USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 765 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 80 HIS : no HE2:sc= -3.25! C(o=-3!,f=-14!) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.207 K(o=-3,f=-7.1!) USER MOD Single : A 6 SER OG : rot 27:sc= 0.255 USER MOD Single : A 9 THR OG1 : rot 22:sc= 0.0895 USER MOD Single : A 11 ASN : amide:sc= -0.0726 K(o=-0.073,f=-4.5!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3.1!) USER MOD Single : A 24 LYS NZ :NH3+ -135:sc= -0.0433 (180deg=-0.64) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.507 F(o=-1.1,f=-0.51) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc=-0.00941 (180deg=-0.833) USER MOD Single : A 43 THR OG1 : rot -35:sc= 1.02 USER MOD Single : A 50 GLN : amide:sc= -3.83! C(o=-3.8!,f=-6!) USER MOD Single : A 52 ASN : amide:sc= -2 K(o=-2,f=-3.5!) USER MOD Single : A 53 SER OG : rot 95:sc= 1.34 USER MOD Single : A 54 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.26) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -125:sc= -0.183 (180deg=-0.843) USER MOD Single : A 62 GLN : amide:sc= -0.16 K(o=-0.16,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 10:sc= 0.0285! USER MOD Single : A 69 GLN : amide:sc= -1.49 K(o=-1.5,f=-3.8) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0899) USER MOD Single : A 81 LYS NZ :NH3+ -105:sc= -8.58! (180deg=-11.2!) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -2.82! (180deg=-3.46!) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 89 GLN : amide:sc= -0.0922 X(o=-0.092,f=-0.091) USER MOD Single : A 90 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.54) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 6 12.563 0.636 6.968 1.00 0.00 N ATOM 70 CA SER A 6 11.891 1.239 5.852 1.00 0.00 C ATOM 71 C SER A 6 10.427 0.828 5.840 1.00 0.00 C ATOM 72 O SER A 6 9.918 0.262 6.806 1.00 0.00 O ATOM 73 CB SER A 6 12.568 0.815 4.545 1.00 0.00 C ATOM 74 OG SER A 6 13.967 1.055 4.644 1.00 0.00 O ATOM 0 HA SER A 6 11.950 2.323 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.381 -0.241 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.150 1.373 3.707 1.00 0.00 H new ATOM 0 HG SER A 6 14.239 1.019 5.585 1.00 0.00 H new ATOM 80 N ALA A 7 9.776 1.129 4.736 1.00 0.00 N ATOM 81 CA ALA A 7 8.361 0.821 4.536 1.00 0.00 C ATOM 82 C ALA A 7 7.776 1.805 3.536 1.00 0.00 C ATOM 83 O ALA A 7 6.731 1.555 2.934 1.00 0.00 O ATOM 84 CB ALA A 7 7.581 0.915 5.851 1.00 0.00 C ATOM 0 H ALA A 7 10.210 1.598 3.941 1.00 0.00 H new ATOM 0 HA ALA A 7 8.279 -0.199 4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.532 0.681 5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.992 0.206 6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.663 1.926 6.251 1.00 0.00 H new ATOM 90 N VAL A 8 8.470 2.928 3.371 1.00 0.00 N ATOM 91 CA VAL A 8 8.036 3.959 2.444 1.00 0.00 C ATOM 92 C VAL A 8 9.230 4.787 1.977 1.00 0.00 C ATOM 93 O VAL A 8 10.247 4.881 2.669 1.00 0.00 O ATOM 94 CB VAL A 8 6.985 4.860 3.116 1.00 0.00 C ATOM 95 CG1 VAL A 8 7.453 5.237 4.526 1.00 0.00 C ATOM 96 CG2 VAL A 8 6.777 6.138 2.291 1.00 0.00 C ATOM 0 H VAL A 8 9.334 3.143 3.869 1.00 0.00 H new ATOM 0 HA VAL A 8 7.585 3.485 1.572 1.00 0.00 H new ATOM 0 HB VAL A 8 6.043 4.315 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.706 5.875 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.585 4.332 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.401 5.772 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.031 6.767 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.719 6.682 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.433 5.874 1.291 1.00 0.00 H new ATOM 106 N THR A 9 9.096 5.372 0.791 1.00 0.00 N ATOM 107 CA THR A 9 10.162 6.180 0.216 1.00 0.00 C ATOM 108 C THR A 9 9.576 7.351 -0.571 1.00 0.00 C ATOM 109 O THR A 9 8.866 7.158 -1.558 1.00 0.00 O ATOM 110 CB THR A 9 11.022 5.297 -0.698 1.00 0.00 C ATOM 111 OG1 THR A 9 12.019 4.649 0.080 1.00 0.00 O ATOM 112 CG2 THR A 9 11.695 6.146 -1.783 1.00 0.00 C ATOM 0 H THR A 9 8.260 5.301 0.211 1.00 0.00 H new ATOM 0 HA THR A 9 10.782 6.586 1.015 1.00 0.00 H new ATOM 0 HB THR A 9 10.383 4.556 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.736 4.621 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.301 5.505 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.932 6.641 -2.384 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.331 6.897 -1.315 1.00 0.00 H new ATOM 120 N VAL A 10 9.887 8.564 -0.126 1.00 0.00 N ATOM 121 CA VAL A 10 9.401 9.768 -0.783 1.00 0.00 C ATOM 122 C VAL A 10 10.369 10.181 -1.885 1.00 0.00 C ATOM 123 O VAL A 10 11.390 10.823 -1.629 1.00 0.00 O ATOM 124 CB VAL A 10 9.247 10.905 0.235 1.00 0.00 C ATOM 125 CG1 VAL A 10 7.950 10.713 1.027 1.00 0.00 C ATOM 126 CG2 VAL A 10 10.437 10.902 1.204 1.00 0.00 C ATOM 0 H VAL A 10 10.475 8.738 0.689 1.00 0.00 H new ATOM 0 HA VAL A 10 8.426 9.560 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 10 9.215 11.856 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.842 11.522 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.101 10.722 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.982 9.759 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.322 11.712 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.474 9.949 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.362 11.043 0.645 1.00 0.00 H new ATOM 136 N ASN A 11 10.039 9.797 -3.109 1.00 0.00 N ATOM 137 CA ASN A 11 10.875 10.115 -4.261 1.00 0.00 C ATOM 138 C ASN A 11 10.687 11.571 -4.669 1.00 0.00 C ATOM 139 O ASN A 11 10.288 12.409 -3.859 1.00 0.00 O ATOM 140 CB ASN A 11 10.520 9.200 -5.442 1.00 0.00 C ATOM 141 CG ASN A 11 9.920 7.888 -4.942 1.00 0.00 C ATOM 142 OD1 ASN A 11 8.778 7.861 -4.483 1.00 0.00 O ATOM 143 ND2 ASN A 11 10.624 6.793 -5.009 1.00 0.00 N ATOM 0 H ASN A 11 9.198 9.264 -3.332 1.00 0.00 H new ATOM 0 HA ASN A 11 11.917 9.956 -3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.811 9.704 -6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.413 8.996 -6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.229 5.912 -4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 11 11.570 6.817 -5.390 1.00 0.00 H new ATOM 150 N ASP A 12 10.959 11.856 -5.937 1.00 0.00 N ATOM 151 CA ASP A 12 10.803 13.204 -6.469 1.00 0.00 C ATOM 152 C ASP A 12 9.588 13.236 -7.381 1.00 0.00 C ATOM 153 O ASP A 12 9.363 14.202 -8.113 1.00 0.00 O ATOM 154 CB ASP A 12 12.049 13.605 -7.262 1.00 0.00 C ATOM 155 CG ASP A 12 13.197 13.954 -6.314 1.00 0.00 C ATOM 156 OD1 ASP A 12 13.284 13.342 -5.261 1.00 0.00 O ATOM 157 OD2 ASP A 12 13.974 14.831 -6.658 1.00 0.00 O ATOM 0 H ASP A 12 11.289 11.171 -6.616 1.00 0.00 H new ATOM 0 HA ASP A 12 10.670 13.906 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.348 12.788 -7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.823 14.460 -7.899 1.00 0.00 H new ATOM 162 N ASP A 13 8.822 12.152 -7.335 1.00 0.00 N ATOM 163 CA ASP A 13 7.635 12.017 -8.162 1.00 0.00 C ATOM 164 C ASP A 13 6.409 11.762 -7.291 1.00 0.00 C ATOM 165 O ASP A 13 5.278 12.058 -7.685 1.00 0.00 O ATOM 166 CB ASP A 13 7.843 10.853 -9.133 1.00 0.00 C ATOM 167 CG ASP A 13 6.657 10.730 -10.089 1.00 0.00 C ATOM 168 OD1 ASP A 13 6.176 11.755 -10.547 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.251 9.611 -10.353 1.00 0.00 O ATOM 0 H ASP A 13 9.006 11.352 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 13 7.470 12.939 -8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.760 11.006 -9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.965 9.925 -8.575 1.00 0.00 H new ATOM 174 N GLY A 14 6.648 11.214 -6.105 1.00 0.00 N ATOM 175 CA GLY A 14 5.571 10.920 -5.170 1.00 0.00 C ATOM 176 C GLY A 14 6.095 10.122 -3.979 1.00 0.00 C ATOM 177 O GLY A 14 7.034 10.547 -3.303 1.00 0.00 O ATOM 0 H GLY A 14 7.578 10.965 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.121 11.850 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.787 10.356 -5.676 1.00 0.00 H new ATOM 181 N LEU A 15 5.480 8.967 -3.723 1.00 0.00 N ATOM 182 CA LEU A 15 5.891 8.123 -2.603 1.00 0.00 C ATOM 183 C LEU A 15 5.580 6.652 -2.872 1.00 0.00 C ATOM 184 O LEU A 15 4.599 6.326 -3.540 1.00 0.00 O ATOM 185 CB LEU A 15 5.160 8.563 -1.330 1.00 0.00 C ATOM 186 CG LEU A 15 3.661 8.717 -1.621 1.00 0.00 C ATOM 187 CD1 LEU A 15 2.891 7.572 -0.963 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.164 10.053 -1.064 1.00 0.00 C ATOM 0 H LEU A 15 4.703 8.598 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 15 6.968 8.233 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.313 7.829 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.570 9.507 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 15 3.499 8.691 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.827 7.683 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.242 6.621 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.055 7.595 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.099 10.160 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.328 10.082 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.710 10.870 -1.536 1.00 0.00 H new ATOM 200 N VAL A 16 6.417 5.770 -2.325 1.00 0.00 N ATOM 201 CA VAL A 16 6.224 4.330 -2.488 1.00 0.00 C ATOM 202 C VAL A 16 5.736 3.723 -1.175 1.00 0.00 C ATOM 203 O VAL A 16 6.167 4.134 -0.099 1.00 0.00 O ATOM 204 CB VAL A 16 7.539 3.655 -2.905 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.235 2.403 -3.735 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.381 4.628 -3.739 1.00 0.00 C ATOM 0 H VAL A 16 7.232 6.027 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 16 5.480 4.165 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 16 8.094 3.372 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.170 1.926 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.644 1.707 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.675 2.685 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.313 4.144 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.826 4.917 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.604 5.516 -3.147 1.00 0.00 H new ATOM 216 N LEU A 17 4.839 2.745 -1.269 1.00 0.00 N ATOM 217 CA LEU A 17 4.305 2.090 -0.079 1.00 0.00 C ATOM 218 C LEU A 17 4.717 0.626 -0.052 1.00 0.00 C ATOM 219 O LEU A 17 4.177 -0.199 -0.791 1.00 0.00 O ATOM 220 CB LEU A 17 2.774 2.197 -0.055 1.00 0.00 C ATOM 221 CG LEU A 17 2.275 2.339 1.390 1.00 0.00 C ATOM 222 CD1 LEU A 17 2.859 1.220 2.263 1.00 0.00 C ATOM 223 CD2 LEU A 17 2.703 3.701 1.949 1.00 0.00 C ATOM 0 H LEU A 17 4.469 2.391 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 17 4.711 2.589 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.453 3.056 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.333 1.312 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 