14.848 14.829 -9.336 1.00 0.00 H new ATOM 0 HA SER A 44 17.070 16.373 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.995 14.937 -6.801 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.945 16.340 -6.350 1.00 0.00 H new ATOM 0 HG SER A 44 13.884 16.169 -8.331 1.00 0.00 H new ATOM 735 N LEU A 45 17.097 13.180 -7.580 1.00 0.00 N ATOM 736 CA LEU A 45 17.964 12.097 -7.134 1.00 0.00 C ATOM 737 C LEU A 45 19.047 11.769 -8.178 1.00 0.00 C ATOM 738 O LEU A 45 20.148 11.376 -7.806 1.00 0.00 O ATOM 739 CB LEU A 45 17.106 10.880 -6.749 1.00 0.00 C ATOM 740 CG LEU A 45 17.882 9.754 -6.036 1.00 0.00 C ATOM 741 CD1 LEU A 45 18.703 10.239 -4.835 1.00 0.00 C ATOM 742 CD2 LEU A 45 16.906 8.675 -5.548 1.00 0.00 C ATOM 0 H LEU A 45 16.141 12.886 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 45 18.509 12.414 -6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.295 11.213 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 45 16.647 10.474 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 45 18.579 9.358 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.222 9.393 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.433 10.977 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.039 10.692 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.461 7.883 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.193 9.117 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.369 8.258 -6.400 1.00 0.00 H new ATOM 754 N THR A 46 18.800 11.995 -9.471 1.00 0.00 N ATOM 755 CA THR A 46 19.811 11.865 -10.519 1.00 0.00 C ATOM 756 C THR A 46 20.845 12.995 -10.400 1.00 0.00 C ATOM 757 O THR A 46 22.044 12.743 -10.479 1.00 0.00 O ATOM 758 CB THR A 46 19.140 11.832 -11.904 1.00 0.00 C ATOM 759 OG1 THR A 46 18.187 10.790 -11.957 1.00 0.00 O ATOM 760 CG2 THR A 46 20.146 11.581 -13.033 1.00 0.00 C ATOM 0 H THR A 46 17.884 12.276 -9.821 1.00 0.00 H new ATOM 0 HA THR A 46 20.344 10.922 -10.395 1.00 0.00 H new ATOM 0 HB THR A 46 18.676 12.809 -12.044 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.327 11.116 -11.618 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.623 11.567 -13.989 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.892 12.376 -13.039 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.639 10.622 -12.875 1.00 0.00 H new ATOM 768 N LYS A 47 20.415 14.235 -10.159 1.00 0.00 N ATOM 769 CA LYS A 47 21.330 15.359 -9.945 1.00 0.00 C ATOM 770 C LYS A 47 22.147 15.147 -8.666 1.00 0.00 C ATOM 771 O LYS A 47 23.328 15.487 -8.640 1.00 0.00 O ATOM 772 CB LYS A 47 20.564 16.691 -9.941 1.00 0.00 C ATOM 773 CG LYS A 47 20.077 17.054 -11.358 1.00 0.00 C ATOM 774 CD LYS A 47 19.244 18.342 -11.439 1.00 0.00 C ATOM 775 CE LYS A 47 17.991 18.306 -10.551 1.00 0.00 C ATOM 776 NZ LYS A 47 17.050 19.407 -10.865 1.00 0.00 N ATOM 0 H LYS A 47 19.428 14.488 -10.107 1.00 0.00 H new ATOM 0 HA LYS A 47 22.037 15.405 -10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 47 19.711 16.622 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.208 17.484 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.944 17.156 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 47 19.482 16.227 -11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.865 19.188 -11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.944 18.509 -12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.484 17.350 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.288 18.371 -9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.613 19.752 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.566 20.185 -11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.309 19.058 -11.506 1.00 0.00 H new ATOM 790 N PHE A 48 21.564 14.531 -7.633 1.00 0.00 N ATOM 791 CA PHE A 48 22.302 14.088 -6.453 1.00 0.00 C ATOM 792 C PHE A 48 23.323 13.010 -6.840 1.00 0.00 C ATOM 793 O PHE A 48 24.472 13.089 -6.410 1.00 0.00 O ATOM 794 CB PHE A 48 21.303 13.593 -5.397 1.00 0.00 C ATOM 795 CG PHE A 48 21.904 13.119 -4.086 1.00 0.00 C ATOM 796 CD1 PHE A 48 22.301 14.060 -3.118 1.00 0.00 C ATOM 797 CD2 PHE A 48 22.000 11.742 -3.800 1.00 0.00 C ATOM 798 CE1 PHE A 48 22.787 13.625 -1.874 1.00 0.00 C ATOM 799 CE2 PHE A 48 22.452 11.312 -2.538 1.00 0.00 C ATOM 800 CZ PHE A 48 22.849 12.254 -1.576 1.00 0.00 C ATOM 0 H PHE A 48 20.565 14.327 -7.594 1.00 0.00 H new ATOM 0 HA PHE A 48 22.865 14.917 -6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 48 20.602 14.399 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 48 20.726 12.774 -5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 48 22.232 15.116 -3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 48 21.726 11.015 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 48 23.115 14.349 -1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.493 10.257 -2.310 1.00 0.00 H new ATOM 0 HZ PHE A 48 23.201 11.925 -0.609 1.00 0.00 H new ATOM 810 N PHE A 49 22.938 12.037 -7.673 1.00 0.00 N ATOM 811 CA PHE A 49 23.829 10.993 -8.178 1.00 0.00 C ATOM 812 C PHE A 49 24.991 11.560 -9.013 1.00 0.00 C ATOM 813 O PHE A 49 26.085 10.993 -9.003 1.00 0.00 O ATOM 814 CB PHE A 49 23.015 9.939 -8.959 1.00 0.00 C ATOM 815 CG PHE A 49 23.758 9.210 -10.069 1.00 0.00 C ATOM 816 CD1 PHE A 49 23.853 9.794 -11.349 1.00 0.00 C ATOM 817 CD2 PHE A 49 24.390 7.977 -9.824 1.00 0.00 C ATOM 818 CE1 PHE A 49 24.611 9.175 -12.358 1.00 0.00 C ATOM 819 CE2 PHE A 49 25.169 7.370 -10.826 1.00 0.00 C ATOM 820 CZ PHE A 49 25.280 7.968 -12.093 1.00 0.00 C ATOM 0 H PHE A 49 21.982 11.954 -8.019 1.00 0.00 H new ATOM 0 HA PHE A 49 24.294 10.506 -7.321 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.643 9.199 -8.251 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.144 10.430 -9.393 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.341 10.722 -11.555 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.277 7.495 -8.864 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.679 9.627 -13.337 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.683 6.442 -10.621 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.878 7.501 -12.861 1.00 0.00 H new ATOM 830 N ASP A 50 24.764 12.653 -9.745 1.00 0.00 N ATOM 831 CA ASP A 50 25.775 13.262 -10.607 1.00 0.00 C ATOM 832 C ASP A 50 26.898 13.913 -9.790 1.00 0.00 C ATOM 833 O ASP A 50 28.021 14.053 -10.281 1.00 0.00 O ATOM 834 CB ASP A 50 25.119 14.296 -11.528 1.00 0.00 C ATOM 835 CG ASP A 50 26.150 14.954 -12.459 1.00 0.00 C ATOM 836 OD1 ASP A 50 26.653 14.280 -13.387 1.00 0.00 O ATOM 837 OD2 ASP A 50 26.429 16.165 -12.303 1.00 0.00 O ATOM 0 H ASP A 50 23.869 13.142 -9.755 1.00 0.00 H new ATOM 0 HA ASP A 50 26.223 12.472 -11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 50 24.344 13.814 -12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 50 24.629 15.062 -10.927 1.00 0.00 H new ATOM 842 N ASP A 51 26.614 14.296 -8.541 1.00 0.00 N ATOM 843 CA ASP A 51 27.622 14.778 -7.598 1.00 0.00 C ATOM 844 C ASP A 51 28.479 13.599 -7.096 1.00 0.00 C ATOM 845 O ASP A 51 28.150 12.430 -7.326 1.00 0.00 O ATOM 846 CB ASP A 51 26.939 15.537 -6.447 1.00 0.00 C ATOM 847 CG ASP A 51 27.880 16.575 -5.813 1.00 0.00 C ATOM 848 OD1 ASP A 51 28.846 16.178 -5.126 1.00 0.00 O ATOM 849 OD2 ASP A 51 27.670 17.790 -6.032 1.00 0.00 O ATOM 0 H ASP A 51 25.670 14.279 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 51 28.293 15.477 -8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.045 16.036 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.614 14.828 -5.686 1.00 0.00 H new ATOM 854 N ALA A 52 29.576 13.889 -6.395 1.00 0.00 N ATOM 855 CA ALA A 52 30.509 12.908 -5.850 1.00 0.00 C ATOM 856 C ALA A 52 30.566 12.964 -4.317 1.00 0.00 C ATOM 857 O ALA A 52 30.974 11.979 -3.699 1.00 0.00 O ATOM 858 CB ALA A 52 31.896 13.128 -6.460 1.00 0.00 C ATOM 0 H ALA A 52 29.847 14.850 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 52 30.154 11.912 -6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 52 32.593 12.395 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.840 13.013 -7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 52 32.244 14.133 -6.219 1.00 0.00 H new ATOM 864 N LYS A 53 30.093 14.047 -3.678 1.00 0.00 N ATOM 865 CA LYS A 53 29.922 14.096 -2.219 1.00 0.00 C ATOM 866 C LYS A 53 29.004 12.969 -1.730 1.00 0.00 C ATOM 867 O LYS A 53 29.100 12.541 -0.581 1.00 0.00 O ATOM 868 CB LYS A 53 29.309 15.445 -1.794 1.00 0.00 C ATOM 869 CG LYS A 53 30.131 16.724 -1.957 1.00 0.00 C ATOM 870 CD LYS A 53 31.319 16.736 -0.991 1.00 0.00 C ATOM 871 CE LYS A 53 32.299 17.901 -1.225 1.00 0.00 C ATOM 872 NZ LYS A 53 31.763 19.230 -0.841 1.00 0.00 N ATOM 0 H LYS A 53 29.821 14.906 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 53 30.909 13.976 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 53 28.384 15.576 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.035 15.364 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 53 30.491 16.802 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.499 17.593 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 53 30.944 16.789 0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 53 31.860 15.794 -1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 53 33.212 17.712 -0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 53 32.575 17.923 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 32.338 19.977 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.779 19.315 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.796 19.332 0.193 1.00 0.00 H new ATOM 886 N SER A 54 28.110 12.502 -2.597 1.00 0.00 N ATOM 887 CA SER A 54 27.011 11.603 -2.301 1.00 0.00 C ATOM 888 C SER A 54 27.262 10.159 -2.735 1.00 0.00 C ATOM 889 O SER A 54 26.325 9.360 -2.679 1.00 0.00 O ATOM 890 CB SER A 54 25.791 12.190 -3.025 1.00 0.00 C ATOM 891 OG SER A 54 26.177 12.589 -4.332 1.00 0.00 O ATOM 0 H SER A 54 28.140 12.760 -3.583 1.00 0.00 H new ATOM 0 HA SER A 54 26.868 11.538 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 54 24.992 11.450 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 54 25.399 13.043 -2.471 1.00 0.00 H new ATOM 0 HG SER A 54 25.380 12.686 -4.893 1.00 0.00 H new ATOM 897 N THR A 55 28.468 9.820 -3.211 1.00 0.00 N ATOM 898 CA THR A 55 28.763 8.537 -3.857 1.00 0.00 C ATOM 899 C THR A 55 28.211 7.327 -3.075 1.00 0.00 C ATOM 900 O THR A 55 27.452 6.566 -3.669 1.00 0.00 O ATOM 901 CB THR A 55 30.257 8.455 -4.227 1.00 0.00 C ATOM 902 OG1 THR A 55 30.618 9.582 -5.002 1.00 0.00 O ATOM 903 CG2 THR A 55 30.574 7.219 -5.071 1.00 0.00 C ATOM 0 H THR A 55 29.277 10.439 -3.156 1.00 0.00 H new ATOM 0 HA THR A 55 28.217 8.487 -4.799 1.00 0.00 H new ATOM 0 HB THR A 55 30.810 8.409 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.804 10.340 -4.410 1.00 0.00 H new ATOM 0 HG21 THR A 55 31.638 7.203 -5.308 1.00 0.00 H new ATOM 0 HG22 THR A 55 30.313 6.320 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 55 29.997 7.252 -5.995 1.00 0.00 H new ATOM 911 N PRO A 56 28.485 7.152 -1.768 1.00 0.00 N ATOM 912 CA PRO A 56 27.846 6.129 -0.943 1.00 0.00 C ATOM 913 C PRO A 56 26.573 6.598 -0.218 1.00 0.00 C ATOM 914 O PRO A 56 25.799 5.740 0.202 1.00 0.00 O ATOM 915 CB PRO A 56 28.910 5.717 0.075 1.00 0.00 C ATOM 916 CG PRO A 56 29.685 7.016 0.274 1.00 0.00 C ATOM 917 CD PRO A 56 29.701 7.609 -1.124 1.00 0.00 C ATOM 0 HA PRO A 56 27.506 5.312 -1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 56 28.467 5.360 1.005 1.00 0.00 H new ATOM 0 HB3 PRO A 56 29.547 4.917 -0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 56 29.193 7.676 0.989 1.00 0.00 H new ATOM 0 HG3 PRO A 56 30.692 6.834 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 56 29.736 8.698 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 56 30.582 7.281 -1.676 1.00 0.00 H new ATOM 925 N LEU A 57 26.305 7.905 -0.058 1.00 0.00 N ATOM 926 CA LEU A 57 25.103 8.378 0.661 1.00 0.00 C ATOM 927 C LEU A 57 23.838 7.797 0.014 1.00 0.00 C ATOM 928 O LEU A 57 22.916 7.352 0.699 1.00 0.00 O ATOM 929 CB LEU A 57 24.981 9.917 0.656 1.00 0.00 C ATOM 930 CG LEU A 57 26.020 10.738 1.450 1.00 0.00 C ATOM 931 CD1 LEU A 57 25.679 12.226 1.313 1.00 0.00 C ATOM 932 CD2 LEU A 57 26.049 10.401 2.945 1.00 0.00 C ATOM 0 H LEU A 57 26.900 8.653 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 57 25.205 8.040 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 57 25.017 10.250 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 57 23.993 10.173 1.038 1.00 0.00 H new ATOM 0 HG LEU A 57 26.998 10.493 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 57 26.405 12.818 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 57 25.708 12.511 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 57 24.681 12.409 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 57 26.801 11.014 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 57 25.071 10.601 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 57 26.296 9.347 3.076 1.00 0.00 H new ATOM 944 N ARG A 58 23.820 7.758 -1.322 1.00 0.00 N ATOM 945 CA ARG A 58 22.715 7.232 -2.130 1.00 0.00 C ATOM 946 C ARG A 58 22.398 5.750 -1.869 1.00 0.00 C ATOM 947 O ARG A 58 21.296 5.319 -2.200 1.00 0.00 O ATOM 948 CB ARG A 58 23.011 7.511 -3.619 1.00 0.00 C ATOM 949 CG ARG A 58 24.235 6.729 -4.120 1.00 0.00 C ATOM 950 CD ARG A 58 24.811 7.242 -5.445 1.00 0.00 C ATOM 951 NE ARG A 58 25.493 8.546 -5.306 1.00 0.00 N ATOM 952 CZ ARG A 58 26.155 9.196 -6.273 1.00 0.00 C ATOM 953 NH1 ARG A 58 26.354 8.638 -7.458 1.00 0.00 N ATOM 954 NH2 ARG A 58 26.607 10.427 -6.084 1.00 0.00 N ATOM 0 H ARG A 58 24.596 8.101 -1.888 1.00 0.00 H new ATOM 0 HA ARG A 58 21.806 7.754 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 58 22.140 7.244 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 58 23.180 8.578 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 58 25.014 6.769 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 58 23.959 5.681 -4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 58 25.515 6.509 -5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 58 24.006 7.334 -6.174 1.00 0.00 H new ATOM 0 HE ARG A 58 25.456 8.992 -4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 58 26.001 7.700 -7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 58 26.860 9.147 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 58 26.453 10.895 -5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 58 27.109 10.906 -6.831 1.00 0.00 H new ATOM 968 N LEU A 59 23.302 4.970 -1.262 1.00 0.00 N ATOM 969 CA LEU A 59 23.062 3.550 -0.964 1.00 0.00 C ATOM 970 C LEU A 59 21.849 3.411 -0.042 1.00 0.00 C ATOM 971 O LEU A 59 20.982 2.565 -0.261 1.00 0.00 O ATOM 972 CB LEU A 59 24.320 2.936 -0.311 1.00 0.00 C ATOM 973 CG LEU A 59 24.638 1.482 -0.711 1.00 0.00 C ATOM 974 CD1 LEU A 59 26.043 1.131 -0.195 1.00 0.00 C ATOM 975 CD2 LEU A 59 23.619 0.473 -0.179 1.00 0.00 C ATOM 0 H LEU A 59 24.219 5.304 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 59 22.854 3.013 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 59 25.178 3.559 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 59 24.202 2.978 0.772 1.00 0.00 H new ATOM 0 HG LEU A 59 24.590 1.418 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 59 26.285 0.104 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 59 26.773 1.807 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 59 26.068 1.232 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 59 23.901 -0.531 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 59 23.598 0.517 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 59 22.631 0.713 -0.571 1.00 0.00 H new ATOM 987 N ARG A 60 21.742 4.302 0.952 1.00 0.00 N ATOM 988 CA ARG A 60 20.625 4.311 1.901 1.00 0.00 C ATOM 989 C ARG A 60 19.297 4.514 1.175 1.00 0.00 C ATOM 990 O ARG A 60 18.271 3.969 1.582 1.00 0.00 O ATOM 991 CB ARG A 60 20.820 5.414 2.958 1.00 0.00 C ATOM 992 CG ARG A 60 22.180 5.345 3.676 1.00 0.00 C ATOM 993 CD ARG A 60 22.255 6.299 4.874 1.00 0.00 C ATOM 994 NE ARG A 60 21.527 5.772 6.042 1.00 0.00 N ATOM 995 CZ ARG A 60 21.741 6.137 7.312 1.00 0.00 C ATOM 996 NH1 ARG A 60 22.541 7.159 7.597 1.00 0.00 N ATOM 997 NH2 ARG A 60 21.152 5.468 8.299 1.00 0.00 N ATOM 0 H ARG A 60 22.429 5.037 1.120 1.00 0.00 H new ATOM 0 HA ARG A 60 20.603 3.343 2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 60 20.721 6.388 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.023 5.341 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.358 4.325 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 60 22.974 5.589 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 60 23.299 6.465 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 60 21.840 7.267 4.594 1.00 0.00 H new ATOM 0 HE ARG A 60 20.803 5.074 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 60 22.999 7.674 6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 60 22.697 7.429 8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 60 20.540 4.680 8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 60 21.312 5.743 9.268 1.00 0.00 H new ATOM 1011 N LEU A 61 19.313 5.289 0.088 1.00 0.00 N ATOM 1012 CA LEU A 61 18.115 5.595 -0.675 1.00 0.00 C ATOM 1013 C LEU A 61 17.722 4.419 -1.544 1.00 0.00 C ATOM 1014 O LEU A 61 16.525 4.165 -1.649 1.00 0.00 O ATOM 1015 CB LEU A 61 18.275 6.906 -1.458 1.00 0.00 C ATOM 1016 CG LEU A 61 17.726 8.099 -0.651 1.00 0.00 C ATOM 1017 CD1 LEU A 61 18.185 8.120 0.806 1.00 0.00 C ATOM 1018 CD2 LEU A 61 18.146 9.411 -1.291 1.00 0.00 C ATOM 0 H LEU A 61 20.160 5.719 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 61 17.288 5.760 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.328 7.071 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 17.749 6.832 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 61 16.643 7.979 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.759 8.988 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.852 7.210 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 61 19.273 8.177 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.750 10.243 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.234 9.471 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.756 9.461 -2.307 1.00 0.00 H new ATOM 1030 N TYR A 62 18.662 3.654 -2.105 1.00 0.00 N ATOM 1031 CA TYR A 62 18.284 2.400 -2.745 1.00 0.00 C ATOM 1032 C TYR A 62 17.631 1.481 -1.703 1.00 0.00 C ATOM 1033 O TYR A 62 16.612 0.853 -1.995 1.00 0.00 O ATOM 1034 CB TYR A 62 19.494 1.716 -3.401 1.00 0.00 C ATOM 1035 CG TYR A 62 19.182 0.290 -3.826 1.00 0.00 C ATOM 1036 CD1 TYR A 62 18.493 0.040 -5.028 1.00 0.00 C ATOM 1037 CD2 TYR A 62 19.487 -0.778 -2.956 1.00 0.00 C ATOM 1038 CE1 TYR A 62 18.102 -1.271 -5.358 1.00 0.00 C ATOM 1039 CE2 TYR A 62 19.103 -2.090 -3.280 1.00 0.00 C ATOM 1040 CZ TYR A 62 18.400 -2.342 -4.482 1.00 0.00 C ATOM 1041 OH TYR A 62 18.024 -3.609 -4.807 1.00 0.00 O ATOM 0 H TYR A 62 19.658 3.874 -2.128 1.00 0.00 H new ATOM 0 HA TYR A 62 17.569 2.611 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.809 2.293 -4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.330 1.711 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.264 0.856 -5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.019 -0.586 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.574 -1.460 -6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.344 -2.905 -2.613 1.00 0.00 H new ATOM 0 HH TYR A 62 18.306 -4.226 -4.099 1.00 0.00 H new ATOM 1051 N ASP A 63 18.195 1.421 -0.489 1.00 0.00 N ATOM 1052 CA ASP A 63 17.783 0.451 0.518 1.00 0.00 C ATOM 1053 C ASP A 63 16.357 0.678 1.016 1.00 0.00 C ATOM 1054 O ASP A 63 15.586 -0.283 1.074 1.00 0.00 O ATOM 1055 CB ASP A 63 18.730 0.482 1.723 1.00 0.00 C ATOM 1056 CG ASP A 63 18.369 -0.630 2.722 1.00 0.00 C ATOM 1057 OD1 ASP A 63 18.586 -1.822 2.409 1.00 0.00 O ATOM 1058 OD2 ASP A 63 17.895 -0.318 3.837 1.00 0.00 O ATOM 0 H ASP A 63 18.945 2.042 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 63 17.822 -0.521 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.759 0.357 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.671 1.453 2.214 1.00 0.00 H new ATOM 1063 N ASN A 64 15.975 1.925 1.340 1.00 0.00 N ATOM 1064 CA ASN A 64 14.713 2.181 2.039 1.00 0.00 C ATOM 1065 C ASN A 64 13.940 3.415 1.545 1.00 0.00 C ATOM 