17 1.188 2.265 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.498 1.331 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.547 0.252 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.947 1.281 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.348 3.801 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.790 3.776 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.275 4.496 1.338 1.00 0.00 H new ATOM 235 N ARG A 18 5.684 0.315 0.803 1.00 0.00 N ATOM 236 CA ARG A 18 6.178 -1.047 0.923 1.00 0.00 C ATOM 237 C ARG A 18 5.683 -1.702 2.209 1.00 0.00 C ATOM 238 O ARG A 18 5.976 -1.231 3.309 1.00 0.00 O ATOM 239 CB ARG A 18 7.710 -1.039 0.885 1.00 0.00 C ATOM 240 CG ARG A 18 8.191 -1.786 -0.359 1.00 0.00 C ATOM 241 CD ARG A 18 9.720 -1.887 -0.346 1.00 0.00 C ATOM 242 NE ARG A 18 10.309 -0.743 -1.038 1.00 0.00 N ATOM 243 CZ ARG A 18 11.625 -0.636 -1.194 1.00 0.00 C ATOM 244 NH1 ARG A 18 12.397 -0.451 -0.157 1.00 0.00 N ATOM 245 NH2 ARG A 18 12.148 -0.713 -2.386 1.00 0.00 N ATOM 0 H ARG A 18 6.139 0.987 1.421 1.00 0.00 H new ATOM 0 HA ARG A 18 5.796 -1.631 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.079 -0.013 0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.110 -1.510 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.752 -2.783 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.860 -1.266 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.080 -1.924 0.682 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.034 -2.813 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 18 9.700 -0.013 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.991 -0.388 0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.406 -0.369 -0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.548 -0.855 -3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.158 -0.631 -2.506 1.00 0.00 H new ATOM 259 N LEU A 19 4.934 -2.797 2.060 1.00 0.00 N ATOM 260 CA LEU A 19 4.410 -3.515 3.219 1.00 0.00 C ATOM 261 C LEU A 19 4.266 -5.007 2.928 1.00 0.00 C ATOM 262 O LEU A 19 4.569 -5.473 1.828 1.00 0.00 O ATOM 263 CB LEU A 19 3.057 -2.927 3.660 1.00 0.00 C ATOM 264 CG LEU A 19 1.953 -3.228 2.632 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.356 -4.619 2.881 1.00 0.00 C ATOM 266 CD2 LEU A 19 0.840 -2.185 2.770 1.00 0.00 C ATOM 0 H LEU A 19 4.680 -3.201 1.158 1.00 0.00 H new ATOM 0 HA LEU A 19 5.126 -3.394 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.777 -3.341 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.152 -1.849 3.789 1.00 0.00 H new ATOM 0 HG LEU A 19 2.385 -3.195 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.576 -4.817 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.139 -5.372 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.928 -4.657 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.054 -2.393 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.424 -2.228 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.248 -1.191 2.588 1.00 0.00 H new ATOM 278 N TYR A 20 3.801 -5.742 3.933 1.00 0.00 N ATOM 279 CA TYR A 20 3.606 -7.183 3.821 1.00 0.00 C ATOM 280 C TYR A 20 2.116 -7.488 3.704 1.00 0.00 C ATOM 281 O TYR A 20 1.395 -7.508 4.704 1.00 0.00 O ATOM 282 CB TYR A 20 4.184 -7.863 5.068 1.00 0.00 C ATOM 283 CG TYR A 20 4.210 -9.363 4.901 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.298 -9.983 4.276 1.00 0.00 C ATOM 285 CD2 TYR A 20 3.154 -10.137 5.397 1.00 0.00 C ATOM 286 CE1 TYR A 20 5.328 -11.377 4.148 1.00 0.00 C ATOM 287 CE2 TYR A 20 3.182 -11.528 5.266 1.00 0.00 C ATOM 288 CZ TYR A 20 4.271 -12.150 4.642 1.00 0.00 C ATOM 289 OH TYR A 20 4.302 -13.523 4.519 1.00 0.00 O ATOM 0 H TYR A 20 3.550 -5.358 4.844 1.00 0.00 H new ATOM 0 HA TYR A 20 4.115 -7.559 2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.194 -7.496 5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.586 -7.601 5.940 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.113 -9.387 3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.316 -9.658 5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.168 -11.856 3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.365 -12.123 5.646 1.00 0.00 H new ATOM 0 HH TYR A 20 3.491 -13.905 4.916 1.00 0.00 H new ATOM 299 N ILE A 21 1.658 -7.714 2.477 1.00 0.00 N ATOM 300 CA ILE A 21 0.251 -8.003 2.241 1.00 0.00 C ATOM 301 C ILE A 21 -0.091 -9.377 2.806 1.00 0.00 C ATOM 302 O ILE A 21 0.549 -10.377 2.474 1.00 0.00 O ATOM 303 CB ILE A 21 -0.052 -7.942 0.732 1.00 0.00 C ATOM 304 CG1 ILE A 21 -0.325 -6.485 0.318 1.00 0.00 C ATOM 305 CG2 ILE A 21 -1.274 -8.805 0.397 1.00 0.00 C ATOM 306 CD1 ILE A 21 -1.762 -6.092 0.679 1.00 0.00 C ATOM 0 H ILE A 21 2.237 -7.703 1.637 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.363 -7.256 2.744 1.00 0.00 H new ATOM 0 HB ILE A 21 0.811 -8.324 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.378 -5.819 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.167 -6.368 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.475 -8.751 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.077 -9.840 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.140 -8.439 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.943 -5.059 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.460 -6.747 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.907 -6.190 1.755 1.00 0.00 H new ATOM 318 N GLN A 22 -1.099 -9.408 3.674 1.00 0.00 N ATOM 319 CA GLN A 22 -1.532 -10.649 4.305 1.00 0.00 C ATOM 320 C GLN A 22 -3.003 -10.914 3.980 1.00 0.00 C ATOM 321 O GLN A 22 -3.896 -10.537 4.739 1.00 0.00 O ATOM 322 CB GLN A 22 -1.340 -10.545 5.825 1.00 0.00 C ATOM 323 CG GLN A 22 -1.134 -11.939 6.427 1.00 0.00 C ATOM 324 CD GLN A 22 -2.451 -12.709 6.437 1.00 0.00 C ATOM 325 OE1 GLN A 22 -3.200 -12.648 7.412 1.00 0.00 O ATOM 326 NE2 GLN A 22 -2.780 -13.433 5.403 1.00 0.00 N ATOM 0 H GLN A 22 -1.632 -8.585 3.956 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.933 -11.476 3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.480 -9.913 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.210 -10.070 6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.389 -12.486 5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.748 -11.851 7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.158 -13.482 4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.659 -13.950 5.401 1.00 0.00 H new ATOM 335 N PRO A 23 -3.269 -11.553 2.868 1.00 0.00 N ATOM 336 CA PRO A 23 -4.657 -11.868 2.434 1.00 0.00 C ATOM 337 C PRO A 23 -5.261 -13.000 3.254 1.00 0.00 C ATOM 338 O PRO A 23 -4.540 -13.764 3.886 1.00 0.00 O ATOM 339 CB PRO A 23 -4.519 -12.278 0.958 1.00 0.00 C ATOM 340 CG PRO A 23 -3.066 -12.172 0.605 1.00 0.00 C ATOM 341 CD PRO A 23 -2.280 -12.047 1.908 1.00 0.00 C ATOM 0 HA PRO A 23 -5.324 -11.017 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.879 -13.295 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.119 -11.629 0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.743 -13.050 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.889 -11.306 -0.033 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.866 -13.006 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.443 -11.356 1.805 1.00 0.00 H new ATOM 349 N LYS A 24 -6.590 -13.101 3.226 1.00 0.00 N ATOM 350 CA LYS A 24 -7.308 -14.148 3.959 1.00 0.00 C ATOM 351 C LYS A 24 -7.633 -13.703 5.387 1.00 0.00 C ATOM 352 O LYS A 24 -7.733 -14.538 6.288 1.00 0.00 O ATOM 353 CB LYS A 24 -6.500 -15.461 4.019 1.00 0.00 C ATOM 354 CG LYS A 24 -5.900 -15.799 2.643 1.00 0.00 C ATOM 355 CD LYS A 24 -6.837 -16.742 1.894 1.00 0.00 C ATOM 356 CE LYS A 24 -8.075 -15.965 1.445 1.00 0.00 C ATOM 357 NZ LYS A 24 -8.618 -16.570 0.195 1.00 0.00 N ATOM 0 H LYS A 24 -7.195 -12.468 2.702 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.235 -14.326 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.702 -15.368 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.145 -16.275 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.749 -14.886 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.922 -16.264 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.328 -17.170 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.127 -17.573 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.832 -15.983 2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.819 -14.920 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.849 -15.816 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.907 -17.204 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.478 -17.112 0.417 1.00 0.00 H new ATOM 371 N ALA A 25 -7.826 -12.397 5.594 1.00 0.00 N ATOM 372 CA ALA A 25 -8.162 -11.898 6.905 1.00 0.00 C ATOM 373 C ALA A 25 -9.658 -11.677 6.963 1.00 0.00 C ATOM 374 O ALA A 25 -10.348 -11.786 5.948 1.00 0.00 O ATOM 375 CB ALA A 25 -7.429 -10.583 7.166 1.00 0.00 C ATOM 0 H ALA A 25 -7.753 -11.682 4.870 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.862 -12.617 7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.688 -10.213 8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.353 -10.749 7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.722 -9.848 6.416 1.00 0.00 H new ATOM 381 N SER A 26 -10.159 -11.364 8.137 1.00 0.00 N ATOM 382 CA SER A 26 -11.583 -11.130 8.286 1.00 0.00 C ATOM 383 C SER A 26 -11.951 -9.765 7.717 1.00 0.00 C ATOM 384 O SER A 26 -13.130 -9.462 7.531 1.00 0.00 O ATOM 385 CB SER A 26 -11.969 -11.200 9.765 1.00 0.00 C ATOM 386 OG SER A 26 -12.289 -12.544 10.102 1.00 0.00 O ATOM 0 H SER A 26 -9.613 -11.266 8.993 1.00 0.00 H new ATOM 0 HA SER A 26 -12.128 -11.899 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.147 -10.843 10.385 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.822 -10.550 9.962 1.00 0.00 H new ATOM 0 HG SER A 26 -12.535 -12.594 11.049 1.00 0.00 H new ATOM 392 N ARG A 27 -10.935 -8.941 7.445 1.00 0.00 N ATOM 393 CA ARG A 27 -11.180 -7.602 6.898 1.00 0.00 C ATOM 394 C ARG A 27 -9.868 -6.882 6.595 1.00 0.00 C ATOM 395 O ARG A 27 -8.820 -7.257 7.114 1.00 0.00 O ATOM 396 CB ARG A 27 -11.996 -6.771 7.898 1.00 0.00 C ATOM 397 CG ARG A 27 -12.888 -5.775 7.147 1.00 0.00 C ATOM 398 CD ARG A 27 -13.850 -5.093 8.128 1.00 0.00 C ATOM 399 NE ARG A 27 -14.444 -6.077 9.034 1.00 0.00 N ATOM 400 CZ ARG A 27 -14.696 -5.782 10.308 1.00 0.00 C ATOM 401 NH1 ARG A 27 -13.848 -5.068 10.996 1.00 0.00 N ATOM 402 NH2 ARG A 27 -15.791 -6.212 10.873 1.00 0.00 N ATOM 0 H ARG A 27 -9.952 -9.171 7.591 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.737 -7.715 5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.609 -7.428 8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.326 -6.236 8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.272 -5.026 6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.452 -6.292 