1066 O ASN A 64 13.039 3.882 2.239 1.00 0.00 O ATOM 1067 CB ASN A 64 15.016 2.244 3.543 1.00 0.00 C ATOM 1068 CG ASN A 64 13.741 2.137 4.372 1.00 0.00 C ATOM 1069 OD1 ASN A 64 13.056 1.117 4.360 1.00 0.00 O ATOM 1070 ND2 ASN A 64 13.406 3.183 5.099 1.00 0.00 N ATOM 0 H ASN A 64 16.519 2.762 1.130 1.00 0.00 H new ATOM 0 HA ASN A 64 14.031 1.360 1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.696 1.436 3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.525 3.180 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.561 3.158 5.669 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.992 4.018 5.092 1.00 0.00 H new ATOM 1077 N PHE A 65 14.243 3.959 0.362 1.00 0.00 N ATOM 1078 CA PHE A 65 13.476 5.076 -0.197 1.00 0.00 C ATOM 1079 C PHE A 65 12.991 4.724 -1.597 1.00 0.00 C ATOM 1080 O PHE A 65 11.790 4.592 -1.816 1.00 0.00 O ATOM 1081 CB PHE A 65 14.318 6.356 -0.181 1.00 0.00 C ATOM 1082 CG PHE A 65 13.654 7.535 -0.860 1.00 0.00 C ATOM 1083 CD1 PHE A 65 12.655 8.261 -0.191 1.00 0.00 C ATOM 1084 CD2 PHE A 65 14.012 7.891 -2.172 1.00 0.00 C ATOM 1085 CE1 PHE A 65 11.985 9.309 -0.848 1.00 0.00 C ATOM 1086 CE2 PHE A 65 13.353 8.945 -2.822 1.00 0.00 C ATOM 1087 CZ PHE A 65 12.328 9.645 -2.164 1.00 0.00 C ATOM 0 H PHE A 65 15.014 3.644 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 65 12.596 5.260 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.538 6.621 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.272 6.158 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.401 8.014 0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.797 7.351 -2.681 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.206 9.855 -0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.634 9.218 -3.828 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.805 10.441 -2.672 1.00 0.00 H new ATOM 1097 N VAL A 66 13.911 4.494 -2.530 1.00 0.00 N ATOM 1098 CA VAL A 66 13.602 4.118 -3.900 1.00 0.00 C ATOM 1099 C VAL A 66 12.870 2.768 -3.886 1.00 0.00 C ATOM 1100 O VAL A 66 11.905 2.583 -4.624 1.00 0.00 O ATOM 1101 CB VAL A 66 14.911 4.124 -4.721 1.00 0.00 C ATOM 1102 CG1 VAL A 66 14.670 3.778 -6.197 1.00 0.00 C ATOM 1103 CG2 VAL A 66 15.612 5.499 -4.644 1.00 0.00 C ATOM 0 H VAL A 66 14.912 4.566 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 66 12.931 4.828 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 66 15.549 3.358 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.618 3.795 -6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.229 2.784 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.992 4.509 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 66 16.530 5.473 -5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.949 6.268 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.852 5.727 -3.606 1.00 0.00 H new ATOM 1113 N SER A 67 13.227 1.861 -2.973 1.00 0.00 N ATOM 1114 CA SER A 67 12.545 0.591 -2.752 1.00 0.00 C ATOM 1115 C SER A 67 11.045 0.737 -2.438 1.00 0.00 C ATOM 1116 O SER A 67 10.294 -0.222 -2.626 1.00 0.00 O ATOM 1117 CB SER A 67 13.278 -0.150 -1.629 1.00 0.00 C ATOM 1118 OG SER A 67 13.562 0.726 -0.554 1.00 0.00 O ATOM 0 H SER A 67 14.023 1.998 -2.350 1.00 0.00 H new ATOM 0 HA SER A 67 12.578 0.021 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.667 -0.981 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.205 -0.576 -2.012 1.00 0.00 H new ATOM 0 HG SER A 67 14.193 0.296 0.060 1.00 0.00 H new ATOM 1124 N LYS A 68 10.575 1.911 -1.992 1.00 0.00 N ATOM 1125 CA LYS A 68 9.159 2.136 -1.712 1.00 0.00 C ATOM 1126 C LYS A 68 8.345 2.335 -3.003 1.00 0.00 C ATOM 1127 O LYS A 68 7.133 2.126 -2.961 1.00 0.00 O ATOM 1128 CB LYS A 68 8.970 3.348 -0.776 1.00 0.00 C ATOM 1129 CG LYS A 68 9.789 3.359 0.529 1.00 0.00 C ATOM 1130 CD LYS A 68 9.434 2.249 1.530 1.00 0.00 C ATOM 1131 CE LYS A 68 10.198 2.521 2.836 1.00 0.00 C ATOM 1132 NZ LYS A 68 9.921 1.534 3.905 1.00 0.00 N ATOM 0 H LYS A 68 11.166 2.724 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 68 8.785 1.242 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.214 4.250 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.914 3.412 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.846 3.275 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.653 4.324 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.360 2.232 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.704 1.273 1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.268 2.526 2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.940 3.516 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.402 1.826 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.896 1.483 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.271 0.599 3.613 1.00 0.00 H new ATOM 1146 N PHE A 69 8.957 2.745 -4.128 1.00 0.00 N ATOM 1147 CA PHE A 69 8.219 3.161 -5.333 1.00 0.00 C ATOM 1148 C PHE A 69 8.940 2.866 -6.661 1.00 0.00 C ATOM 1149 O PHE A 69 8.477 3.330 -7.701 1.00 0.00 O ATOM 1150 CB PHE A 69 7.854 4.658 -5.226 1.00 0.00 C ATOM 1151 CG PHE A 69 9.039 5.606 -5.137 1.00 0.00 C ATOM 1152 CD1 PHE A 69 9.680 6.075 -6.302 1.00 0.00 C ATOM 1153 CD2 PHE A 69 9.507 6.022 -3.876 1.00 0.00 C ATOM 1154 CE1 PHE A 69 10.800 6.917 -6.200 1.00 0.00 C ATOM 1155 CE2 PHE A 69 10.630 6.853 -3.775 1.00 0.00 C ATOM 1156 CZ PHE A 69 11.283 7.288 -4.937 1.00 0.00 C ATOM 0 H PHE A 69 9.971 2.797 -4.227 1.00 0.00 H new ATOM 0 HA PHE A 69 7.316 2.551 -5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.253 4.932 -6.093 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.227 4.801 -4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.309 5.786 -7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.997 5.698 -2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.288 7.278 -7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.992 7.158 -2.804 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.162 7.911 -4.859 1.00 0.00 H new ATOM 1166 N TYR A 70 10.046 2.115 -6.656 1.00 0.00 N ATOM 1167 CA TYR A 70 10.953 1.907 -7.792 1.00 0.00 C ATOM 1168 C TYR A 70 10.259 1.644 -9.135 1.00 0.00 C ATOM 1169 O TYR A 70 10.694 2.172 -10.156 1.00 0.00 O ATOM 1170 CB TYR A 70 11.949 0.780 -7.475 1.00 0.00 C ATOM 1171 CG TYR A 70 11.299 -0.564 -7.215 1.00 0.00 C ATOM 1172 CD1 TYR A 70 10.778 -0.857 -5.943 1.00 0.00 C ATOM 1173 CD2 TYR A 70 11.152 -1.494 -8.258 1.00 0.00 C ATOM 1174 CE1 TYR A 70 10.107 -2.066 -5.713 1.00 0.00 C ATOM 1175 CE2 TYR A 70 10.482 -2.707 -8.039 1.00 0.00 C ATOM 1176 CZ TYR A 70 9.954 -3.004 -6.760 1.00 0.00 C ATOM 1177 OH TYR A 70 9.297 -4.175 -6.526 1.00 0.00 O ATOM 0 H TYR A 70 10.348 1.612 -5.822 1.00 0.00 H new ATOM 0 HA TYR A 70 11.477 2.854 -7.922 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.645 0.680 -8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.536 1.063 -6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.895 -0.147 -5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.557 -1.274 -9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.706 -2.282 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 70 10.369 -3.415 -8.847 1.00 0.00 H new ATOM 0 HH TYR A 70 9.277 -4.709 -7.348 1.00 0.00 H new ATOM 1187 N ASP A 71 9.175 0.862 -9.147 1.00 0.00 N ATOM 1188 CA ASP A 71 8.445 0.500 -10.365 1.00 0.00 C ATOM 1189 C ASP A 71 7.898 1.722 -11.118 1.00 0.00 C ATOM 1190 O ASP A 71 7.737 1.678 -12.339 1.00 0.00 O ATOM 1191 CB ASP A 71 7.298 -0.448 -10.001 1.00 0.00 C ATOM 1192 CG ASP A 71 6.447 -0.810 -11.230 1.00 0.00 C ATOM 1193 OD1 ASP A 71 6.926 -1.570 -12.100 1.00 0.00 O ATOM 1194 OD2 ASP A 71 5.279 -0.368 -11.306 1.00 0.00 O ATOM 0 H ASP A 71 8.775 0.458 -8.300 1.00 0.00 H new ATOM 0 HA ASP A 71 9.149 0.008 -11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.704 -1.358 -9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.666 0.019 -9.245 1.00 0.00 H new ATOM 1199 N LYS A 72 7.631 2.828 -10.413 1.00 0.00 N ATOM 1200 CA LYS A 72 7.081 4.049 -10.997 1.00 0.00 C ATOM 1201 C LYS A 72 8.133 4.837 -11.784 1.00 0.00 C ATOM 1202 O LYS A 72 7.745 5.765 -12.494 1.00 0.00 O ATOM 1203 CB LYS A 72 6.468 4.947 -9.899 1.00 0.00 C ATOM 1204 CG LYS A 72 5.081 4.516 -9.386 1.00 0.00 C ATOM 1205 CD LYS A 72 5.024 3.157 -8.674 1.00 0.00 C ATOM 1206 CE LYS A 72 3.622 2.941 -8.087 1.00 0.00 C ATOM 1207 NZ LYS A 72 3.475 1.615 -7.435 1.00 0.00 N ATOM 0 H LYS A 72 7.794 2.897 -9.409 1.00 0.00 H new ATOM 0 HA LYS A 72 6.301 3.745 -11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.155 4.977 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.393 5.963 -10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.715 5.280 -8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.394 4.491 -10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.263 2.357 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.771 3.119 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.412 3.725 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.881 3.036 -8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.511 1.520 -7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.648 0.864 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.162 1.532 -6.659 1.00 0.00 H new ATOM 1221 N ILE A 73 9.429 4.520 -11.678 1.00 0.00 N ATOM 1222 CA ILE A 73 10.499 5.357 -12.220 1.00 0.00 C ATOM 1223 C ILE A 73 11.510 4.535 -13.020 1.00 0.00 C ATOM 1224 O ILE A 73 11.443 3.303 -13.068 1.00 0.00 O ATOM 1225 CB ILE A 73 11.161 6.193 -11.099 1.00 0.00 C ATOM 1226 CG1 ILE A 73 11.863 5.342 -10.018 1.00 0.00 C ATOM 1227 CG2 ILE A 73 10.115 7.126 -10.466 1.00 0.00 C ATOM 1228 CD1 ILE A 73 12.985 6.120 -9.319 1.00 0.00 C ATOM 0 H ILE A 73 9.762 3.675 -11.214 1.00 0.00 H new ATOM 0 HA ILE A 73 10.058 6.060 -12.926 1.00 0.00 H new ATOM 0 HB ILE A 73 11.952 6.779 -11.567 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.131 5.018 -9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.275 4.442 -10.475 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.583 7.714 -9.676 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.715 7.795 -11.228 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.305 6.531 -10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.453 5.486 -8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.731 6.422 -10.054 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.569 7.006 -8.839 1.00 0.00 H new ATOM 1240 N ASN A 74 12.429 5.230 -13.699 1.00 0.00 N ATOM 1241 CA ASN A 74 13.363 4.626 -14.637 1.00 0.00 C ATOM 1242 C ASN A 74 14.284 3.615 -13.954 1.00 0.00 C ATOM 1243 O ASN A 74 15.030 3.956 -13.035 1.00 0.00 O ATOM 1244 CB ASN A 74 14.192 5.735 -15.300 1.00 0.00 C ATOM 1245 CG ASN A 74 15.320 5.184 -16.167 1.00 0.00 C ATOM 1246 OD1 ASN A 74 15.193 4.142 -16.800 1.00 0.00 O ATOM 1247 ND2 ASN A 74 16.466 5.837 -16.174 1.00 0.00 N ATOM 0 H ASN A 74 12.541 6.240 -13.607 1.00 0.00 H new ATOM 0 HA ASN A 74 12.792 4.083 -15.390 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.538 6.356 -15.912 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.613 6.380 -14.528 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.256 5.476 -16.709 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.563 6.703 -15.644 1.00 0.00 H new ATOM 1254 N GLN A 75 14.279 2.386 -14.462 1.00 0.00 N ATOM 1255 CA GLN A 75 15.043 1.277 -13.904 1.00 0.00 C ATOM 1256 C GLN A 75 16.560 1.497 -14.017 1.00 0.00 C ATOM 1257 O GLN A 75 17.308 1.004 -13.174 1.00 0.00 O ATOM 1258 CB GLN A 75 14.625 -0.037 -14.587 1.00 0.00 C ATOM 1259 CG GLN A 75 13.136 -0.384 -14.389 1.00 0.00 C ATOM 1260 CD GLN A 75 12.210 0.210 -15.450 1.00 0.00 C ATOM 1261 OE1 GLN A 75 12.122 -0.300 -16.564 1.00 0.00 O ATOM 1262 NE2 GLN A 75 11.504 1.292 -15.157 1.00 0.00 N ATOM 0 H GLN A 75 13.735 2.130 -15.286 1.00 0.00 H new ATOM 0 HA GLN A 75 14.817 1.218 -12.839 1.00 0.00 H new ATOM 0 HB2 GLN A 75 14.835 0.034 -15.654 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.235 -0.851 -14.196 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.024 -1.468 -14.390 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.819 -0.032 -13.407 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.578 1.714 -14.231 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.886 1.703 -15.857 1.00 0.00 H new ATOM 1271 N LEU A 76 17.016 2.279 -15.007 1.00 0.00 N ATOM 1272 CA LEU A 76 18.436 2.635 -15.098 1.00 0.00 C ATOM 1273 C LEU A 76 18.797 3.679 -14.040 1.00 0.00 C ATOM 1274 O LEU A 76 19.932 3.681 -13.573 1.00 0.00 O ATOM 1275 CB LEU A 76 18.817 3.117 -16.509 1.00 0.00 C ATOM 1276 CG LEU A 76 18.787 2.012 -17.582 1.00 0.00 C ATOM 1277 CD1 LEU A 76 19.145 2.605 -18.950 1.00 0.00 C ATOM 1278 CD2 LEU A 76 19.754 0.864 -17.264 1.00 0.00 C ATOM 0 H LEU A 76 16.431 2.671 -15.745 1.00 0.00 H new ATOM 0 HA LEU A 76 19.016 1.733 -14.903 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.135 3.914 -16.805 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.817 3.549 -16.476 1.00 0.00 H new ATOM 0 HG LEU A 76 17.776 1.605 -17.595 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.122 1.819 -19.705 1.00 0.00 H new ATOM 0 HD12 LEU A 76 18.424 3.379 -19.211 1.00 0.00 H new ATOM 0 HD13 LEU A 76 20.144 3.039 -18.908 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.696 0.111 -18.050 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.772 1.251 -17.207 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.483 0.414 -16.309 1.00 0.00 H new ATOM 1290 N SER A 77 17.872 4.542 -13.612 1.00 0.00 N ATOM 1291 CA SER A 77 18.144 5.473 -12.528 1.00 0.00 C ATOM 1292 C SER A 77 18.311 4.718 -11.211 1.00 0.00 C ATOM 1293 O SER A 77 19.298 4.963 -10.518 1.00 0.00 O ATOM 1294 CB SER A 77 17.066 6.555 -12.453 1.00 0.00 C ATOM 1295 OG SER A 77 16.947 7.207 -13.709 1.00 0.00 O ATOM 0 H SER A 77 16.932 4.611 -14.002 1.00 0.00 H new ATOM 0 HA SER A 77 19.085 5.986 -12.728 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.111 6.110 -12.172 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.319 7.280 -11.680 1.00 0.00 H new ATOM 0 HG SER A 77 16.254 7.898 -13.655 1.00 0.00 H new ATOM 1301 N VAL A 78 17.428 3.761 -10.884 1.00 0.00 N ATOM 1302 CA VAL A 78 17.528 3.068 -9.597 1.00 0.00 C ATOM 1303 C VAL A 78 18.863 2.326 -9.493 1.00 0.00 C ATOM 1304 O VAL A 78 19.563 2.443 -8.477 1.00 0.00 O ATOM 1305 CB VAL A 78 16.295 2.196 -9.259 1.00 0.00 C ATOM 1306 CG1 VAL A 78 14.987 2.945 -9.557 1.00 0.00 C ATOM 1307 CG2 VAL A 78 16.241 0.821 -9.936 1.00 0.00 C ATOM 0 H VAL A 78 16.657 3.457 -11.478 1.00 0.00 H new ATOM 0 HA VAL A 78 17.519 3.827 -8.815 1.00 0.00 H new ATOM 0 HB VAL A 78 16.407 2.003 -8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 78 14.138 2.307 -9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 78 14.944 3.855 -8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.949 3.205 -10.615 1.00 0.00 H new ATOM 0 HG21 VAL A 78 15.336 0.299 -9.627 1.00 0.00 H new ATOM 0 HG22 VAL A 78 16.235 0.948 -11.019 1.00 0.00 H new ATOM 0 HG23 VAL A 78 17.114 0.237 -9.644 1.00 0.00 H new ATOM 1317 N VAL A 79 19.273 1.623 -10.558 1.00 0.00 N ATOM 1318 CA VAL A 79 20.564 0.970 -10.546 1.00 0.00 C ATOM 1319 C VAL A 79 21.686 1.992 -10.523 1.00 0.00 C ATOM 1320 O VAL A 79 22.622 1.747 -9.788 1.00 0.00 O ATOM 1321 CB VAL A 79 20.723 -0.050 -11.679 1.00 0.00 C ATOM 1322 CG1 VAL A 79 19.740 -1.207 -11.489 1.00 0.00 C ATOM 1323 CG2 VAL A 79 20.616 0.576 -13.065 1.00 0.00 C ATOM 0 H VAL A 79 18.734 1.500 -11.415 1.00 0.00 H new ATOM 0 HA VAL A 79 20.626 0.392 -9.624 1.00 0.00 H new ATOM 0 HB VAL A 79 21.736 -0.447 -11.622 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.862 -1.925 -12.300 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.936 -1.699 -10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.720 -0.823 -11.495 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.737 -0.197 -13.824 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.639 1.045 -13.178 1.00 0.00 H new ATOM 0 HG23 VAL A 79 21.396 1.328 -13.186 1.00 0.00 H new ATOM 1333 N LYS A 80 21.640 3.131 -11.231 1.00 0.00 N ATOM 1334 CA LYS A 80 22.736 4.110 -11.183 1.00 0.00 C ATOM 1335 C LYS A 80 23.057 4.525 -9.747 1.00 0.00 C ATOM 1336 O LYS A 80 24.232 4.665 -9.403 1.00 0.00 O ATOM 1337 CB LYS A 80 22.424 5.327 -12.072 1.00 0.00 C ATOM 1338 CG LYS A 80 22.893 5.094 -13.519 1.00 0.00 C ATOM 1339 CD LYS A 80 22.639 6.291 -14.447 1.00 0.00 C ATOM 1340 CE LYS A 80 21.145 6.613 -14.600 1.00 0.00 C ATOM 1341 NZ LYS A 80 20.901 7.702 -15.582 1.00 0.00 N ATOM 0 H LYS A 80 20.864 3.395 -11.838 1.00 0.00 H new ATOM 0 HA LYS A 80 23.630 3.630 -11.581 1.00 0.00 H new ATOM 0 HB2 LYS A 80 21.352 5.523 -12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 80 22.914 6.212 -11.666 1.00 0.00 H new ATOM 0 HG2 LYS A 80 23.959 4.868 -13.515 1.00 0.00 H new ATOM 0 HG3 LYS A 80 22.383 4.218 -13.921 1.00 0.00 H new ATOM 0 HD2 LYS A 80 23.157 7.166 -14.055 1.00 0.00 H new ATOM 0 HD3 LYS A 80 23.064 6.082 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.613 5.716 -14.916 1.00 0.00 H new ATOM 0 HE3 LYS A 80 20.737 6.902 -13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.879 7.884 -15.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.386 8.567 -15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 21.266 7.418 -16.513 1.00 0.00 H new ATOM 1355 N TYR A 81 22.037 4.656 -8.898 1.00 0.00 N ATOM 1356 CA TYR A 81 22.231 4.986 -7.491 1.00 0.00 C ATOM 1357 C TYR A 81 23.017 3.861 -6.803 1.00 0.00 C ATOM 1358 O TYR A 81 24.089 4.090 -6.226 1.00 0.00 O ATOM 1359 CB TYR A 81 20.876 5.230 -6.791 1.00 0.00 C ATOM 1360 CG TYR A 81 19.845 6.090 -7.516 1.00 0.00 C ATOM 1361 CD1 TYR A 81 20.225 7.197 -8.303 1.00 0.00 C ATOM 1362 CD2 TYR A 81 18.478 5.767 -7.398 1.00 0.00 C ATOM 1363 CE1 TYR A 81 19.254 7.962 -8.977 1.00 0.00 C ATOM 1364 CE2 TYR A 81 17.500 6.521 -8.071 1.00 0.00 C ATOM 1365 CZ TYR A 81 17.886 7.630 -8.857 1.00 0.00 C ATOM 1366 OH TYR A 81 16.944 8.396 -9.476 1.00 0.00 O ATOM 0 H TYR A 81 21.060 4.537 -9.167 1.00 0.00 H new ATOM 0 HA TYR A 81 22.805 5.909 -7.418 1.00 0.00 H new ATOM 0 HB2 TYR A 81 20.422 4.259 -6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.077 5.692 -5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.269 7.460 -8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.178 4.931 -6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.555 8.802 -9.585 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.457 6.253 -7.987 1.00 0.00 H new ATOM 0 HH TYR A 81 16.053 8.030 -9.294 1.00 0.00 H new ATOM 1376 N LEU A 82 22.495 2.631 -6.897 1.00 0.00 N ATOM 1377 CA LEU A 82 23.102 1.470 -6.248 1.00 0.00 C ATOM 1378 C LEU A 82 24.495 1.177 -6.809 1.00 0.00 C ATOM 1379 O LEU A 82 25.388 0.787 -6.067 1.00 0.00 O ATOM 1380 CB LEU A 82 22.185 0.251 -6.424 1.00 0.00 C ATOM 1381 CG LEU A 82 22.730 -1.041 -5.781 1.00 0.00 C ATOM 1382 CD1 LEU A 82 22.952 -0.920 -4.269 1.00 0.00 C ATOM 1383 CD2 LEU A 82 21.745 -2.177 -6.061 1.00 0.00 C ATOM 0 H LEU A 82 21.647 2.417 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 82 23.219 1.689 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 82 21.210 0.477 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 82 22.029 0.077 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 82 23.706 -1.240 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.336 -1.864 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.672 -0.126 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 82 22.007 -0.684 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 82 22.116 -3.099 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 82 20.774 -1.930 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.643 -2.313 -7.138 1.00 0.00 H new ATOM 1395 N LEU A 83 24.681 1.361 -8.116 1.00 0.00 N ATOM 1396 CA LEU A 83 25.908 1.079 -8.838 1.00 0.00 C ATOM 1397 C LEU A 83 27.009 1.933 -8.237 1.00 0.00 C ATOM 1398 O LEU A 83 27.950 1.370 -7.695 1.00 0.00 O ATOM 1399 CB LEU A 83 25.737 1.352 -10.350 1.00 0.00 C ATOM 1400 CG LEU A 83 24.990 0.237 -11.118 1.00 0.00 C ATOM 1401 CD1 LEU A 83 24.397 0.760 -12.438 1.00 0.00 C ATOM 1402 CD2 LEU A 83 25.918 -0.945 -11.424 1.00 0.00 C ATOM 0 H LEU A 83 23.945 1.727 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 83 26.168 0.025 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 