6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.316 -4.337 8.703 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -14.636 -4.578 7.576 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.670 -7.008 8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.989 -4.734 10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.044 -4.844 11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.454 -6.774 10.339 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.984 -5.986 11.849 1.00 0.00 H new ATOM 416 N ASP A 28 -9.946 -5.818 5.790 1.00 0.00 N ATOM 417 CA ASP A 28 -8.765 -5.021 5.465 1.00 0.00 C ATOM 418 C ASP A 28 -8.456 -4.075 6.618 1.00 0.00 C ATOM 419 O ASP A 28 -8.968 -2.956 6.682 1.00 0.00 O ATOM 420 CB ASP A 28 -8.973 -4.197 4.197 1.00 0.00 C ATOM 421 CG ASP A 28 -10.176 -4.700 3.401 1.00 0.00 C ATOM 422 OD1 ASP A 28 -11.289 -4.525 3.869 1.00 0.00 O ATOM 423 OD2 ASP A 28 -9.966 -5.245 2.332 1.00 0.00 O ATOM 0 H ASP A 28 -10.809 -5.492 5.355 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.936 -5.709 5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.121 -3.150 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.078 -4.246 3.577 1.00 0.00 H new ATOM 428 N SER A 29 -7.630 -4.549 7.527 1.00 0.00 N ATOM 429 CA SER A 29 -7.247 -3.763 8.699 1.00 0.00 C ATOM 430 C SER A 29 -5.735 -3.782 8.917 1.00 0.00 C ATOM 431 O SER A 29 -5.107 -4.842 8.876 1.00 0.00 O ATOM 432 CB SER A 29 -7.949 -4.310 9.945 1.00 0.00 C ATOM 433 OG SER A 29 -9.164 -3.602 10.145 1.00 0.00 O ATOM 0 H SER A 29 -7.206 -5.476 7.484 1.00 0.00 H new ATOM 0 HA SER A 29 -7.553 -2.732 8.523 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.150 -5.375 9.826 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.304 -4.203 10.817 1.00 0.00 H new ATOM 0 HG SER A 29 -9.618 -3.950 10.941 1.00 0.00 H new ATOM 439 N ILE A 30 -5.162 -2.607 9.181 1.00 0.00 N ATOM 440 CA ILE A 30 -3.726 -2.505 9.443 1.00 0.00 C ATOM 441 C ILE A 30 -3.474 -2.751 10.931 1.00 0.00 C ATOM 442 O ILE A 30 -3.208 -1.826 11.702 1.00 0.00 O ATOM 443 CB ILE A 30 -3.180 -1.128 9.018 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.331 -0.120 8.853 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.441 -1.271 7.684 1.00 0.00 C ATOM 446 CD1 ILE A 30 -3.780 1.208 8.321 1.00 0.00 C ATOM 0 H ILE A 30 -5.665 -1.720 9.219 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.201 -3.258 8.855 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.500 -0.764 9.788 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.079 -0.516 8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.829 0.038 9.810 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.052 -0.300 7.378 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.615 -1.973 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.129 -1.642 6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.597 1.920 8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.048 1.606 9.024 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.302 1.043 7.355 1.00 0.00 H new ATOM 458 N VAL A 31 -3.603 -4.016 11.318 1.00 0.00 N ATOM 459 CA VAL A 31 -3.440 -4.438 12.710 1.00 0.00 C ATOM 460 C VAL A 31 -2.109 -5.153 12.949 1.00 0.00 C ATOM 461 O VAL A 31 -1.961 -5.880 13.935 1.00 0.00 O ATOM 462 CB VAL A 31 -4.576 -5.381 13.101 1.00 0.00 C ATOM 463 CG1 VAL A 31 -5.753 -4.578 13.664 1.00 0.00 C ATOM 464 CG2 VAL A 31 -5.038 -6.185 11.878 1.00 0.00 C ATOM 0 H VAL A 31 -3.823 -4.779 10.678 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.457 -3.535 13.321 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.213 -6.069 13.865 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.559 -5.258 13.940 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.428 -4.024 14.545 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.111 -3.879 12.908 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.848 -6.854 12.167 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.390 -5.502 11.105 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.204 -6.771 11.491 1.00 0.00 H new ATOM 474 N GLY A 32 -1.157 -4.971 12.049 1.00 0.00 N ATOM 475 CA GLY A 32 0.137 -5.633 12.177 1.00 0.00 C ATOM 476 C GLY A 32 1.239 -4.715 11.700 1.00 0.00 C ATOM 477 O GLY A 32 2.209 -5.142 11.077 1.00 0.00 O ATOM 0 H GLY A 32 -1.251 -4.375 11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.310 -5.912 13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.142 -6.554 11.594 1.00 0.00 H new ATOM 481 N LEU A 33 1.071 -3.445 12.019 1.00 0.00 N ATOM 482 CA LEU A 33 2.032 -2.428 11.650 1.00 0.00 C ATOM 483 C LEU A 33 3.276 -2.539 12.522 1.00 0.00 C ATOM 484 O LEU A 33 3.180 -2.598 13.749 1.00 0.00 O ATOM 485 CB LEU A 33 1.378 -1.061 11.825 1.00 0.00 C ATOM 486 CG LEU A 33 0.256 -0.883 10.795 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.074 0.604 10.651 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.701 -1.441 9.438 1.00 0.00 C ATOM 0 H LEU A 33 0.267 -3.093 12.539 1.00 0.00 H new ATOM 0 HA LEU A 33 2.336 -2.561 10.612 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.976 -0.967 12.834 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.122 -0.274 11.704 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.629 -1.423 11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.872 0.730 9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.399 0.999 11.613 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.813 1.143 10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.101 -1.311 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.589 -0.907 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.932 -2.502 9.539 1.00 0.00 H new ATOM 500 N HIS A 34 4.441 -2.582 11.880 1.00 0.00 N ATOM 501 CA HIS A 34 5.697 -2.704 12.610 1.00 0.00 C ATOM 502 C HIS A 34 6.529 -1.427 12.503 1.00 0.00 C ATOM 503 O HIS A 34 6.367 -0.637 11.573 1.00 0.00 O ATOM 504 CB HIS A 34 6.481 -3.910 12.081 1.00 0.00 C ATOM 505 CG HIS A 34 7.619 -4.217 13.017 1.00 0.00 C ATOM 506 ND1 HIS A 34 8.972 -4.334 12.818 1.00 0.00 N flip ATOM 507 CD2 HIS A 34 7.414 -4.453 14.368 1.00 0.00 C flip ATOM 508 CE1 HIS A 34 9.598 -4.639 14.023 1.00 0.00 C flip ATOM 509 NE2 HIS A 34 8.614 -4.699 14.924 1.00 0.00 N flip ATOM 0 H HIS A 34 4.540 -2.535 10.866 1.00 0.00 H new ATOM 0 HA HIS A 34 5.473 -2.857 13.666 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.824 -4.775 11.994 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.864 -3.699 11.082 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.464 -4.441 14.881 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.653 -4.794 14.193 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.755 -4.906 15.913 1.00 0.00 H new ATOM 517 N GLY A 35 7.415 -1.225 13.478 1.00 0.00 N ATOM 518 CA GLY A 35 8.263 -0.036 13.503 1.00 0.00 C ATOM 519 C GLY A 35 9.178 0.018 12.284 1.00 0.00 C ATOM 520 O GLY A 35 9.603 1.096 11.867 1.00 0.00 O ATOM 0 H GLY A 35 7.563 -1.867 14.257 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.639 0.857 13.532 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.864 -0.035 14.412 1.00 0.00 H new ATOM 524 N ASP A 36 9.476 -1.149 11.718 1.00 0.00 N ATOM 525 CA ASP A 36 10.342 -1.222 10.546 1.00 0.00 C ATOM 526 C ASP A 36 9.600 -1.835 9.364 1.00 0.00 C ATOM 527 O ASP A 36 10.070 -1.765 8.230 1.00 0.00 O ATOM 528 CB ASP A 36 11.585 -2.062 10.854 1.00 0.00 C ATOM 529 CG ASP A 36 12.159 -1.688 12.220 1.00 0.00 C ATOM 530 OD1 ASP A 36 12.342 -0.506 12.463 1.00 0.00 O ATOM 531 OD2 ASP A 36 12.413 -2.590 13.001 1.00 0.00 O ATOM 0 H ASP A 36 9.133 -2.051 12.050 1.00 0.00 H new ATOM 0 HA ASP A 36 10.645 -0.207 10.288 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.328 -3.121 10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.338 -1.905 10.081 1.00 0.00 H new ATOM 536 N GLU A 37 8.440 -2.435 9.631 1.00 0.00 N ATOM 537 CA GLU A 37 7.654 -3.053 8.566 1.00 0.00 C ATOM 538 C GLU A 37 6.181 -2.676 8.701 1.00 0.00 C ATOM 539 O GLU A 37 5.804 -1.917 9.589 1.00 0.00 O ATOM 540 CB GLU A 37 7.803 -4.582 8.612 1.00 0.00 C ATOM 541 CG GLU A 37 9.281 -4.967 8.775 1.00 0.00 C ATOM 542 CD GLU A 37 10.111 -4.472 7.588 1.00 0.00 C ATOM 543 OE1 GLU A 37 9.560 -4.341 6.507 1.00 0.00 O ATOM 544 OE2 GLU A 37 11.291 -4.232 7.779 1.00 0.00 O ATOM 0 H GLU A 37 8.029 -2.506 10.562 1.00 0.00 H new ATOM 0 HA GLU A 37 8.026 -2.686 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.221 -4.987 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.404 -5.021 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.672 -4.541 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.371 -6.050 8.860 1.00 0.00 H new ATOM 551 N VAL A 38 5.355 -3.208 7.807 1.00 0.00 N ATOM 552 CA VAL A 38 3.924 -2.930 7.824 1.00 0.00 C ATOM 553 C VAL A 38 3.168 -4.180 7.421 1.00 0.00 C ATOM 554 O VAL A 38 3.333 -4.672 6.307 1.00 0.00 O ATOM 555 CB VAL A 38 3.596 -1.790 6.852 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.077 -1.703 6.632 1.00 0.00 C ATOM 557 CG2 VAL A 38 4.102 -0.465 7.426 1.00 0.00 C ATOM 0 H VAL A 38 5.653 -3.835 7.060 1.00 0.00 H new ATOM 0 HA VAL A 38 3.628 -2.630 8.829 1.00 0.00 H new ATOM 0 HB VAL A 38 4.085 -1.987 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.856 -0.890 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.715 -2.643 6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.582 -1.514 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.868 0.344 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.618 -0.275 8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.181 -0.519 7.570 1.00 0.00 H new ATOM 567 N LYS A 39 2.348 -4.702 8.319 1.00 0.00 N ATOM 568 CA LYS A 39 1.595 -5.899 8.005 1.00 0.00 C ATOM 569 C LYS A 39 0.103 -5.612 8.011 1.00 0.00 C ATOM 570 O LYS A 39 -0.492 -5.371 9.062 1.00 0.00 O ATOM 571 CB LYS A 39 1.935 -7.010 8.998 1.00 0.00 C ATOM 572 CG LYS A 39 2.087 -8.323 8.231 1.00 0.00 C ATOM 573 CD LYS A 39 1.775 -9.512 9.148 1.00 0.00 C ATOM 574 CE LYS A 39 0.324 -9.429 9.634 1.00 0.00 C ATOM 575 NZ LYS A 39 -0.172 -10.798 9.957 1.00 0.00 N ATOM 0 H LYS A 39 2.190 -4.323 9.253 1.00 0.00 H new ATOM 0 HA LYS A 39 1.871 -6.231 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.857 -6.773 9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.150 -7.099 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.416 -8.331 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.102 -8.410 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.935 -10.448 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.454 -9.513 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.260 -8.790 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.303 -8.976 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.205 -10.830 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.270 -11.488 9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.072 -11.033 10.940 1.00 0.00 H new ATOM 589 N VAL A 40 -0.492 -5.644 6.821 1.00 0.00 N ATOM 590 CA VAL A 40 -1.918 -5.393 6.687 1.00 0.00 C ATOM 591 C VAL A 40 -2.632 -6.675 6.295 1.00 0.00 C ATOM 592 O VAL A 40 -2.175 -7.408 5.417 1.00 0.00 O ATOM 593 CB VAL A 40 -2.178 -4.319 5.619 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.863 -4.880 4.227 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.650 -3.890 5.670 1.00 0.00 C ATOM 0 H VAL A 40 -0.010 -5.840 5.944 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.298 -5.039 7.645 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.537 -3.459 5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.050 -4.113 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.817 -5.183 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.499 -5.743 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.833 -3.128 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.287 -4.753 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.876 -3.483 6.656 1.00 0.00 H new ATOM 605 N ALA A 41 -3.762 -6.931 6.937 1.00 0.00 N ATOM 606 CA ALA A 41 -4.537 -8.117 6.627 1.00 0.00 C ATOM 607 C ALA A 41 -5.698 -7.727 5.735 1.00 0.00 C ATOM 608 O ALA A 41 -6.614 -7.045 6.177 1.00 0.00 O ATOM 609 CB ALA A 41 -5.067 -8.777 7.905 1.00 0.00 C ATOM 0 H ALA A 41 -4.157 -6.339 7.668 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.894 -8.834 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.645 -9.664 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.229 -9.064 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.705 -8.073 8.440 1.00 0.00 H new ATOM 615 N ILE A 42 -5.652 -8.159 4.482 1.00 0.00 N ATOM 616 CA ILE A 42 -6.716 -7.842 3.542 1.00 0.00 C ATOM 617 C ILE A 42 -7.621 -9.059 3.396 1.00 0.00 C ATOM 618 O ILE A 42 -7.184 -10.195 3.588 1.00 0.00 O ATOM 619 CB ILE A 42 -6.114 -7.428 2.187 1.00 0.00 C ATOM 620 CG1 ILE A 42 -7.232 -6.941 1.259 1.00 0.00 C ATOM 621 CG2 ILE A 42 -5.397 -8.619 1.543 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.624 -6.297 0.009 1.00 0.00 C ATOM 0 H ILE A 42 -4.896 -8.725 4.096 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.308 -7.005 3.911 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.395 -6.625 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.871 -7.777 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.862 -6.221 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.975 -8.315 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.597 -8.961 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.108 -9.430 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.423 -5.952 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.004 -5.450 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.013 -7.030 -0.517 1.00 0.00 H new ATOM 634 N THR A 43 -8.889 -8.813 3.098 1.00 0.00 N ATOM 635 CA THR A 43 -9.860 -9.896 2.977 1.00 0.00 C ATOM 636 C THR A 43 -9.952 -10.414 1.542 1.00 0.00 C ATOM 637 O THR A 43 -10.933 -11.060 1.171 1.00 0.00 O ATOM 638 CB THR A 43 -11.234 -9.408 3.457 1.00 0.00 C ATOM 639 OG1 THR A 43 -12.211 -10.409 3.209 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.616 -8.121 2.722 1.00 0.00 C ATOM 0 H THR A 43 -9.269 -7.881 2.936 1.00 0.00 H new ATOM 0 HA THR A 43 -9.527 -10.725 3.602 1.00 0.00 H new ATOM 0 HB THR A 43 -11.187 -9.207 4.527 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.996 -10.876 2.375 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.592 -7.781 3.068 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.871 -7.352 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.658 -8.313 1.650 1.00 0.00 H new ATOM 648 N ALA A 44 -8.925 -10.143 0.745 1.00 0.00 N ATOM 649 CA ALA A 44 -8.908 -10.604 -0.639 1.00 0.00 C ATOM 650 C ALA A 44 -8.104 -11.898 -0.762 1.00 0.00 C ATOM 651 O ALA A 44 -7.405 -12.297 0.174 1.00 0.00 O ATOM 652 CB ALA A 44 -8.298 -9.532 -1.548 1.00 0.00 C ATOM 0 H ALA A 44 -8.101 -9.612 1.029 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.936 -10.794 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.291 -9.889 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.891 -8.620 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.277 -9.323 -1.230 1.00 0.00 H new ATOM 658 N PRO A 45 -8.189 -12.547 -1.900 1.00 0.00 N ATOM 659 CA PRO A 45 -7.457 -13.814 -2.178 1.00 0.00 C ATOM 660 C PRO A 45 -5.990 -13.561 -2.531 1.00 0.00 C ATOM 661 O PRO A 45 -5.594 -12.427 -2.798 1.00 0.00 O ATOM 662 CB PRO A 45 -8.206 -14.427 -3.376 1.00 0.00 C ATOM 663 CG PRO A 45 -9.329 -13.491 -3.706 1.00 0.00 C ATOM 664 CD PRO A 45 -9.000 -12.154 -3.050 1.00 0.00 C ATOM 0 HA PRO A 45 -7.437 -14.469 -1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.539 -14.547 -4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.588 -15.417 -3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.432 -13.377 -4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.277 -13.880 -3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.452 -11.496 -3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.901 -11.620 -2.746 1.00 0.00 H new ATOM 672 N PRO A 46 -5.188 -14.597 -2.536 1.00 0.00 N ATOM 673 CA PRO A 46 -3.737 -14.500 -2.866 1.00 0.00 C ATOM 674 C PRO A 46 -3.487 -14.310 -4.365 1.00 0.00 C ATOM 675 O PRO A 46 -2.344 -14.362 -4.822 1.00 0.00 O ATOM 676 CB PRO A 46 -3.141 -15.832 -2.377 1.00 0.00 C ATOM 677 CG PRO A 46 -4.268 -16.627 -1.784 1.00 0.00 C ATOM 678 CD PRO A 46 -5.574 -15.974 -2.227 1.00 0.00 C ATOM 0 HA PRO A 46 -3.281 -13.631 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.680 -16.374 -3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.361 -15.656 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.224 -17.663 -2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.196 -16.641 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.997 -16.476 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.327 -16.011 -1.440 1.00 0.00 H new ATOM 686 N VAL A 47 -4.560 -14.083 -5.124 1.00 0.00 N ATOM 687 CA VAL A 47 -4.440 -13.882 -6.569 1.00 0.00 C ATOM 688 C VAL A 47 -4.392 -12.390 -6.898 1.00 0.00 C ATOM 689 O VAL A 47 -4.955 -11.571 -6.175 1.00 0.00 O ATOM 690 CB VAL A 47 -5.624 -14.538 -7.287 1.00 0.00 C ATOM 691 CG1 VAL A 47 -6.925 -13.848 -6.870 1.00 0.00 C ATOM 692 CG2 VAL A 47 -5.442 -14.413 -8.805 1.00 0.00 C ATOM 0 H VAL A 47 -5.514 -14.034 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.514 -14.344 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.669 -15.592 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.766 -14.316 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.058 -13.943 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.879 -12.793 -7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.286 -14.881 -9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.392 -13.359 -9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.519 -14.910 -9.103 1.00 0.00 H new ATOM 702 N ASP A 48 -3.707 -12.046 -7.988 1.00 0.00 N ATOM 703 CA ASP A 48 -3.579 -10.646 -8.395 1.00 0.00 C ATOM 704 C ASP A 48 -4.935 -10.055 -8.763 1.00 0.00 C ATOM 705 O ASP A 48 -5.387 -9.101 -8.143 1.00 0.00 O ATOM 706 CB ASP A 48 -2.636 -10.514 -9.599 1.00 0.00 C ATOM 707 CG ASP A 48 -1.400 -11.404 -9.440 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.222 -11.969 -8.374 1.00 0.00 O ATOM 709 OD2 ASP A 48 -0.643 -11.500 -10.392 1.00 0.00 O ATOM 0 H ASP A 48 -3.235 -12.711 -8.601 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.168 -10.098 -7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.167 -10.786 -10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.326 -9.475 -9.709 1.00 0.00 H new ATOM 714 N GLY A 49 -5.572 -10.617 -9.784 1.00 0.00 N ATOM 715 CA GLY A 49 -6.871 -10.124 -10.237 1.00 0.00 C ATOM 716 C GLY A 49 -7.714 -9.586 -9.080 1.00 0.00 C ATOM 717 O GLY A 49 -8.153 -8.435 -9.104 1.00 0.00 O ATOM 0 H GLY A 49 -5.213 -11.412 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.722 -9.336 -10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.411 -10.929 -10.735 1.00 0.00 H new ATOM 721 N GLN A 50 -7.945 -10.429 -8.078 1.00 0.00 N ATOM 722 CA GLN A 50 -8.754 -10.034 -6.928 1.00 0.00 C ATOM 723 C GLN A 50 -7.965 -9.156 -5.947 1.00 0.00 C ATOM 724 O GLN A 50 -8.441 -8.094 -5.542 1.00 0.00 O ATOM 725 CB GLN A 50 -9.280 -11.287 -6.214 1.00 0.00 C ATOM 726 CG GLN A 50 -10.401 -11.928 -7.048 1.00 0.00 C ATOM 727 CD GLN A 50 -9.895 -12.287 -8.445 1.00 0.00 C ATOM 728 OE1 GLN A 50 -9.291 -13.341 -8.637 1.00 0.00 O ATOM 729 NE2 GLN A 50 -10.110 -11.466 -9.437 1.00 0.00 N ATOM 0 H GLN A 50 -7.587 -11.383 -8.038 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.591 -9.440 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.469 -12.001 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.655 -11.023 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.767 -12.824 -6.547 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.243 -11.240 -7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.611 -10.592 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.777 -11.698 -10.373 1.00 0.00 H new ATOM 738 N ALA A 51 -6.765 -9.596 -5.563 1.00 0.00 N ATOM 739 CA ALA A 51 -5.945 -8.821 -4.625 1.00 0.00 C ATOM 740 C ALA A 51 -5.640 -7.438 -5.196 1.00 0.00 C ATOM 741 O ALA A 51 -6.006 -6.419 -4.612 1.00 0.00 O ATOM 742 CB ALA A 51 -4.631 -9.551 -4.338 1.00 0.00 C ATOM 0 H ALA A 51 -6.343 -10.469 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.506 -8.709 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.033 -8.964 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.845 -10.526 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.078 -9.683 -5.268 1.00 0.00 H new ATOM 748 N ASN A 52 -4.970 -7.426 -6.345 1.00 0.00 N ATOM 749 CA ASN A 52 -4.610 -6.186 -7.024 1.00 0.00 C ATOM 750 C ASN A 52 -5.769 -5.194 -6.993 1.00 0.00 C ATOM 751 O ASN A 52 -5.605 -4.055 -6.552 1.00 0.00 O ATOM 752 CB ASN A 52 -4.235 -6.493 -8.479 1.00 0.00 C ATOM 753 CG ASN A 52 -3.640 -5.259 -9.150 1.00 0.00 C ATOM 754 OD1 ASN A 52 -4.128 -4.144 -8.956 1.00 0.00 O ATOM 755 ND2 ASN A 52 -2.611 -5.393 -9.937 1.00 0.00 N ATOM 0 H ASN A 52 -4.663 -8.270 -6.829 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.760 -5.740 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.517 -7.313 -8.510 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.118 -6.822 -9.027 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.208 -4.575 -10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.208 -6.316 -10.097 1.00 0.00 H new ATOM 762 N SER A 53 -6.939 -5.632 -7.465 1.00 0.00 N ATOM 763 CA SER A 53 -8.119 -4.769 -7.487 1.00 0.00 C ATOM 764 C SER A 53 -8.221 -3.957 -6.194 1.00 0.00 C ATOM 765 O SER A 53 -8.362 -2.735 -6.228 1.00 0.00 O ATOM 766 CB SER A 53 -9.383 -5.615 -7.658 1.00 0.00 C ATOM 767 OG SER A 53 -9.469 -6.071 -9.002 1.00 0.00 O ATOM 0 H SER A 53 -7.093 -6.571 -7.834 1.00 0.00 H new ATOM 0 HA SER A 53 -8.023 -4.081 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.360 -6.464 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.265 -5.026 -7.405 1.00 0.00 H new ATOM 0 HG SER A 53 -9.087 -6.971 -9.067 1.00 0.00 H new ATOM 773 N HIS A 54 -8.147 -4.650 -5.059 1.00 0.00 N ATOM 774 CA HIS A 54 -8.233 -3.985 -3.758 1.00 0.00 C ATOM 775 C HIS A 54 -7.057 -3.034 -3.546 1.00 0.00 C ATOM 776 O HIS A 54 -7.249 -1.891 -3.145 1.00 0.00 O ATOM 777 CB HIS A 54 -8.236 -5.022 -2.635 1.00 0.00 C ATOM 778 CG HIS A 54 -9.648 -5.373 -2.251 1.00 0.00 C ATOM 779 ND1 HIS A 54 -10.701 -5.323 -3.152 1.00 0.00 N ATOM 780 CD2 HIS A 54 -10.193 -5.787 -1.062 1.00 0.00 C ATOM 781 CE1 HIS A 54 -11.814 -5.698 -2.496 1.00 0.00 C ATOM 782 NE2 HIS A 54 -11.560 -5.992 -1.218 1.00 0.00 N ATOM 0 H HIS A 54 -8.029 -5.662 -5.012 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.161 -3.413 -3.741 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.706 -5.918 -2.957 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.703 -4.631 -1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.644 -5.932 -0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.793 -5.754 -2.948 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.225 -6.300 -0.509 1.00 0.00 H new ATOM 790 N LEU A 55 -5.843 -3.518 -3.801 1.00 0.00 N ATOM 791 CA LEU A 55 -4.644 -2.697 -3.615 1.00 0.00 C ATOM 792 C LEU A 55 -4.822 -1.319 -4.251 1.00 0.00 C ATOM 793 O LEU A 55 -4.505 -0.298 -3.638 1.00 0.00 O ATOM 794 CB LEU A 55 -3.428 -3.400 -4.230 1.00 0.00 C ATOM 795 CG LEU A 55 -2.602 -4.067 -3.126 1.00 0.00 C ATOM 796 CD1 LEU A 55 -3.445 -5.135 -2.420 1.00 0.00 C ATOM 797 CD2 LEU A 55 -1.361 -4.718 -3.745 1.00 0.00 C ATOM 0 H LEU A 55 -5.662 -4.465 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.483 -2.564 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.755 -4.147 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.815 -2.679 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.296 -3.315 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.853 -5.606 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.327 -4.670 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.756 -5.889 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.771 -5.194 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.669 -5.468 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.759 -3.956 -4.241 1.00 0.00 H new ATOM 809 N VAL A 56 -5.337 -1.298 -5.478 1.00 0.00 N ATOM 810 CA VAL A 56 -5.563 -0.039 -6.187 1.00 0.00 C ATOM 811 C VAL A 56 -6.650 0.776 -5.484 1.00 0.00 C ATOM 812 O VAL A 56 -6.682 2.003 -5.579 1.00 0.00 O ATOM 813 CB VAL A 56 -5.960 -0.329 -7.649 1.00 0.00 C ATOM 814 CG1 VAL A 56 -7.462 -0.088 -7.865 1.00 0.00 C ATOM 815 CG2 VAL A 56 -5.162 0.587 -8.584 1.00 0.00 C ATOM 0 H VAL A 56 -5.605 -2.132 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.643 0.545 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.739 -1.374 -7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.719 -0.299 -8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.034 -0.745 -7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.700 0.951 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.441 0.384 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.381 1.628 -8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.096 0.401 -8.453 1.00 0.00 H new ATOM 825 N LYS A 57 -7.542 0.073 -4.788 1.00 0.00 N ATOM 826 CA LYS A 57 -8.642 0.716 -4.075 1.00 0.00 C ATOM 827 C LYS A 57 -8.193 1.247 -2.712 1.00 0.00 C ATOM 828 O LYS A 57 -8.491 2.387 -2.358 1.00 0.00 O ATOM 829 CB LYS A 57 -9.783 -0.291 -3.885 1.00 0.00 C ATOM 830 CG LYS A 57 -11.027 0.423 -3.348 1.00 0.00 C ATOM 831 CD LYS A 57 -12.089 -0.612 -2.961 1.00 0.00 C ATOM 832 CE LYS A 57 -12.893 -1.019 -4.201 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.987 -0.032 -4.433 1.00 0.00 N ATOM 0 H LYS A 57 -7.523 -0.943 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.984 1.563 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.013 -0.776 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.476 -1.075 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.764 1.030 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.424 1.101 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.613 -1.488 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.755 -0.198 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.239 -1.064 -5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.312 -2.016 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.532 -0.309 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.616 -0.010 -3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.577 0.912 -4.581 1.00 0.00 H new ATOM 847 N PHE A 58 -7.493 0.412 -1.944 1.00 0.00 N ATOM 848 CA PHE A 58 -7.031 0.809 -0.614 1.00 0.00 C ATOM 849 C PHE A 58 -6.251 2.122 -0.663 1.00 0.00 C ATOM 850 O PHE A 58 -6.526 3.035 0.115 1.00 0.00 O ATOM 851 CB PHE A 58 -6.155 -0.295 -0.009 1.00 0.00 C ATOM 852 CG PHE A 58 -6.274 -0.272 1.500 1.00 0.00 C ATOM 853 CD1 PHE A 58 -7.492 -0.595 2.112 1.00 0.00 C ATOM 854 CD2 PHE A 58 -5.166 0.073 2.288 1.00 0.00 C ATOM 855 CE1 PHE A 58 -7.602 -0.573 3.508 1.00 0.00 C ATOM 856 CE2 PHE A 58 -5.278 0.093 3.683 1.00 0.00 C ATOM 857 CZ PHE A 58 -6.496 -0.230 4.293 1.00 0.00 C ATOM 0 H PHE A 58 -7.235 -0.536 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.910 0.960 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.463 -1.268 -0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.116 -0.150 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.346 -0.861 1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.226 0.323 1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.542 -0.821 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.424 0.358 4.289 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.582 -0.214 5.369 1.00 0.00 H new ATOM 867 N LEU A 59 -5.286 2.219 -1.576 1.00 0.00 N ATOM 868 CA LEU A 59 -4.494 3.443 -1.700 1.00 0.00 C ATOM 869 C LEU A 59 -5.278 4.492 -2.479 1.00 0.00 C ATOM 870 O LEU A 59 -5.272 5.666 -2.131 1.00 0.00 O ATOM 871 CB LEU A 59 -3.171 3.172 -2.424 1.00 0.00 C ATOM 872 CG LEU A 59 -2.173 2.470 -1.494 1.00 0.00 C ATOM 873 CD1 LEU A 59 -1.794 3.397 -0.337 1.00 0.00 C ATOM 874 CD2 LEU A 59 -2.789 1.181 -0.940 1.00 0.00 C ATOM 0 H LEU A 59 -5.036 1.478 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.279 3.806 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.353 2.553 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.746 4.111 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.277 2.223 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.085 2.890 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.338 4.305 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.689 3.657 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.073 0.690 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.693 1.421 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.040 0.514 -1.765 1.00 0.00 H new ATOM 886 N GLY A 60 -5.950 4.057 -3.540 1.00 0.00 N ATOM 887 CA GLY A 60 -6.731 4.975 -4.361 1.00 0.00 C ATOM 888 C GLY A 60 -7.750 5.735 -3.517 1.00 0.00 C ATOM 889 O GLY A 60 -7.992 6.919 -3.743 1.00 0.00 O ATOM 0 H GLY A 60 -5.970 3.085 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.065 5.682 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.246 4.419 -5.145 1.00 0.00 H new ATOM 893 N LYS A 61 -8.348 5.042 -2.551 1.00 0.00 N ATOM 894 CA LYS A 61 -9.350 5.654 -1.678 1.00 0.00 C ATOM 895 C LYS A 61 -8.700 6.444 -0.536 1.00 0.00 C ATOM 896 O LYS A 61 -9.148 7.542 -0.202 1.00 0.00 O ATOM 897 CB LYS A 61 -10.279 4.563 -1.116 1.00 0.00 C ATOM 898 CG LYS A 61 -9.688 3.969 0.167 1.00 0.00 C ATOM 899 CD LYS A 61 -10.446 2.695 0.550 1.00 0.00 C ATOM 900 CE LYS A 61 -11.743 3.057 1.279 1.00 0.00 C ATOM 901 NZ LYS A 61 -11.420 3.705 2.584 1.00 0.00 N ATOM 0 H LYS A 61 -8.158 4.060 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.933 6.360 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.263 4.985 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.418 3.777 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.632 3.744 0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.750 4.696 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.672 2.114 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.823 2.069 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.341 3.731 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.341 2.161 1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.894 3.191 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.391 3.685 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.749 4.691 2.573 1.00 0.00 H new ATOM 915 N GLN A 62 -7.658 5.874 0.069 1.00 0.00 N ATOM 916 CA GLN A 62 -6.973 6.533 1.183 1.00 0.00 C ATOM 917 C GLN A 62 -6.172 7.735 0.698 1.00 0.00 C ATOM 918 O GLN A 62 -6.224 8.808 1.297 1.00 0.00 O ATOM 919 CB GLN A 62 -6.032 5.547 1.883 1.00 0.00 C ATOM 920 CG GLN A 62 -6.825 4.702 2.887 1.00 0.00 C ATOM 921 CD GLN A 62 -7.152 5.528 4.130 1.00 0.00 C ATOM 922 OE1 GLN A 62 -6.623 6.625 4.310 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.999 5.059 5.006 1.00 0.00 N ATOM 0 H GLN A 62 -7.272 4.966 -0.190 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.732 6.877 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.553 4.901 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.238 6.089 2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.746 4.345 2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.248 3.821 3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.437 4.150 4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.223 5.602 5.840 1.00 0.00 H new ATOM 932 N PHE A 63 -5.431 7.544 -0.387 1.00 0.00 N ATOM 933 CA PHE A 63 -4.619 8.616 -0.946 1.00 0.00 C ATOM 934 C PHE A 63 -5.464 9.492 -1.861 1.00 0.00 C ATOM 935 O PHE A 63 -5.095 10.630 -2.161 1.00 0.00 O ATOM 936 CB PHE A 63 -3.426 8.037 -1.724 1.00 0.00 C ATOM 937 CG PHE A 63 -2.161 8.304 -0.950 1.00 0.00 C ATOM 938 CD1 PHE A 63 -1.531 9.548 -1.051 1.00 0.00 C ATOM 939 CD2 PHE A 63 -1.629 7.312 -0.119 1.00 0.00 C ATOM 940 CE1 PHE A 63 -0.367 9.804 -0.318 1.00 0.00 C ATOM 941 CE2 PHE A 63 -0.463 7.566 0.613 1.00 0.00 C ATOM 942 CZ PHE A 63 0.167 8.813 0.515 1.00 0.00 C ATOM 0 H PHE A 63 -5.376 6.661 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.238 9.225 -0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.558 6.965 -1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.365 8.491 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.943 10.311 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.117 