83 25.197 2.290 -10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 83 26.722 1.487 -10.796 1.00 0.00 H new ATOM 0 HG LEU A 83 24.179 -0.098 -10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 83 23.879 -0.051 -12.951 1.00 0.00 H new ATOM 0 HD12 LEU A 83 23.692 1.564 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 83 25.199 1.138 -13.073 1.00 0.00 H new ATOM 0 HD21 LEU A 83 25.364 -1.712 -11.964 1.00 0.00 H new ATOM 0 HD22 LEU A 83 26.754 -0.603 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 83 26.297 -1.361 -10.491 1.00 0.00 H new ATOM 1414 N ALA A 84 26.898 3.267 -8.250 1.00 0.00 N ATOM 1415 CA ALA A 84 28.012 4.077 -7.764 1.00 0.00 C ATOM 1416 C ALA A 84 28.316 3.776 -6.301 1.00 0.00 C ATOM 1417 O ALA A 84 29.487 3.690 -5.932 1.00 0.00 O ATOM 1418 CB ALA A 84 27.730 5.577 -7.891 1.00 0.00 C ATOM 0 H ALA A 84 26.084 3.787 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 84 28.868 3.817 -8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 84 28.585 6.141 -7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 84 27.559 5.828 -8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 84 26.845 5.832 -7.308 1.00 0.00 H new ATOM 1424 N SER A 85 27.284 3.605 -5.473 1.00 0.00 N ATOM 1425 CA SER A 85 27.504 3.407 -4.051 1.00 0.00 C ATOM 1426 C SER A 85 28.180 2.059 -3.775 1.00 0.00 C ATOM 1427 O SER A 85 29.158 1.984 -3.026 1.00 0.00 O ATOM 1428 CB SER A 85 26.186 3.579 -3.294 1.00 0.00 C ATOM 1429 OG SER A 85 25.076 2.956 -3.914 1.00 0.00 O ATOM 0 H SER A 85 26.306 3.600 -5.762 1.00 0.00 H new ATOM 0 HA SER A 85 28.194 4.167 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 85 26.302 3.174 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 85 25.978 4.644 -3.186 1.00 0.00 H new ATOM 0 HG SER A 85 24.737 3.531 -4.632 1.00 0.00 H new ATOM 1435 N LEU A 86 27.705 0.988 -4.410 1.00 0.00 N ATOM 1436 CA LEU A 86 28.187 -0.366 -4.171 1.00 0.00 C ATOM 1437 C LEU A 86 29.502 -0.652 -4.911 1.00 0.00 C ATOM 1438 O LEU A 86 30.258 -1.522 -4.485 1.00 0.00 O ATOM 1439 CB LEU A 86 27.075 -1.346 -4.569 1.00 0.00 C ATOM 1440 CG LEU A 86 27.286 -2.805 -4.136 1.00 0.00 C ATOM 1441 CD1 LEU A 86 27.556 -2.964 -2.634 1.00 0.00 C ATOM 1442 CD2 LEU A 86 26.019 -3.589 -4.487 1.00 0.00 C ATOM 0 H LEU A 86 26.967 1.040 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 86 28.420 -0.488 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 86 26.135 -0.993 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 86 26.964 -1.320 -5.653 1.00 0.00 H new ATOM 0 HG LEU A 86 28.167 -3.178 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 86 27.695 -4.019 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 86 28.456 -2.411 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 86 26.709 -2.575 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 86 26.142 -4.631 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 86 25.167 -3.159 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 86 25.845 -3.537 -5.562 1.00 0.00 H new ATOM 1454 N LYS A 87 29.800 0.082 -5.989 1.00 0.00 N ATOM 1455 CA LYS A 87 31.089 -0.002 -6.685 1.00 0.00 C ATOM 1456 C LYS A 87 32.153 0.796 -5.933 1.00 0.00 C ATOM 1457 O LYS A 87 33.314 0.391 -5.927 1.00 0.00 O ATOM 1458 CB LYS A 87 30.971 0.521 -8.129 1.00 0.00 C ATOM 1459 CG LYS A 87 30.045 -0.312 -9.039 1.00 0.00 C ATOM 1460 CD LYS A 87 30.628 -1.645 -9.535 1.00 0.00 C ATOM 1461 CE LYS A 87 31.698 -1.447 -10.618 1.00 0.00 C ATOM 1462 NZ LYS A 87 32.246 -2.742 -11.098 1.00 0.00 N ATOM 0 H LYS A 87 29.153 0.752 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 87 31.384 -1.051 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 87 30.604 1.547 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 87 31.966 0.550 -8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 87 29.122 -0.519 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 87 29.777 0.292 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 87 31.062 -2.185 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 87 29.824 -2.265 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 87 31.268 -0.901 -11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 87 32.508 -0.835 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 32.876 -2.573 -11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 32.781 -3.198 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 31.464 -3.363 -11.391 1.00 0.00 H new ATOM 1476 N ASP A 88 31.780 1.924 -5.318 1.00 0.00 N ATOM 1477 CA ASP A 88 32.698 2.712 -4.491 1.00 0.00 C ATOM 1478 C ASP A 88 33.019 1.985 -3.184 1.00 0.00 C ATOM 1479 O ASP A 88 34.148 2.067 -2.697 1.00 0.00 O ATOM 1480 CB ASP A 88 32.109 4.088 -4.182 1.00 0.00 C ATOM 1481 CG ASP A 88 33.051 4.902 -3.279 1.00 0.00 C ATOM 1482 OD1 ASP A 88 34.098 5.379 -3.770 1.00 0.00 O ATOM 1483 OD2 ASP A 88 32.733 5.089 -2.084 1.00 0.00 O ATOM 0 H ASP A 88 30.839 2.314 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 88 33.620 2.842 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.933 4.629 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.142 3.972 -3.693 1.00 0.00 H new ATOM 1488 N SER A 89 32.046 1.246 -2.639 1.00 0.00 N ATOM 1489 CA SER A 89 32.262 0.335 -1.520 1.00 0.00 C ATOM 1490 C SER A 89 33.366 -0.680 -1.873 1.00 0.00 C ATOM 1491 O SER A 89 33.489 -1.106 -3.024 1.00 0.00 O ATOM 1492 CB SER A 89 30.943 -0.359 -1.156 1.00 0.00 C ATOM 1493 OG SER A 89 29.945 0.587 -0.804 1.00 0.00 O ATOM 0 H SER A 89 31.081 1.267 -2.968 1.00 0.00 H new ATOM 0 HA SER A 89 32.597 0.895 -0.647 1.00 0.00 H new ATOM 0 HB2 SER A 89 30.599 -0.957 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 89 31.107 -1.045 -0.325 1.00 0.00 H new ATOM 0 HG SER A 89 29.646 1.062 -1.608 1.00 0.00 H new ATOM 1499 N LYS A 90 34.185 -1.057 -0.884 1.00 0.00 N ATOM 1500 CA LYS A 90 35.405 -1.842 -1.086 1.00 0.00 C ATOM 1501 C LYS A 90 35.064 -3.336 -1.163 1.00 0.00 C ATOM 1502 O LYS A 90 35.472 -4.123 -0.306 1.00 0.00 O ATOM 1503 CB LYS A 90 36.460 -1.520 -0.002 1.00 0.00 C ATOM 1504 CG LYS A 90 37.175 -0.164 -0.157 1.00 0.00 C ATOM 1505 CD LYS A 90 36.325 1.071 0.194 1.00 0.00 C ATOM 1506 CE LYS A 90 37.128 2.380 0.105 1.00 0.00 C ATOM 1507 NZ LYS A 90 38.162 2.507 1.164 1.00 0.00 N ATOM 0 H LYS A 90 34.015 -0.821 0.094 1.00 0.00 H new ATOM 0 HA LYS A 90 35.856 -1.565 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 90 35.974 -1.546 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 90 37.211 -2.310 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 90 38.063 -0.165 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 90 37.518 -0.068 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 90 35.471 1.125 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 90 35.927 0.960 1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 90 37.609 2.438 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 90 36.442 3.224 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 38.633 3.431 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 37.713 2.431 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 38.865 1.749 1.055 1.00 0.00 H new ATOM 1521 N ASP A 91 34.283 -3.731 -2.167 1.00 0.00 N ATOM 1522 CA ASP A 91 33.967 -5.124 -2.476 1.00 0.00 C ATOM 1523 C ASP A 91 33.783 -5.265 -3.994 1.00 0.00 C ATOM 1524 O ASP A 91 33.641 -4.257 -4.694 1.00 0.00 O ATOM 1525 CB ASP A 91 32.719 -5.574 -1.697 1.00 0.00 C ATOM 1526 CG ASP A 91 32.639 -7.105 -1.644 1.00 0.00 C ATOM 1527 OD1 ASP A 91 32.139 -7.701 -2.621 1.00 0.00 O ATOM 1528 OD2 ASP A 91 33.133 -7.707 -0.663 1.00 0.00 O ATOM 0 H ASP A 91 33.840 -3.071 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 91 34.785 -5.775 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 91 32.750 -5.171 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 91 31.823 -5.174 -2.172 1.00 0.00 H new ATOM 1533 N PHE A 92 33.808 -6.497 -4.512 1.00 0.00 N ATOM 1534 CA PHE A 92 33.838 -6.814 -5.941 1.00 0.00 C ATOM 1535 C PHE A 92 32.948 -8.026 -6.282 1.00 0.00 C ATOM 1536 O PHE A 92 32.980 -8.513 -7.414 1.00 0.00 O ATOM 1537 CB PHE A 92 35.296 -7.065 -6.372 1.00 0.00 C ATOM 1538 CG PHE A 92 36.252 -5.918 -6.091 1.00 0.00 C ATOM 1539 CD1 PHE A 92 36.298 -4.808 -6.958 1.00 0.00 C ATOM 1540 CD2 PHE A 92 37.083 -5.946 -4.952 1.00 0.00 C ATOM 1541 CE1 PHE A 92 37.168 -3.736 -6.689 1.00 0.00 C ATOM 1542 CE2 PHE A 92 37.949 -4.872 -4.682 1.00 0.00 C ATOM 1543 CZ PHE A 92 37.992 -3.766 -5.550 1.00 0.00 C ATOM 0 H PHE A 92 33.808 -7.331 -3.925 1.00 0.00 H new ATOM 0 HA PHE A 92 33.434 -5.965 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 92 35.662 -7.957 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.312 -7.279 -7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 92 35.663 -4.780 -7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 92 37.054 -6.795 -4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 92 37.203 -2.889 -7.358 1.00 0.00 H new ATOM 0 HE2 PHE A 92 38.582 -4.896 -3.807 1.00 0.00 H new ATOM 0 HZ PHE A 92 38.657 -2.941 -5.342 1.00 0.00 H new ATOM 1553 N ASP A 93 32.168 -8.534 -5.321 1.00 0.00 N ATOM 1554 CA ASP A 93 31.312 -9.712 -5.466 1.00 0.00 C ATOM 1555 C ASP A 93 29.910 -9.426 -4.929 1.00 0.00 C ATOM 1556 O ASP A 93 28.926 -9.895 -5.499 1.00 0.00 O ATOM 1557 CB ASP A 93 31.936 -10.902 -4.731 1.00 0.00 C ATOM 1558 CG ASP A 93 31.033 -12.144 -4.809 1.00 0.00 C ATOM 1559 OD1 ASP A 93 30.909 -12.738 -5.904 1.00 0.00 O ATOM 1560 OD2 ASP A 93 30.505 -12.571 -3.758 1.00 0.00 O ATOM 0 H ASP A 93 32.115 -8.121 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 93 31.227 -9.957 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 93 32.910 -11.130 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 32.106 -10.639 -3.687 1.00 0.00 H new ATOM 1565 N GLU A 94 29.788 -8.587 -3.896 1.00 0.00 N ATOM 1566 CA GLU A 94 28.493 -8.078 -3.461 1.00 0.00 C ATOM 1567 C GLU A 94 27.865 -7.265 -4.598 1.00 0.00 C ATOM 1568 O GLU A 94 26.664 -7.373 -4.822 1.00 0.00 O ATOM 1569 CB GLU A 94 28.624 -7.221 -2.192 1.00 0.00 C ATOM 1570 CG GLU A 94 28.954 -8.066 -0.956 1.00 0.00 C ATOM 1571 CD GLU A 