6.352 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.119 10.765 -0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.049 6.801 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.065 9.010 1.082 1.00 0.00 H new ATOM 952 N ARG A 64 -6.608 8.961 -2.289 1.00 0.00 N ATOM 953 CA ARG A 64 -7.514 9.703 -3.156 1.00 0.00 C ATOM 954 C ARG A 64 -6.832 10.073 -4.474 1.00 0.00 C ATOM 955 O ARG A 64 -7.317 10.927 -5.218 1.00 0.00 O ATOM 956 CB ARG A 64 -7.985 10.965 -2.440 1.00 0.00 C ATOM 957 CG ARG A 64 -9.414 10.767 -1.922 1.00 0.00 C ATOM 958 CD ARG A 64 -9.970 12.103 -1.420 1.00 0.00 C ATOM 959 NE ARG A 64 -10.558 12.854 -2.527 1.00 0.00 N ATOM 960 CZ ARG A 64 -10.637 14.184 -2.500 1.00 0.00 C ATOM 961 NH1 ARG A 64 -9.744 14.883 -1.852 1.00 0.00 N ATOM 962 NH2 ARG A 64 -11.609 14.792 -3.124 1.00 0.00 N ATOM 0 H ARG A 64 -6.927 8.022 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.372 9.070 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.316 11.194 -1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.950 11.815 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.048 10.374 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.421 10.033 -1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.722 11.926 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.173 12.686 -0.958 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.916 12.349 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.983 14.411 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.808 15.901 -1.834 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.307 14.249 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.670 15.810 -3.104 1.00 0.00 H new ATOM 976 N VAL A 65 -5.714 9.414 -4.759 1.00 0.00 N ATOM 977 CA VAL A 65 -4.977 9.671 -5.995 1.00 0.00 C ATOM 978 C VAL A 65 -5.493 8.755 -7.099 1.00 0.00 C ATOM 979 O VAL A 65 -5.966 7.649 -6.833 1.00 0.00 O ATOM 980 CB VAL A 65 -3.469 9.445 -5.787 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.949 10.399 -4.709 1.00 0.00 C ATOM 982 CG2 VAL A 65 -3.203 7.993 -5.364 1.00 0.00 C ATOM 0 H VAL A 65 -5.299 8.703 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.132 10.711 -6.284 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.950 9.640 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.881 10.237 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.120 11.429 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.475 10.212 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.133 7.846 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.727 7.784 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.561 7.317 -6.140 1.00 0.00 H new ATOM 992 N ALA A 66 -5.417 9.239 -8.335 1.00 0.00 N ATOM 993 CA ALA A 66 -5.892 8.482 -9.488 1.00 0.00 C ATOM 994 C ALA A 66 -5.345 7.057 -9.481 1.00 0.00 C ATOM 995 O ALA A 66 -4.317 6.776 -8.861 1.00 0.00 O ATOM 996 CB ALA A 66 -5.467 9.197 -10.770 1.00 0.00 C ATOM 0 H ALA A 66 -5.030 10.154 -8.564 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.979 8.422 -9.438 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.820 8.635 -11.634 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.898 10.198 -10.788 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.380 9.269 -10.803 1.00 0.00 H new ATOM 1002 N LYS A 67 -6.041 6.161 -10.181 1.00 0.00 N ATOM 1003 CA LYS A 67 -5.620 4.766 -10.256 1.00 0.00 C ATOM 1004 C LYS A 67 -4.400 4.649 -11.158 1.00 0.00 C ATOM 1005 O LYS A 67 -3.563 3.762 -10.984 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.761 3.891 -10.793 1.00 0.00 C ATOM 1007 CG LYS A 67 -7.081 4.274 -12.243 1.00 0.00 C ATOM 1008 CD LYS A 67 -8.463 3.735 -12.627 1.00 0.00 C ATOM 1009 CE LYS A 67 -8.473 2.207 -12.517 1.00 0.00 C ATOM 1010 NZ LYS A 67 -9.618 1.659 -13.297 1.00 0.00 N ATOM 0 H LYS A 67 -6.892 6.376 -10.700 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.362 4.419 -9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.479 2.839 -10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.648 4.015 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.058 5.358 -12.356 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.323 3.868 -12.912 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.224 4.161 -11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.712 4.037 -13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.535 1.799 -12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.555 1.908 -11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.624 0.622 -13.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.509 2.039 -12.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.521 1.933 -14.295 1.00 0.00 H new ATOM 1024 N SER A 68 -4.310 5.570 -12.113 1.00 0.00 N ATOM 1025 CA SER A 68 -3.190 5.600 -13.043 1.00 0.00 C ATOM 1026 C SER A 68 -1.928 6.069 -12.322 1.00 0.00 C ATOM 1027 O SER A 68 -0.821 5.961 -12.849 1.00 0.00 O ATOM 1028 CB SER A 68 -3.519 6.546 -14.202 1.00 0.00 C ATOM 1029 OG SER A 68 -2.318 7.103 -14.725 1.00 0.00 O ATOM 0 H SER A 68 -5.001 6.305 -12.262 1.00 0.00 H new ATOM 0 HA SER A 68 -3.015 4.598 -13.435 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.051 6.006 -14.985 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.180 7.341 -13.858 1.00 0.00 H new ATOM 0 HG SER A 68 -1.546 6.639 -14.337 1.00 0.00 H new ATOM 1035 N GLN A 69 -2.111 6.584 -11.108 1.00 0.00 N ATOM 1036 CA GLN A 69 -0.990 7.064 -10.310 1.00 0.00 C ATOM 1037 C GLN A 69 -0.562 5.996 -9.306 1.00 0.00 C ATOM 1038 O GLN A 69 0.489 6.114 -8.677 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.385 8.343 -9.567 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.783 9.430 -10.574 1.00 0.00 C ATOM 1041 CD GLN A 69 -0.544 9.968 -11.284 1.00 0.00 C ATOM 1042 OE1 GLN A 69 0.028 10.973 -10.861 1.00 0.00 O ATOM 1043 NE2 GLN A 69 -0.096 9.357 -12.346 1.00 0.00 N ATOM 0 H GLN A 69 -3.022 6.679 -10.659 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.155 7.280 -10.976 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.216 8.140 -8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.553 8.690 -8.954 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.481 9.021 -11.304 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.298 10.242 -10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.572 8.525 -12.694 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.730 9.712 -12.828 1.00 0.00 H new ATOM 1052 N VAL A 70 -1.382 4.952 -9.177 1.00 0.00 N ATOM 1053 CA VAL A 70 -1.095 3.849 -8.267 1.00 0.00 C ATOM 1054 C VAL A 70 -0.417 2.721 -9.040 1.00 0.00 C ATOM 1055 O VAL A 70 -1.079 1.941 -9.725 1.00 0.00 O ATOM 1056 CB VAL A 70 -2.400 3.346 -7.630 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -2.143 2.038 -6.874 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -2.928 4.401 -6.652 1.00 0.00 C ATOM 0 H VAL A 70 -2.254 4.850 -9.696 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.429 4.192 -7.475 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.136 3.168 -8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.073 1.688 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.769 1.285 -7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.404 2.209 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.854 4.046 -6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.187 4.578 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.119 5.331 -7.188 1.00 0.00 H new ATOM 1068 N VAL A 71 0.908 2.662 -8.947 1.00 0.00 N ATOM 1069 CA VAL A 71 1.675 1.641 -9.674 1.00 0.00 C ATOM 1070 C VAL A 71 2.304 0.607 -8.732 1.00 0.00 C ATOM 1071 O VAL A 71 3.085 0.948 -7.848 1.00 0.00 O ATOM 1072 CB VAL A 71 2.783 2.314 -10.496 1.00 0.00 C ATOM 1073 CG1 VAL A 71 3.398 1.293 -11.459 1.00 0.00 C ATOM 1074 CG2 VAL A 71 2.192 3.480 -11.298 1.00 0.00 C ATOM 0 H VAL A 71 1.473 3.298 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 71 0.979 1.117 -10.329 1.00 0.00 H new ATOM 0 HB VAL A 71 3.554 2.690 -9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.185 1.771 -12.043 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.821 0.465 -10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.627 0.916 -12.130 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.980 3.957 -11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.420 3.105 -11.970 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.756 4.208 -10.614 1.00 0.00 H new ATOM 1084 N ILE A 72 1.971 -0.666 -8.959 1.00 0.00 N ATOM 1085 CA ILE A 72 2.514 -1.765 -8.157 1.00 0.00 C ATOM 1086 C ILE A 72 3.873 -2.188 -8.708 1.00 0.00 C ATOM 1087 O ILE A 72 3.965 -3.073 -9.562 1.00 0.00 O ATOM 1088 CB ILE A 72 1.551 -2.957 -8.187 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.146 -2.477 -7.802 1.00 0.00 C ATOM 1090 CG2 ILE A 72 2.023 -4.027 -7.193 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -0.876 -3.578 -8.092 1.00 0.00 C ATOM 0 H ILE A 72 1.327 -0.961 -9.693 1.00 0.00 H new ATOM 0 HA ILE A 72 2.634 -1.427 -7.128 1.00 0.00 H new ATOM 0 HB ILE A 72 1.529 -3.386 -9.189 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.119 -2.213 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.107 -1.577 -8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.337 -4.873 -7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.023 -4.363 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.045 -3.606 -6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.872 -3.232 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.857 -3.821 -9.154 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.628 -4.467 -7.512 1.00 0.00 H new ATOM 1103 N GLU A 73 4.921 -1.543 -8.215 1.00 0.00 N ATOM 1104 CA GLU A 73 6.281 -1.840 -8.659 1.00 0.00 C ATOM 1105 C GLU A 73 6.709 -3.248 -8.237 1.00 0.00 C ATOM 1106 O GLU A 73 7.830 -3.666 -8.526 1.00 0.00 O ATOM 1107 CB GLU A 73 7.249 -0.811 -8.068 1.00 0.00 C ATOM 1108 CG GLU A 73 7.011 0.555 -8.720 1.00 0.00 C ATOM 1109 CD GLU A 73 8.201 1.476 -8.459 1.00 0.00 C ATOM 1110 OE1 GLU A 73 8.418 1.823 -7.308 1.00 0.00 O ATOM 1111 OE2 GLU A 73 8.878 1.823 -9.414 1.00 0.00 O ATOM 0 H GLU A 73 4.859 -0.811 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 73 6.303 -1.790 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.106 -0.740 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.278 -1.129 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.864 0.434 -9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.100 1.003 -8.322 1.00 0.00 H new ATOM 1118 N LYS A 74 5.807 -3.971 -7.560 1.00 0.00 N ATOM 1119 CA LYS A 74 6.083 -5.330 -7.098 1.00 0.00 C ATOM 1120 C LYS A 74 5.108 -5.690 -5.986 1.00 0.00 C ATOM 1121 O LYS A 74 4.960 -4.950 -5.014 1.00 0.00 O ATOM 1122 CB LYS A 74 7.521 -5.461 -6.572 1.00 0.00 C ATOM 1123 CG LYS A 74 8.378 -6.217 -7.593 1.00 0.00 C ATOM 1124 CD LYS A 74 9.841 -5.785 -7.455 1.00 0.00 C ATOM 1125 CE LYS A 74 10.656 -6.340 -8.626 1.00 0.00 C ATOM 1126 NZ LYS A 74 10.713 -7.827 -8.537 1.00 0.00 N ATOM 0 H LYS A 74 4.875 -3.631 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 74 5.964 -6.009 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.943 -4.473 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.523 -5.990 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.289 -7.292 -7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.022 -6.014 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.909 -4.697 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.250 -6.147 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.204 -6.040 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.664 -5.926 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.363 -8.194 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.053 -8.106 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.763 -8.221 -8.693 1.00 0.00 H new ATOM 1140 N GLY A 75 4.440 -6.823 -6.141 1.00 0.00 N ATOM 1141 CA GLY A 75 3.470 -7.274 -5.152 1.00 0.00 C ATOM 1142 C GLY A 75 2.261 -7.881 -5.838 1.00 0.00 C ATOM 1143 O GLY A 75 1.399 -8.471 -5.184 1.00 0.00 O ATOM 0 H GLY A 75 4.551 -7.447 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.929 -8.010 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.160 -6.436 -4.528 1.00 0.00 H new ATOM 1147 N GLU A 76 2.212 -7.729 -7.164 1.00 0.00 N ATOM 1148 CA GLU A 76 1.108 -8.270 -7.962 1.00 0.00 C ATOM 1149 C GLU A 76 0.531 -9.529 -7.318 1.00 0.00 C ATOM 1150 O GLU A 76 -0.686 -9.662 -7.179 1.00 0.00 O ATOM 1151 CB GLU A 76 1.600 -8.608 -9.373 1.00 0.00 C ATOM 1152 CG GLU A 76 1.987 -7.323 -10.105 1.00 0.00 C ATOM 1153 CD GLU A 76 0.762 -6.724 -10.788 1.00 0.00 C ATOM 1154 OE1 GLU A 76 0.058 -5.969 -10.139 1.00 0.00 O ATOM 1155 OE2 GLU A 76 0.544 -7.032 -11.949 1.00 0.00 O ATOM 0 H GLU A 76 2.922 -7.237 -7.707 1.00 0.00 H new ATOM 0 HA GLU A 76 0.327 -7.512 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.457 -9.279 -9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.820 -9.132 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.408 -6.606 -9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.759 -7.534 -10.845 1.00 0.00 H new ATOM 1162 N LEU A 77 1.416 -10.447 -6.925 1.00 0.00 N ATOM 1163 CA LEU A 77 0.996 -11.700 -6.295 1.00 0.00 C ATOM 1164 C LEU A 77 1.713 -11.916 -4.964 1.00 0.00 C ATOM 1165 O LEU A 77 1.104 -12.353 -3.986 1.00 0.00 O ATOM 1166 CB LEU A 77 1.308 -12.875 -7.231 1.00 0.00 C ATOM 1167 CG LEU A 77 0.490 -14.107 -6.816 1.00 0.00 C ATOM 1168 CD1 LEU A 77 0.106 -14.907 -8.064 1.00 0.00 C ATOM 1169 CD2 LEU A 77 1.327 -14.995 -5.886 1.00 0.00 C ATOM 0 H LEU A 77 2.425 -10.347 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.076 -11.643 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.075 -12.603 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.373 -13.106 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.410 -13.782 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.475 -15.782 -7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.490 -14.281 -8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.009 -15.228 -8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.743 -15.868 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.228 -15.319 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.605 -14.430 -4.996 1.00 0.00 H new ATOM 1181 N GLY A 78 3.011 -11.629 -4.941 1.00 0.00 N ATOM 1182 CA GLY A 78 3.817 -11.815 -3.736 1.00 0.00 C ATOM 1183 C GLY A 78 3.244 -11.066 -2.536 1.00 0.00 C ATOM 1184 O GLY A 78 2.568 -10.048 -2.687 1.00 0.00 O ATOM 0 H GLY A 78 3.528 -11.267 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.878 -12.878 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.834 -11.471 -3.925 1.00 0.00 H new ATOM 1188 N ARG A 79 3.542 -11.576 -1.340 1.00 0.00 N ATOM 1189 CA ARG A 79 3.080 -10.952 -0.101 1.00 0.00 C ATOM 1190 C ARG A 79 3.681 -9.565 0.011 1.00 0.00 C ATOM 1191 O ARG A 79 3.051 -8.635 0.507 1.00 0.00 O ATOM 1192 CB ARG A 79 3.499 -11.785 1.115 1.00 0.00 C ATOM 1193 CG ARG A 79 4.824 -12.507 0.829 1.00 0.00 C ATOM 1194 CD ARG A 79 4.559 -13.953 0.378 1.00 0.00 C ATOM 1195 NE ARG A 79 3.315 -14.044 -0.389 1.00 0.00 N ATOM 1196 CZ ARG A 79 2.351 -14.897 -0.050 1.00 0.00 C ATOM 1197 NH1 ARG A 79 2.233 -15.296 1.187 1.00 0.00 N ATOM 1198 NH2 ARG A 79 1.518 -15.330 -0.956 1.00 0.00 N ATOM 0 H ARG A 79 4.101 -12.419 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 79 1.992 -10.891 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.608 -11.140 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.723 -12.513 1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.377 -11.974 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.446 -12.506 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.392 -14.306 -0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.501 -14.605 1.250 1.00 0.00 H new ATOM 0 HE ARG A 79 3.184 -13.441 -1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.880 -14.954 1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.493 -15.950 1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.606 -15.015 -1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.779 -15.984 -0.698 1.00 0.00 H new ATOM 1212 N HIS A 80 4.902 -9.434 -0.486 1.00 0.00 N ATOM 1213 CA HIS A 80 5.584 -8.153 -0.470 1.00 0.00 C ATOM 1214 C HIS A 80 4.866 -7.218 -1.434 1.00 0.00 C ATOM 1215 O HIS A 80 4.366 -7.659 -2.464 1.00 0.00 O ATOM 1216 CB HIS A 80 7.045 -8.331 -0.892 1.00 0.00 C ATOM 1217 CG HIS A 80 7.758 -7.012 -0.816 1.00 0.00 C ATOM 1218 ND1 HIS A 80 8.586 -6.677 0.242 1.00 0.00 N ATOM 1219 CD2 HIS A 80 7.773 -5.936 -1.662 1.00 0.00 C ATOM 1220 CE1 HIS A 80 9.062 -5.442 0.007 1.00 0.00 C ATOM 1221 NE2 HIS A 80 8.597 -4.944 -1.141 1.00 0.00 N ATOM 0 H HIS A 80 5.437 -10.196 -0.903 1.00 0.00 H new ATOM 0 HA HIS A 80 5.570 -7.732 0.535 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.535 -9.058 -0.244 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.095 -8.724 -1.907 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.796 -7.261 1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.228 -5.868 -2.592 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.738 -4.917 0.666 1.00 0.00 H new ATOM 1229 N LYS A 81 4.790 -5.940 -1.089 1.00 0.00 N ATOM 1230 CA LYS A 81 4.095 -4.983 -1.937 1.00 0.00 C ATOM 1231 C LYS A 81 4.868 -3.672 -1.994 1.00 0.00 C ATOM 1232 O LYS A 81 5.475 -3.271 -1.008 1.00 0.00 O ATOM 1233 CB LYS A 81 2.679 -4.765 -1.372 1.00 0.00 C ATOM 1234 CG LYS A 81 2.211 -3.328 -1.604 1.00 0.00 C ATOM 1235 CD LYS A 81 0.886 -3.099 -0.871 1.00 0.00 C ATOM 1236 CE LYS A 81 0.583 -1.602 -0.853 1.00 0.00 C ATOM 1237 NZ LYS A 81 1.215 -0.970 0.337 1.00 0.00 N ATOM 0 H LYS A 81 5.195 -5.546 -0.240 1.00 0.00 H new ATOM 0 HA LYS A 81 4.022 -5.368 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.984 -5.458 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.672 -4.986 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.964 -2.626 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.086 -3.143 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.081 -3.640 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.947 -3.484 0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.957 -1.136 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.495 -1.441 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.485 -0.762 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.919 -1.620 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.683 -0.086 0.053 1.00 0.00 H new ATOM 1251 N GLN A 82 4.825 -3.006 -3.150 1.00 0.00 N ATOM 1252 CA GLN A 82 5.507 -1.725 -3.316 1.00 0.00 C ATOM 1253 C GLN A 82 4.699 -0.861 -4.272 1.00 0.00 C ATOM 1254 O GLN A 82 5.020 -0.749 -5.457 1.00 0.00 O ATOM 1255 CB GLN A 82 6.942 -1.894 -3.851 1.00 0.00 C ATOM 1256 CG GLN A 82 7.475 -3.296 -3.547 1.00 0.00 C ATOM 1257 CD GLN A 82 8.920 -3.420 -4.028 1.00 0.00 C ATOM 1258 OE1 GLN A 82 9.237 -3.041 -5.156 1.00 0.00 O ATOM 1259 NE2 GLN A 82 9.824 -3.932 -3.237 1.00 0.00 N ATOM 0 H GLN A 82 4.328 -3.332 -3.979 1.00 0.00 H new ATOM 0 HA GLN A 82 5.583 -1.250 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.956 -1.720 -4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.594 -1.147 -3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.421 -3.490 -2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.854 -4.045 -4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.564 -4.247 -2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.790 -4.017 -3.554 1.00 0.00 H new ATOM 1268 N ILE A 83 3.636 -0.261 -3.749 1.00 0.00 N ATOM 1269 CA ILE A 83 2.779 0.579 -4.564 1.00 0.00 C ATOM 1270 C ILE A 83 3.376 1.973 -4.683 1.00 0.00 C ATOM 1271 O ILE A 83 3.969 2.490 -3.740 1.00 0.00 O ATOM 1272 CB ILE A 83 1.374 0.647 -3.950 1.00 0.00 C ATOM 1273 CG1 ILE A 83 0.626 -0.657 -4.269 1.00 0.00 C ATOM 1274 CG2 ILE A 83 0.606 1.837 -4.535 1.00 0.00 C ATOM 1275 CD1 ILE A 83 -0.665 -0.742 -3.446 1.00 0.00 C ATOM 0 H ILE A 83 3.352 -0.342 -2.773 1.00 0.00 H new ATOM 0 HA ILE A 83 2.702 0.148 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 83 1.453 0.774 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.391 -0.699 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.263 -1.513 -4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.390 1.879 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.141 2.760 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.521 1.719 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.186 -1.670 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.421 -0.722 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.307 0.105 -3.687 1.00 0.00 H new ATOM 1287 N LYS A 84 3.216 2.565 -5.857 1.00 0.00 N ATOM 1288 CA LYS A 84 3.741 3.895 -6.121 1.00 0.00 C ATOM 1289 C LYS A 84 2.594 4.885 -6.231 1.00 0.00 C ATOM 1290 O LYS A 84 1.715 4.730 -7.074 1.00 0.00 O ATOM 1291 CB LYS A 84 4.544 3.884 -7.431 1.00 0.00 C ATOM 1292 CG LYS A 84 5.862 4.649 -7.252 1.00 0.00 C ATOM 1293 CD LYS A 84 5.712 6.081 -7.781 1.00 0.00 C ATOM 1294 CE LYS A 84 4.861 6.904 -6.809 1.00 0.00 C ATOM 1295 NZ LYS A 84 5.421 8.279 -6.697 1.00 0.00 N ATOM 0 H LYS A 84 2.725 2.143 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 84 4.395 4.193 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.750 2.857 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.957 4.338 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.141 4.669 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.664 4.138 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.694 6.540 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.246 6.068 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.830 