94 28.938 -7.223 0.332 1.00 0.00 C ATOM 1572 OE1 GLU A 94 29.852 -6.395 0.545 1.00 0.00 O ATOM 1573 OE2 GLU A 94 28.016 -7.396 1.162 1.00 0.00 O ATOM 0 H GLU A 94 30.577 -8.247 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 94 27.849 -8.922 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 94 29.404 -6.474 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 94 27.693 -6.680 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 94 28.233 -8.879 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 94 29.936 -8.523 -1.079 1.00 0.00 H new ATOM 1580 N SER A 95 28.662 -6.510 -5.359 1.00 0.00 N ATOM 1581 CA SER A 95 28.201 -5.766 -6.525 1.00 0.00 C ATOM 1582 C SER A 95 27.571 -6.694 -7.568 1.00 0.00 C ATOM 1583 O SER A 95 26.457 -6.440 -8.029 1.00 0.00 O ATOM 1584 CB SER A 95 29.386 -4.967 -7.087 1.00 0.00 C ATOM 1585 OG SER A 95 30.594 -5.713 -7.011 1.00 0.00 O ATOM 0 H SER A 95 29.659 -6.400 -5.176 1.00 0.00 H new ATOM 0 HA SER A 95 27.412 -5.071 -6.237 1.00 0.00 H new ATOM 0 HB2 SER A 95 29.187 -4.698 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 95 29.496 -4.036 -6.532 1.00 0.00 H new ATOM 0 HG SER A 95 31.331 -5.181 -7.377 1.00 0.00 H new ATOM 1591 N LEU A 96 28.249 -7.799 -7.900 1.00 0.00 N ATOM 1592 CA LEU A 96 27.755 -8.826 -8.798 1.00 0.00 C ATOM 1593 C LEU A 96 26.416 -9.360 -8.283 1.00 0.00 C ATOM 1594 O LEU A 96 25.424 -9.334 -9.013 1.00 0.00 O ATOM 1595 CB LEU A 96 28.854 -9.891 -8.927 1.00 0.00 C ATOM 1596 CG LEU A 96 28.571 -11.062 -9.875 1.00 0.00 C ATOM 1597 CD1 LEU A 96 27.693 -12.143 -9.239 1.00 0.00 C ATOM 1598 CD2 LEU A 96 28.001 -10.618 -11.220 1.00 0.00 C ATOM 0 H LEU A 96 29.181 -8.000 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 96 27.547 -8.443 -9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.768 -9.398 -9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 96 29.053 -10.297 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 96 29.546 -11.508 -10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 96 27.527 -12.946 -9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 96 28.191 -12.543 -8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 96 26.735 -11.710 -8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 96 27.822 -11.492 -11.846 1.00 0.00 H new ATOM 0 HD22 LEU A 96 27.062 -10.088 -11.060 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.711 -9.956 -11.716 1.00 0.00 H new ATOM 1610 N LYS A 97 26.365 -9.804 -7.022 1.00 0.00 N ATOM 1611 CA LYS A 97 25.173 -10.438 -6.457 1.00 0.00 C ATOM 1612 C LYS A 97 23.995 -9.469 -6.394 1.00 0.00 C ATOM 1613 O LYS A 97 22.894 -9.831 -6.810 1.00 0.00 O ATOM 1614 CB LYS A 97 25.495 -10.989 -5.060 1.00 0.00 C ATOM 1615 CG LYS A 97 26.421 -12.215 -5.131 1.00 0.00 C ATOM 1616 CD LYS A 97 26.987 -12.606 -3.760 1.00 0.00 C ATOM 1617 CE LYS A 97 25.892 -13.028 -2.768 1.00 0.00 C ATOM 1618 NZ LYS A 97 26.454 -13.473 -1.468 1.00 0.00 N ATOM 0 H LYS A 97 27.145 -9.734 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 97 24.881 -11.259 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.968 -10.210 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 97 24.569 -11.261 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.870 -13.059 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 97 27.244 -12.005 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 97 27.696 -13.425 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 97 27.542 -11.764 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.213 -12.192 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.302 -13.835 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 25.679 -13.748 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.082 -14.288 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 26.995 -12.695 -1.039 1.00 0.00 H new ATOM 1632 N TYR A 98 24.206 -8.254 -5.885 1.00 0.00 N ATOM 1633 CA TYR A 98 23.147 -7.269 -5.698 1.00 0.00 C ATOM 1634 C TYR A 98 22.516 -6.910 -7.031 1.00 0.00 C ATOM 1635 O TYR A 98 21.290 -6.855 -7.117 1.00 0.00 O ATOM 1636 CB TYR A 98 23.676 -6.009 -5.006 1.00 0.00 C ATOM 1637 CG TYR A 98 23.693 -6.035 -3.480 1.00 0.00 C ATOM 1638 CD1 TYR A 98 24.296 -7.092 -2.768 1.00 0.00 C ATOM 1639 CD2 TYR A 98 23.102 -4.973 -2.763 1.00 0.00 C ATOM 1640 CE1 TYR A 98 24.316 -7.089 -1.363 1.00 0.00 C ATOM 1641 CE2 TYR A 98 23.118 -4.960 -1.357 1.00 0.00 C ATOM 1642 CZ TYR A 98 23.728 -6.021 -0.648 1.00 0.00 C ATOM 1643 OH TYR A 98 23.752 -6.028 0.715 1.00 0.00 O ATOM 0 H TYR A 98 25.126 -7.926 -5.589 1.00 0.00 H new ATOM 0 HA TYR A 98 22.387 -7.714 -5.055 1.00 0.00 H new ATOM 0 HB2 TYR A 98 24.692 -5.826 -5.357 1.00 0.00 H new ATOM 0 HB3 TYR A 98 23.070 -5.162 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 98 24.747 -7.912 -3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 98 22.633 -4.162 -3.300 1.00 0.00 H new ATOM 0 HE1 TYR A 98 24.781 -7.904 -0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 98 22.665 -4.141 -0.819 1.00 0.00 H new ATOM 0 HH TYR A 98 23.307 -5.223 1.054 1.00 0.00 H new ATOM 1653 N LEU A 99 23.316 -6.657 -8.071 1.00 0.00 N ATOM 1654 CA LEU A 99 22.762 -6.146 -9.314 1.00 0.00 C ATOM 1655 C LEU A 99 22.205 -7.293 -10.148 1.00 0.00 C ATOM 1656 O LEU A 99 21.236 -7.068 -10.866 1.00 0.00 O ATOM 1657 CB LEU A 99 23.773 -5.274 -10.074 1.00 0.00 C ATOM 1658 CG LEU A 99 23.864 -3.803 -9.619 1.00 0.00 C ATOM 1659 CD1 LEU A 99 22.570 -3.019 -9.878 1.00 0.00 C ATOM 1660 CD2 LEU A 99 24.268 -3.664 -8.147 1.00 0.00 C ATOM 0 H LEU A 99 24.326 -6.796 -8.073 1.00 0.00 H new ATOM 0 HA LEU A 99 21.929 -5.482 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 99 24.760 -5.727 -9.977 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.516 -5.292 -11.133 1.00 0.00 H new ATOM 0 HG LEU A 99 24.653 -3.368 -10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 99 22.693 -1.991 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.349 -3.024 -10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.748 -3.485 -9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.317 -2.608 -7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.530 -4.163 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 99 25.245 -4.122 -7.993 1.00 0.00 H new ATOM 1672 N ASP A 100 22.729 -8.519 -10.027 1.00 0.00 N ATOM 1673 CA ASP A 100 22.101 -9.693 -10.631 1.00 0.00 C ATOM 1674 C ASP A 100 20.721 -9.941 -10.016 1.00 0.00 C ATOM 1675 O ASP A 100 19.752 -10.163 -10.741 1.00 0.00 O ATOM 1676 CB ASP A 100 22.970 -10.939 -10.430 1.00 0.00 C ATOM 1677 CG ASP A 100 22.264 -12.188 -10.984 1.00 0.00 C ATOM 1678 OD1 ASP A 100 22.172 -12.335 -12.223 1.00 0.00 O ATOM 1679 OD2 ASP A 100 21.830 -13.047 -10.184 1.00 0.00 O ATOM 0 H ASP A 100 23.588 -8.720 -9.515 1.00 0.00 H new ATOM 0 HA ASP A 100 21.993 -9.499 -11.698 1.00 0.00 H new ATOM 0 HB2 ASP A 100 23.929 -10.805 -10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 100 23.181 -11.074 -9.369 1.00 0.00 H new ATOM 1684 N ASP A 101 20.609 -9.858 -8.686 1.00 0.00 N ATOM 1685 CA ASP A 101 19.340 -10.052 -7.985 1.00 0.00 C ATOM 1686 C ASP A 101 18.349 -8.941 -8.330 1.00 0.00 C ATOM 1687 O ASP A 101 17.184 -9.215 -8.619 1.00 0.00 O ATOM 1688 CB ASP A 101 19.562 -10.098 -6.471 1.00 0.00 C ATOM 1689 CG ASP A 101 18.222 -10.239 -5.730 1.00 0.00 C ATOM 1690 OD1 ASP A 101 17.656 -11.355 -5.708 1.00 0.00 O ATOM 1691 OD2 ASP A 101 17.748 -9.247 -5.133 1.00 0.00 O ATOM 0 H ASP A 101 21.395 -9.655 -8.068 1.00 0.00 H new ATOM 0 HA ASP A 101 18.922 -11.004 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 101 20.213 -10.935 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 101 20.070 -9.190 -6.145 1.00 0.00 H new ATOM 1696 N LEU A 102 18.811 -7.688 -8.363 1.00 0.00 N ATOM 1697 CA LEU A 102 17.985 -6.550 -8.744 1.00 0.00 C ATOM 1698 C LEU A 102 17.521 -6.707 -10.197 1.00 0.00 C ATOM 1699 O LEU A 102 16.328 -6.562 -10.476 1.00 0.00 O ATOM 1700 CB LEU A 102 18.763 -5.244 -8.475 1.00 0.00 C ATOM 1701 CG LEU A 102 17.994 -3.928 -8.713 1.00 0.00 C ATOM 1702 CD1 LEU A 102 17.861 -3.581 -10.197 1.00 0.00 C ATOM 1703 CD2 LEU A 102 16.603 -3.897 -8.068 1.00 0.00 C ATOM 0 H LEU A 102 19.771 -7.439 -8.125 1.00 0.00 H new ATOM 0 HA LEU A 102 17.079 -6.506 -8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 102 19.106 -5.257 -7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.652 -5.239 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 102 18.610 -3.175 -8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 102 17.311 -2.646 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 102 18.853 -3.471 -10.635 1.00 0.00 H new ATOM 0 HD13 LEU A 102 17.324 -4.378 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.125 -2.940 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.995 -4.704 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.699 -4.024 -6.990 1.00 0.00 H new ATOM 1715 N LYS A 103 18.421 -7.077 -11.120 1.00 0.00 N ATOM 1716 CA LYS A 103 18.052 -7.380 -12.500 1.00 0.00 C ATOM 1717 C LYS A 103 16.985 -8.464 -12.522 1.00 0.00 C ATOM 1718 O LYS A 103 16.032 -8.318 -13.278 1.00 0.00 O ATOM 1719 CB LYS A 103 19.289 -7.786 -13.329 1.00 0.00 C ATOM 1720 CG LYS A 103 18.933 -8.448 -14.674 1.00 0.00 C ATOM 1721 CD LYS A 103 20.119 -8.452 -15.650 1.00 0.00 C ATOM 1722 CE LYS A 103 19.749 -9.208 -16.939 1.00 0.00 C ATOM 1723 NZ LYS A 103 20.349 -10.566 -17.011 1.00 0.00 N ATOM 0 H LYS A 103 19.418 -7.173 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 103 17.640 -6.482 -12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 103 19.897 -6.901 -13.518 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.900 -8.474 -12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.606 -9.473 -14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.094 -7.919 -15.126 1.00 0.00 H new ATOM 0 HD2 LYS A 103 20.404 -7.428 -15.890 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.983 -8.922 -15.180 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.664 -9.293 -17.005 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.076 -8.626 -17.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 19.830 -11.138 -17.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.346 -10.490 -17.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.292 -11.021 -16.078 1.00 0.00 H new ATOM 1737 N ALA A 104 17.098 -9.521 -11.713 1.00 0.00 N ATOM 1738 CA ALA A 104 16.117 -10.599 -11.714 1.00 0.00 C ATOM 1739 C ALA A 104 14.716 -10.083 -11.364 1.00 0.00 C ATOM 1740 O ALA A 104 13.750 -10.512 -11.990 1.00 0.00 O ATOM 1741 CB ALA A 104 16.543 -11.734 -10.779 1.00 0.00 C ATOM 0 H ALA A 104 17.862 -9.649 -11.049 1.00 0.00 H new ATOM 0 HA ALA A 104 16.072 -11.002 -12.726 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.792 -12.524 -10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 104 17.502 -12.136 -11.107 1.00 0.00 H new ATOM 0 HB3 ALA A 104 16.639 -11.352 -9.763 1.00 0.00 H new ATOM 1747 N GLN A 105 14.586 -9.128 -10.435 1.00 0.00 N ATOM 1748 CA GLN A 105 13.284 -8.540 -10.118 1.00 0.00 C ATOM 1749 C GLN A 105 12.699 -7.841 -11.352 1.00 0.00 C ATOM 1750 O GLN A 105 11.533 -8.049 -11.689 1.00 0.00 O ATOM 1751 CB GLN A 105 13.382 -7.564 -8.930 1.00 0.00 C ATOM 1752 CG GLN A 105 13.810 -8.225 -7.610 1.00 0.00 C ATOM 1753 CD GLN A 105 12.805 -9.271 -7.122 1.00 0.00 C ATOM 1754 OE1 GLN A 105 12.980 -10.471 -7.317 1.00 0.00 O ATOM 1755 NE2 GLN A 105 11.720 -8.847 -6.490 1.00 0.00 N ATOM 0 H GLN A 105 15.363 -8.749 -9.894 1.00 0.00 H new ATOM 0 HA GLN A 105 12.612 -9.347 -9.825 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.094 -6.777 -9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.414 -7.084 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.784 -8.697 -7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.930 -7.457 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 105 11.580 -7.849 -6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.025 -9.518 -6.163 1.00 0.00 H new ATOM 1764 N PHE A 106 13.507 -7.060 -12.072 1.00 0.00 N ATOM 1765 CA PHE A 106 13.053 -6.411 -13.299 1.00 0.00 C ATOM 1766 C PHE A 106 12.897 -7.397 -14.461 1.00 0.00 C ATOM 1767 O PHE A 106 12.120 -7.125 -15.372 1.00 0.00 O ATOM 1768 CB PHE A 106 13.957 -5.224 -13.665 1.00 0.00 C ATOM 1769 CG PHE A 106 13.790 -3.986 -12.792 1.00 0.00 C ATOM 1770 CD1 PHE A 106 12.509 -3.473 -12.500 1.00 0.00 C ATOM 1771 CD2 PHE A 106 14.927 -3.308 -12.312 1.00 0.00 C ATOM 1772 CE1 PHE A 106 12.367 -2.322 -11.704 1.00 0.00 C ATOM 1773 CE2 PHE A 106 14.785 -2.152 -11.522 1.00 0.00 C ATOM 1774 CZ PHE A 106 13.506 -1.664 -11.211 1.00 0.00 C ATOM 0 H PHE A 106 14.477 -6.863 -11.825 1.00 0.00 H new ATOM 0 HA PHE A 106 12.056 -6.017 -13.103 1.00 0.00 H new ATOM 0 HB2 PHE A 106 14.996 -5.549 -13.611 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.763 -4.947 -14.701 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.631 -3.967 -12.890 1.00 0.00 H new ATOM 0 HD2 PHE A 106 15.913 -3.677 -12.551 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.382 -1.944 -11.472 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.662 -1.639 -11.154 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.398 -0.784 -10.594 1.00 0.00 H new ATOM 1784 N GLN A 107 13.569 -8.550 -14.432 1.00 0.00 N ATOM 1785 CA GLN A 107 13.399 -9.598 -15.426 1.00 0.00 C ATOM 1786 C GLN A 107 12.054 -10.301 -15.224 1.00 0.00 C ATOM 1787 O GLN A 107 11.429 -10.683 -16.210 1.00 0.00 O ATOM 1788 CB GLN A 107 14.585 -10.581 -15.364 1.00 0.00 C ATOM 1789 CG GLN A 107 14.551 -11.698 -16.420 1.00 0.00 C ATOM 1790 CD GLN A 107 14.545 -11.173 -17.857 1.00 0.00 C ATOM 1791 OE1 GLN A 107 15.583 -11.061 -18.503 1.00 0.00 O ATOM 1792 NE2 GLN A 107 13.379 -10.836 -18.384 1.00 0.00 N ATOM 0 H GLN A 107 14.251 -8.779 -13.709 1.00 0.00 H new ATOM 0 HA GLN A 107 13.390 -9.159 -16.424 1.00 0.00 H new ATOM 0 HB2 GLN A 107 15.512 -10.019 -15.480 1.00 0.00 H new ATOM 0 HB3 GLN A 107 14.610 -11.036 -14.374 1.00 0.00 H new ATOM 0 HG2 GLN A 107 15.416 -12.346 -16.281 1.00 0.00 H new ATOM 0 HG3 GLN A 107 13.664 -12.312 -16.261 1.00 0.00 H new ATOM 0 HE21 GLN A 107 12.524 -10.934 -17.836 1.00 0.00 H new ATOM 0 HE22 GLN A 107 13.335 -10.478 -19.338 1.00 0.00 H new ATOM 1801 N GLU A 108 11.582 -10.444 -13.984 1.00 0.00 N ATOM 1802 CA GLU A 108 10.241 -10.954 -13.710 1.00 0.00 C ATOM 1803 C GLU A 108 9.211 -9.916 -14.162 1.00 0.00 C ATOM 1804 O GLU A 108 8.268 -10.250 -14.882 1.00 0.00 O ATOM 1805 CB GLU A 108 10.075 -11.268 -12.214 1.00 0.00 C ATOM 1806 CG GLU A 108 10.915 -12.463 -11.738 1.00 0.00 C ATOM 1807 CD GLU A 108 10.427 -13.799 -12.327 1.00 0.00 C ATOM 1808 OE1 GLU A 108 9.446 -14.376 -11.806 1.00 0.00 O ATOM 1809 OE2 GLU A 108 11.028 -14.300 -13.305 1.00 0.00 O ATOM 0 H GLU A 108 12.117 -10.211 -13.147 1.00 0.00 H new ATOM 0 HA GLU A 108 10.086 -11.881 -14.262 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.351 -10.387 -11.634 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.024 -11.469 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.957 -12.305 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.882 -12.516 -10.650 1.00 0.00 H new ATOM 1816 N LEU A 109 9.422 -8.642 -13.807 1.00 0.00 N ATOM 1817 CA LEU A 109 8.546 -7.536 -14.203 1.00 0.00 C ATOM 1818 C LEU A 109 8.596 -7.260 -15.709 1.00 0.00 C ATOM 1819 O LEU A 109 7.756 -6.515 -16.213 1.00 0.00 O ATOM 1820 CB LEU A 109 8.892 -6.261 -13.413 1.00 0.00 C ATOM 1821 CG LEU A 109 8.545 -6.332 -11.912 1.00 0.00 C ATOM 1822 CD1 LEU A 109 9.170 -5.142 -11.173 1.00 0.00 C ATOM 1823 CD2 LEU A 109 7.029 -6.335 -11.673 1.00 0.00 C ATOM 0 H LEU A 109 10.212 -8.349 -13.232 1.00 0.00 H new ATOM 0 HA LEU A 109 7.526 -7.839 -13.965 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.958 -6.060 -13.519 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.363 -5.418 -13.857 1.00 0.00 H new ATOM 0 HG LEU A 109 8.951 -7.268 -11.529 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.920 -5.200 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.253 -5.168 -11.292 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.781 -4.212 -11.587 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.830 -6.386 -10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.595 -5.422 -12.080 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.585 -7.199 -12.166 1.00 0.00 H new ATOM 1835 N ASP A 110 9.520 -7.875 -16.453 1.00 0.00 N ATOM 1836 CA ASP A 110 9.580 -7.791 -17.912 1.00 0.00 C ATOM 1837 C ASP A 110 8.283 -8.291 -18.557 1.00 0.00 C ATOM 1838 O ASP A 110 7.920 -7.876 -19.660 1.00 0.00 O ATOM 1839 CB ASP A 110 10.787 -8.564 -18.442 1.00 0.00 C ATOM 1840 CG ASP A 110 11.054 -8.273 -19.920 1.00 0.00 C ATOM 1841 OD1 ASP A 110 11.244 -7.092 -20.288 1.00 0.00 O ATOM 1842 OD2 ASP A 110 11.139 -9.244 -20.704 1.00 0.00 O ATOM 0 H ASP A 110 10.258 -8.453 -16.051 1.00 0.00 H new ATOM 0 HA ASP A 110 9.695 -6.742 -18.183 1.00 0.00 H new ATOM 0 HB2 ASP A 110 11.669 -8.304 -17.857 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.620 -9.633 -18.308 1.00 0.00 H new ATOM 2059 N GLY A 125 17.806 -1.336 -20.566 1.00 0.00 N ATOM 2060 CA GLY A 125 17.403 -1.407 -19.171 1.00 0.00 C ATOM 2061 C GLY A 125 18.195 -2.523 -18.507 1.00 0.00 C ATOM 2062 O GLY A 125 19.397 -2.384 -18.289 1.00 0.00 O ATOM 0 HA2 GLY A 125 17.592 -0.457 -18.671 1.00 0.00 H new ATOM 0 HA3 GLY A 125 16.333 -1.601 -19.093 1.00 0.00 H new ATOM 2066 N ILE A 126 17.551 -3.668 -18.255 1.00 0.00 N ATOM 2067 CA ILE A 126 18.241 -4.857 -17.751 1.00 0.00 C ATOM 2068 C ILE A 126 19.341 -5.352 -18.699 1.00 0.00 C ATOM 2069 O ILE A 126 20.285 -5.983 -18.227 1.00 0.00 O ATOM 2070 CB ILE A 126 17.257 -5.957 -17.296 1.00 0.00 C ATOM 2071 CG1 ILE A 126 16.200 -6.345 -18.355 1.00 0.00 C ATOM 2072 CG2 ILE A 126 16.605 -5.523 -15.969 1.00 0.00 C ATOM 2073 CD1 ILE A 126 15.226 -7.425 -17.861 1.00 0.00 C ATOM 0 H ILE A 126 16.548 -3.795 -18.393 1.00 0.00 H new ATOM 0 HA ILE A 126 18.771 -4.555 -16.847 1.00 0.00 H new ATOM 0 HB ILE A 126 17.834 -6.870 -17.150 1.00 0.00 H new ATOM 0 HG12 ILE A 126 15.636 -5.457 -18.640 1.00 0.00 H new ATOM 0 HG13 ILE A 126 16.706 -6.702 -19.252 1.00 0.00 H new ATOM 0 HG21 ILE A 126 15.908 -6.292 -15.638 1.00 0.00 H new ATOM 0 HG22 ILE A 126 17.377 -5.383 -15.213 1.00 0.00 H new ATOM 0 HG23 ILE A 126 16.068 -4.586 -16.117 1.00 0.00 H new ATOM 0 HD11 ILE A 126 14.508 -7.655 -18.648 1.00 0.00 H new ATOM 0 HD12 ILE A 126 15.782 -8.326 -17.603 1.00 0.00 H new ATOM 0 HD13 ILE A 126 14.695 -7.061 -16.981 1.00 0.00 H new ATOM 2085 N LEU A 127 19.279 -5.024 -19.994 1.00 0.00 N ATOM 2086 CA LEU A 127 20.378 -5.253 -20.930 1.00 0.00 C ATOM 2087 C LEU A 127 21.655 -4.549 -20.435 1.00 0.00 C ATOM 2088 O LEU A 127 22.679 -5.211 -20.270 1.00 0.00 O ATOM 2089 CB LEU A 127 19.923 -4.788 -22.327 1.00 0.00 C ATOM 2090 CG LEU A 127 21.035 -4.655 -23.386 1.00 0.00 C ATOM 2091 CD1 LEU A 127 21.709 -6.001 -23.678 1.00 0.00 C ATOM 2092 CD2 LEU A 127 20.430 -4.091 -24.679 1.00 0.00 C ATOM 0 H LEU A 127 18.460 -4.591 -20.421 1.00 0.00 H new ATOM 0 HA LEU A 127 20.630 -6.312 -20.994 1.00 0.00 H new ATOM 0 HB2 LEU A 127 19.177 -5.491 -22.698 1.00 0.00 H new ATOM 0 HB3 LEU A 127 19.428 -3.822 -22.224 1.00 0.00 H new ATOM 0 HG LEU A 127 21.798 -3.982 -22.996 1.00 0.00 H new ATOM 0 HD11 LEU A 127 22.486 -5.863 -24.429 1.00 0.00 H new ATOM 0 HD12 LEU A 127 22.154 -6.391 -22.763 1.00 0.00 H new ATOM 0 HD13 LEU A 127 20.966 -6.707 -24.050 1.00 0.00 H new ATOM 0 HD21 LEU A 127 21.210 -3.994 -25.434 1.00 0.00 H new ATOM 0 HD22 LEU A 127 19.655 -4.766 -25.043 1.00 0.00 H new ATOM 0 HD23 LEU A 127 19.994 -3.112 -24.480 1.00 0.00 H new ATOM 2104 N LEU A 128 21.599 -3.245 -20.134 1.00 0.00 N ATOM 2105 CA LEU A 128 22.728 -2.505 -19.562 1.00 0.00 C ATOM 2106 C LEU A 128 23.177 -3.142 -18.248 1.00 0.00 C ATOM 2107 O LEU A 128 24.371 -3.332 -18.036 1.00 0.00 O ATOM 2108 CB LEU A 128 22.355 -1.027 -19.319 1.00 0.00 C ATOM 2109 CG LEU A 128 23.505 -0.031 -19.565 1.00 0.00 C ATOM 2110 CD1 LEU A 128 22.992 1.401 -19.364 1.00 0.00 C ATOM 2111 CD2 LEU A 128 24.722 -0.231 -18.653 1.00 0.00 C ATOM 0 H LEU A 128 20.767 -2.674 -20.281 1.00 0.00 H new ATOM 0 HA LEU A 128 23.548 -2.546 -20.279 1.00 0.00 H new ATOM 0 HB2 LEU A 128 21.519 -0.765 -19.967 1.00 0.00 H new ATOM 0 HB3 LEU A 128 22.009 -0.917 -18.291 1.00 0.00 H new ATOM 0 HG LEU A 128 23.837 -0.212 -20.587 1.00 0.00 H new ATOM 0 HD11 LEU A 128 23.805 2.106 -19.538 1.00 0.00 H new ATOM 0 HD12 LEU A 128 22.183 1.600 -20.067 1.00 0.00 H new ATOM 0 HD13 LEU A 128 22.624 1.516 -18.345 1.00 0.00 H new ATOM 0 HD21 LEU A 128 25.483 0.511 -18.894 1.00 0.00 H new ATOM 0 HD22 LEU A 128 24.419 -0.116 -17.612 1.00 0.00 H new ATOM 0 HD23 LEU A 128 25.130 -1.231 -18.804 1.00 0.00 H new ATOM 2123 N ILE A 129 22.236 -3.490 -17.366 1.00 0.00 N ATOM 2124 CA ILE A 129 22.567 -4.033 -16.048 1.00 0.00 C ATOM 2125 C ILE A 129 23.341 -5.352 -16.218 1.00 0.00 C ATOM 2126 O ILE A 129 24.294 -5.604 -15.479 1.00 0.00 O ATOM 2127 CB ILE A 129 21.296 -4.167 -15.171 1.00 0.00 C ATOM 2128 CG1 ILE A 129 20.615 -2.789 -14.980 1.00 0.00 C ATOM 2129 CG2 ILE A 129 21.658 -4.733 -13.782 1.00 0.00 C ATOM 2130 CD1 ILE A 129 19.153 -2.838 -14.508 1.00 0.00 C ATOM 0 H ILE A 129 21.235 -3.404 -17.543 1.00 0.00 H new ATOM 0 HA ILE A 129 23.220 -3.344 -15.512 1.00 0.00 H new ATOM 0 HB ILE A 129 20.611 -4.845 -15.681 1.00 0.00 H new ATOM 0 HG12 ILE A 129 21.194 -2.213 -14.257 1.00 0.00 H new ATOM 0 HG13 ILE A 129 20.656 -2.248 -15.925 1.00 0.00 H new ATOM 0 HG21 ILE A 129 20.755 -4.821 -13.178 1.00 0.00 H new ATOM 0 HG22 ILE A 129 22.115 -5.716 -13.897 1.00 0.00 H new ATOM 0 HG23 ILE A 129 22.361 -4.062 -13.288 1.00 0.00 H new ATOM 0 HD11 ILE A 129 18.770 -1.823 -14.405 1.00 0.00 H new ATOM 0 HD12 ILE A 129 18.553 -3.380 -15.238 1.00 0.00 H new ATOM 0 HD13 ILE A 129 19.098 -3.346 -13.545 1.00 0.00 H new ATOM 2142 N ASP A 130 22.993 -6.166 -17.221 1.00 0.00 N ATOM 2143 CA ASP A 130 23.724 -7.389 -17.531 1.00 0.00 C ATOM 2144 C ASP A 130 25.160 -7.085 -17.963 1.00 0.00 C ATOM 2145 O ASP A 130 26.080 -7.790 -17.555 1.00 0.00 O ATOM 2146 CB ASP A 130 23.012 -8.182 -18.629 1.00 0.00 C ATOM 2147 CG ASP A 130 23.512 -9.631 -18.651 1.00 0.00 C ATOM 2148 OD1 ASP A 130 23.024 -10.423 -17.813 1.00 0.00 O ATOM 2149 OD2 ASP A 130 24.335 -9.991 -19.523 1.00 0.00 O ATOM 0 H ASP A 130 22.198 -5.992 -17.836 1.00 0.00 H new ATOM 0 HA ASP A 130 23.756 -7.989 -16.621 1.00 0.00 H new ATOM 0 HB2 ASP A 130 21.935 -8.165 -18.459 1.00 0.00 H new ATOM 0 HB3 ASP A 130 23.190 -7.714 -19.598 1.00 0.00 H new ATOM 2154 N SER A 131 25.376 -6.015 -18.734 1.00 0.00 N ATOM 2155 CA SER A 131 26.713 -5.578 -19.120 1.00 0.00 C ATOM 2156 C SER A 131 27.501 -5.054 -17.912 1.00 0.00 C ATOM 2157 O SER A 131 28.698 -5.329 -17.811 1.00 0.00 O ATOM 2158 CB SER A 131 26.625 -4.502 -20.211 1.00 0.00 C ATOM 2159 OG SER A 131 25.881 -4.968 -21.326 1.00 0.00 O ATOM 0 H SER A 131 24.627 -5.431 -19.106 1.00 0.00 H new ATOM 0 HA SER A 131 27.248 -6.441 -19.516 1.00 0.00 H new ATOM 0 HB2 SER A 131 26.156 -3.605 -19.806 1.00 0.00 H new ATOM 0 HB3 SER A 131 27.628 -4.220 -20.531 1.00 0.00 H new ATOM 0 HG SER A 131 25.837 -4.265 -22.007 1.00 0.00 H new ATOM 2165 N GLU A 132 26.856 -4.339 -16.981 1.00 0.00 N ATOM 2166 CA GLU A 132 27.522 -3.823 -15.788 1.00 0.00 C ATOM 2167 C GLU A 132 28.044 -4.992 -14.947 1.00 0.00 C ATOM 2168 O GLU A 132 29.221 -5.022 -14.572 1.00 0.00 O ATOM 2169 CB GLU A 132 26.585 -2.946 -14.935 1.00 0.00 C ATOM 2170 CG GLU A 132 26.261 -1.582 -15.558 1.00 0.00 C ATOM 2171 CD GLU A 132 27.519 -0.757 -15.872 1.00 0.00 C ATOM 2172 OE1 GLU A 132 28.373 -0.566 -14.978 1.00 0.00 O ATOM 2173 OE2 GLU A 132 27.711 -0.336 -17.033 1.00 0.00 O ATOM 0 H GLU A 132 25.865 -4.106 -17.037 1.00 0.00 H new ATOM 0 HA GLU A 132 28.351 -3.196 -16.115 1.00 0.00 H new ATOM 0 HB2 GLU A 132 25.654 -3.486 -14.766 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.043 -2.787 -13.959 1.00 0.00 H new ATOM 0 HG2 GLU A 132 25.692 -1.733 -16.476 1.00 0.00 H new ATOM 0 HG3 GLU A 132 25.623 -1.019 -14.877 1.00 0.00 H new ATOM 2180 N ILE A 133 27.181 -5.974 -14.666 1.00 0.00 N ATOM 2181 CA ILE A 133 27.581 -7.102 -13.835 1.00 0.00 C ATOM 2182 C ILE A 133 28.522 -8.048 -14.583 1.00 0.00 C ATOM 2183 O ILE A 133 29.400 -8.623 -13.946 1.00 0.00 O ATOM 2184 CB ILE A 133 26.385 -7.812 -13.173 1.00 0.00 C ATOM 2185 CG1 ILE A 133 25.459 -8.610 -14.116 1.00 0.00 C ATOM 2186 CG2 ILE A 133 25.570 -6.816 -12.344 1.00 0.00 C ATOM 2187 CD1 ILE A 133 25.499 -10.107 -13.807 1.00 0.00 C ATOM 0 H ILE A 133 26.217 -6.007 -14.998 1.00 0.00 H new ATOM 0 HA ILE A 133 28.157 -6.698 -13.002 1.00 0.00 H new ATOM 0 HB ILE A 133 26.839 -8.571 -12.536 1.00 0.00 H new ATOM 0 HG12 ILE A 133 24.437 -8.245 -14.018 1.00 0.00 H new ATOM 0 HG13 ILE A 133 25.760 -8.443 -15.150 1.00 0.00 H new ATOM 0 HG21 ILE A 133 24.728 -7.331 -11.882 1.00 0.00 H new ATOM 0 HG22 ILE A 133 26.203 -6.385 -11.568 1.00 0.00 H new ATOM 0 HG23 ILE A 133 25.199 -6.022 -12.992 1.00 0.00 H new ATOM 0 HD11 ILE A 133 24.835 -10.637 -14.490 1.00 0.00 H new ATOM 0 HD12 ILE A 133 26.517 -10.477 -13.930 1.00 0.00 H new ATOM 0 HD13 ILE A 133 25.173 -10.275 -12.781 1.00 0.00 H new ATOM 2199 N ALA A 134 28.427 -8.157 -15.915 1.00 0.00 N ATOM 2200 CA ALA A 134 29.405 -8.896 -16.705 1.00 0.00 C ATOM 2201 C ALA A 134 30.787 -8.255 -16.564 1.00 0.00 C ATOM 2202 O ALA A 134 31.754 -8.958 -16.275 1.00 0.00 O ATOM 2203 CB ALA A 134 28.985 -8.967 -18.178 1.00 0.00 C ATOM 0 H ALA A 134 27.677 -7.738 -16.465 1.00 0.00 H new ATOM 0 HA ALA A 134 29.453 -9.917 -16.326 1.00 0.00 H new ATOM 0 HB1 ALA A 134 29.733 -9.524 -18.743 1.00 0.00 H new ATOM 0 HB2 ALA A 134 28.021 -9.470 -18.258 1.00 0.00 H new ATOM 0 HB3 ALA A 134 28.902 -7.958 -18.582 1.00 0.00 H new ATOM 2209 N ARG A 135 30.897 -6.928 -16.703 1.00 0.00 N ATOM 2210 CA ARG A 135 32.172 -6.232 -16.517 1.00 0.00 C ATOM 2211 C ARG A 135 32.702 -6.474 -15.105 1.00 0.00 C ATOM 2212 O ARG A 135 33.881 -6.774 -14.936 1.00 0.00 O ATOM 2213 CB ARG A 135 32.003 -4.729 -16.797 1.00 0.00 C ATOM 2214 CG ARG A 135 33.355 -4.045 -17.076 1.00 0.00 C ATOM 2215 CD ARG A 135 33.286 -2.511 -17.024 1.00 0.00 C ATOM 2216 NE ARG A 135 32.177 -1.961 -17.830 1.00 0.00 N ATOM 2217 CZ ARG A 135 31.025 -1.460 -17.362 1.00 0.00 C ATOM 2218 NH1 ARG A 135 30.792 -1.376 -16.055 1.00 0.00 N ATOM 2219 NH2 ARG A 135 30.091 -1.047 -18.208 1.00 0.00 N ATOM 0 H ARG A 135 30.117 -6.316 -16.944 1.00 0.00 H new ATOM 0 HA ARG A 135 32.901 -6.627 -17.225 1.00 0.00 H new ATOM 0 HB2 ARG A 135 31.342 -4.590 -17.652 1.00 0.00 H new ATOM 0 HB3 ARG A 135 31.523 -4.252 -15.943 1.00 0.00 H new ATOM 0 HG2 ARG A 135 34.087 -4.393 -16.347 1.00 0.00 H new ATOM 0 HG3 ARG A 135 33.713 -4.352 -18.059 1.00 0.00 H new ATOM 0 HD2 ARG A 135 33.170 -2.192 -15.988 1.00 0.00 H new ATOM 0 HD3 ARG A 135 34.229 -2.097 -17.381 1.00 0.00 H new ATOM 0 HE ARG A 135 32.300 -1.963 -18.843 1.00 0.00 H new ATOM 0 HH11 ARG A 135 31.496 -1.696 -15.390 1.00 0.00 H new ATOM 0 HH12 ARG A 135 29.909 -0.992 -15.718 1.00 0.00 H new ATOM 0 HH21 ARG A 135 30.250 -1.111 -19.214 1.00 0.00 H new ATOM 0 HH22 ARG A 135 29.214 -0.666 -17.853 1.00 0.00 H new ATOM 2233 N THR A 136 31.832 -6.394 -14.099 1.00 0.00 N ATOM 2234 CA THR A 136 32.198 -6.633 -12.708 1.00 0.00 C ATOM 2235 C THR A 136 32.707 -8.073 -12.515 1.00 0.00 C ATOM 2236 O THR A 136 33.716 -8.277 -11.843 1.00 0.00 O ATOM 2237 CB THR A 136 30.988 -6.276 -11.828 1.00 0.00 C ATOM 2238 OG1 THR A 136 30.625 -4.924 -12.073 1.00 0.00 O ATOM 2239 CG2 THR A 136 31.261 -6.414 -10.332 1.00 0.00 C ATOM 0 H THR A 136 30.848 -6.160 -14.230 1.00 0.00 H new ATOM 0 HA THR A 136 33.031 -5.998 -12.406 1.00 0.00 H new ATOM 0 HB THR A 136 30.196 -6.977 -12.090 1.00 0.00 H new ATOM 0 HG1 THR A 136 30.108 -4.869 -12.904 1.00 0.00 H new ATOM 0 HG21 THR A 136 30.365 -6.146 -9.772 1.00 0.00 H new ATOM 0 HG22 THR A 136 31.536 -7.444 -10.106 1.00 0.00 H new ATOM 0 HG23 THR A 136 32.078 -5.750 -10.048 1.00 0.00 H new ATOM 2247 N TYR A 137 32.062 -9.064 -13.139 1.00 0.00 N ATOM 2248 CA TYR A 137 32.462 -10.467 -13.070 1.00 0.00 C ATOM 2249 C TYR A 137 33.809 -10.704 -13.771 1.00 0.00 C ATOM 2250 O TYR A 137 34.634 -11.476 -13.279 1.00 0.00 O ATOM 2251 CB TYR A 137 31.352 -11.323 -13.699 1.00 0.00 C ATOM 2252 CG TYR A 137 31.559 -12.820 -13.569 1.00 0.00 C ATOM 2253 CD1 TYR A 137 31.122 -13.488 -12.409 1.00 0.00 C ATOM 2254 CD2 TYR A 137 32.174 -13.547 -14.607 1.00 0.00 C ATOM 2255 CE1 TYR A 137 31.295 -14.876 -12.284 1.00 0.00 C ATOM 2256 CE2 TYR A 137 32.356 -14.937 -14.486 1.00 0.00 C ATOM 2257 CZ TYR A 137 31.916 -15.610 -13.321 1.00 0.00 C ATOM 2258 OH TYR A 137 32.079 -16.956 -13.187 1.00 0.00 O ATOM 0 H TYR A 137 31.235 -8.908 -13.715 1.00 0.00 H new ATOM 0 HA TYR A 137 32.599 -10.752 -12.027 1.00 0.00 H new ATOM 0 HB2 TYR A 137 30.401 -11.059 -13.236 1.00 0.00 H new ATOM 0 HB3 TYR A 137 31.272 -11.071 -14.756 1.00 0.00 H new ATOM 0 HD1 TYR A 137 30.652 -12.931 -11.612 1.00 0.00 H new ATOM 0 HD2 TYR A 137 32.507 -13.036 -15.498 1.00 0.00 H new ATOM 0 HE1 TYR A 137 30.953 -15.384 -11.394 1.00 0.00 H new ATOM 0 HE2 TYR A 137 32.832 -15.491 -15.282 1.00 0.00 H new ATOM 0 HH TYR A 137 32.521 -17.313 -13.986 1.00 0.00 H new ATOM 2268 N LEU A 138 34.044 -10.026 -14.902 1.00 0.00 N ATOM 2269 CA LEU A 138 35.320 -10.074 -15.621 1.00 0.00 C ATOM 2270 C LEU A 138 36.430 -9.408 -14.802 1.00 0.00 C ATOM 2271 O LEU A 138 37.577 -9.849 -14.870 1.00 0.00 O ATOM 2272 CB LEU A 138 35.193 -9.389 -16.994 1.00 0.00 C ATOM 2273 CG LEU A 138 34.377 -10.182 -18.035 1.00 0.00 C ATOM 2274 CD1 LEU A 138 34.109 -9.298 -19.259 1.00 0.00 C ATOM 2275 CD2 LEU A 138 35.099 -11.458 -18.488 1.00 0.00 C ATOM 0 H LEU A 138 33.349 -9.426 -15.345 1.00 0.00 H new ATOM 0 HA LEU A 138 35.582 -11.121 -15.774 1.00 0.00 H new ATOM 0 HB2 LEU A 138 34.730 -8.412 -16.856 1.00 0.00 H new ATOM 0 HB3 LEU A 138 36.193 -9.214 -17.392 1.00 0.00 H new ATOM 0 HG LEU A 138 33.441 -10.476 -17.560 1.00 0.00 H new ATOM 0 HD11 LEU A 138 33.532 -9.859 -19.994 1.00 0.00 H new ATOM 0 HD12 LEU A 138 33.547 -8.415 -18.954 1.00 0.00 H new ATOM 0 HD13 LEU A 138 35.057 -8.990 -19.700 1.00 0.00 H new ATOM 0 HD21 LEU A 138 34.486 -11.982 -19.221 1.00 0.00 H new ATOM 0 HD22 LEU A 138 36.056 -11.194 -18.938 1.00 0.00 H new ATOM 0 HD23 LEU A 138 35.269 -12.105 -17.627 1.00 0.00 H new