6.948 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.845 6.426 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.696 8.919 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.244 8.268 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.714 8.612 -7.638 1.00 0.00 H new ATOM 1309 N ILE A 85 2.612 5.896 -5.372 1.00 0.00 N ATOM 1310 CA ILE A 85 1.568 6.912 -5.375 1.00 0.00 C ATOM 1311 C ILE A 85 2.093 8.208 -5.987 1.00 0.00 C ATOM 1312 O ILE A 85 2.691 9.035 -5.297 1.00 0.00 O ATOM 1313 CB ILE A 85 1.086 7.172 -3.938 1.00 0.00 C ATOM 1314 CG1 ILE A 85 0.128 6.052 -3.506 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.354 8.518 -3.869 1.00 0.00 C ATOM 1316 CD1 ILE A 85 0.881 5.036 -2.642 1.00 0.00 C ATOM 0 H ILE A 85 3.336 6.034 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 85 0.732 6.553 -5.975 1.00 0.00 H new ATOM 0 HB ILE A 85 1.949 7.195 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.708 6.471 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.290 5.559 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.015 8.696 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.032 9.317 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.506 8.499 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.199 4.242 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.702 4.608 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.278 5.534 -1.757 1.00 0.00 H new ATOM 1328 N ILE A 86 1.860 8.377 -7.282 1.00 0.00 N ATOM 1329 CA ILE A 86 2.304 9.582 -7.975 1.00 0.00 C ATOM 1330 C ILE A 86 1.296 10.702 -7.747 1.00 0.00 C ATOM 1331 O ILE A 86 0.092 10.451 -7.677 1.00 0.00 O ATOM 1332 CB ILE A 86 2.437 9.316 -9.479 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.337 8.094 -9.717 1.00 0.00 C ATOM 1334 CG2 ILE A 86 3.048 10.544 -10.160 1.00 0.00 C ATOM 1335 CD1 ILE A 86 3.238 7.657 -11.184 1.00 0.00 C ATOM 0 H ILE A 86 1.371 7.703 -7.870 1.00 0.00 H new ATOM 0 HA ILE A 86 3.277 9.875 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 86 1.450 9.118 -9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.370 8.337 -9.469 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.036 7.276 -9.063 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.144 10.357 -11.230 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.403 11.408 -9.999 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.033 10.742 -9.737 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.878 6.790 -11.349 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.206 7.396 -11.417 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.560 8.474 -11.830 1.00 0.00 H new ATOM 1347 N ASN A 87 1.784 11.934 -7.630 1.00 0.00 N ATOM 1348 CA ASN A 87 0.895 13.072 -7.410 1.00 0.00 C ATOM 1349 C ASN A 87 0.027 12.833 -6.173 1.00 0.00 C ATOM 1350 O ASN A 87 -1.138 12.451 -6.285 1.00 0.00 O ATOM 1351 CB ASN A 87 -0.001 13.277 -8.640 1.00 0.00 C ATOM 1352 CG ASN A 87 -0.402 14.743 -8.762 1.00 0.00 C ATOM 1353 OD1 ASN A 87 -0.737 15.383 -7.765 1.00 0.00 O ATOM 1354 ND2 ASN A 87 -0.392 15.315 -9.934 1.00 0.00 N ATOM 0 H ASN A 87 2.775 12.169 -7.683 1.00 0.00 H new ATOM 0 HA ASN A 87 1.499 13.965 -7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.527 12.961 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.892 12.655 -8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.662 16.294 -10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.114 14.783 -10.759 1.00 0.00 H new ATOM 1361 N PRO A 88 0.578 13.042 -5.005 1.00 0.00 N ATOM 1362 CA PRO A 88 -0.149 12.836 -3.723 1.00 0.00 C ATOM 1363 C PRO A 88 -1.163 13.945 -3.445 1.00 0.00 C ATOM 1364 O PRO A 88 -0.832 15.131 -3.501 1.00 0.00 O ATOM 1365 CB PRO A 88 0.955 12.821 -2.652 1.00 0.00 C ATOM 1366 CG PRO A 88 2.262 13.013 -3.365 1.00 0.00 C ATOM 1367 CD PRO A 88 1.949 13.498 -4.777 1.00 0.00 C ATOM 0 HA PRO A 88 -0.733 11.916 -3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.794 13.614 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.949 11.878 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.882 13.739 -2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.822 12.079 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.028 14.582 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.638 13.075 -5.508 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.396 13.543 -3.144 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.463 14.497 -2.852 1.00 0.00 C ATOM 1377 C GLN A 89 -3.872 14.399 -1.384 1.00 0.00 C ATOM 1378 O GLN A 89 -4.307 15.384 -0.783 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.675 14.207 -3.743 1.00 0.00 C ATOM 1380 CG GLN A 89 -5.679 15.360 -3.645 1.00 0.00 C ATOM 1381 CD GLN A 89 -5.170 16.566 -4.429 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -4.898 17.616 -3.847 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -5.029 16.478 -5.723 1.00 0.00 N ATOM 0 H GLN A 89 -2.680 12.565 -3.096 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.098 15.504 -3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.355 14.078 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.148 13.274 -3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.646 15.044 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.831 15.633 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.255 15.607 -6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.693 17.281 -6.255 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.727 13.204 -0.815 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.082 12.975 0.580 1.00 0.00 C ATOM 1394 C GLN A 90 -3.103 11.998 1.218 1.00 0.00 C ATOM 1395 O GLN A 90 -3.051 10.828 0.845 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.505 12.410 0.671 1.00 0.00 C ATOM 1397 CG GLN A 90 -5.835 12.056 2.126 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.281 11.579 2.240 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -7.551 10.569 2.889 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -8.232 12.247 1.644 1.00 0.00 N ATOM 0 H GLN A 90 -3.367 12.382 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.036 13.925 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.220 13.141 0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.594 11.524 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.159 11.278 2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.681 12.927 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.007 13.084 1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.199 11.932 1.716 1.00 0.00 H new ATOM 1409 N ILE A 91 -2.335 12.485 2.185 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.364 11.640 2.872 1.00 0.00 C ATOM 1411 C ILE A 91 -1.818 11.361 4.306 1.00 0.00 C ATOM 1412 O ILE A 91 -1.824 12.258 5.151 1.00 0.00 O ATOM 1413 CB ILE A 91 0.016 12.313 2.879 1.00 0.00 C ATOM 1414 CG1 ILE A 91 1.023 11.395 3.589 1.00 0.00 C ATOM 1415 CG2 ILE A 91 -0.054 13.661 3.607 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.399 11.534 2.934 1.00 0.00 C ATOM 0 H ILE A 91 -2.364 13.452 2.510 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.292 10.693 2.338 1.00 0.00 H new ATOM 0 HB ILE A 91 0.335 12.486 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.085 11.655 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.687 10.360 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.931 14.127 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.765 14.312 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.378 13.503 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.110 10.882 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.332 11.252 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.736 12.568 3.011 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.201 10.139 4.592 1.00 0.00 N ATOM 1429 CA PRO A 92 -2.662 9.746 5.953 1.00 0.00 C ATOM 1430 C PRO A 92 -1.539 9.833 6.986 1.00 0.00 C ATOM 1431 O PRO A 92 -0.390 10.108 6.641 1.00 0.00 O ATOM 1432 CB PRO A 92 -3.175 8.306 5.805 1.00 0.00 C ATOM 1433 CG PRO A 92 -3.007 7.913 4.368 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.225 9.013 3.651 1.00 0.00 C ATOM 0 HA PRO A 92 -3.437 10.420 6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.617 7.632 6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.222 8.240 6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.478 6.963 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.980 7.773 3.898 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.216 8.683 3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.706 9.292 2.714 1.00 0.00 H new ATOM 1442 N PRO A 93 -1.853 9.615 8.241 1.00 0.00 N ATOM 1443 CA PRO A 93 -0.853 9.684 9.344 1.00 0.00 C ATOM 1444 C PRO A 93 0.116 8.504 9.319 1.00 0.00 C ATOM 1445 O PRO A 93 1.196 8.569 9.898 1.00 0.00 O ATOM 1446 CB PRO A 93 -1.688 9.679 10.635 1.00 0.00 C ATOM 1447 CG PRO A 93 -3.131 9.612 10.229 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.187 9.272 8.740 1.00 0.00 C ATOM 0 HA PRO A 93 -0.227 10.572 9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.424 8.826 11.261 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.495 10.577 11.222 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.656 8.856 10.813 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.626 10.564 10.421 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.412 8.218 8.581 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.962 9.844 8.230 1.00 0.00 H new ATOM 1456 N GLU A 94 -0.283 7.432 8.645 1.00 0.00 N ATOM 1457 CA GLU A 94 0.553 6.238 8.545 1.00 0.00 C ATOM 1458 C GLU A 94 1.973 6.600 8.121 1.00 0.00 C ATOM 1459 O GLU A 94 2.937 6.317 8.835 1.00 0.00 O ATOM 1460 CB GLU A 94 -0.047 5.282 7.516 1.00 0.00 C ATOM 1461 CG GLU A 94 -1.063 4.354 8.193 1.00 0.00 C ATOM 1462 CD GLU A 94 -2.085 5.173 8.979 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -2.978 5.725 8.356 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -1.959 5.238 10.191 1.00 0.00 O ATOM 0 H GLU A 94 -1.178 7.363 8.160 1.00 0.00 H new ATOM 0 HA GLU A 94 0.591 5.762 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.532 5.848 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.743 4.692 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.571 3.750 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.547 3.664 8.861 1.00 0.00 H new ATOM 1471 N VAL A 95 2.088 7.222 6.953 1.00 0.00 N ATOM 1472 CA VAL A 95 3.386 7.621 6.425 1.00 0.00 C ATOM 1473 C VAL A 95 3.861 8.899 7.102 1.00 0.00 C ATOM 1474 O VAL A 95 5.058 9.165 7.174 1.00 0.00 O ATOM 1475 CB VAL A 95 3.276 7.848 4.912 1.00 0.00 C ATOM 1476 CG1 VAL A 95 4.556 8.506 4.382 1.00 0.00 C ATOM 1477 CG2 VAL A 95 3.070 6.501 4.212 1.00 0.00 C ATOM 0 H VAL A 95 1.298 7.461 6.354 1.00 0.00 H new ATOM 0 HA VAL A 95 4.108 6.829 6.624 1.00 0.00 H new ATOM 0 HB VAL A 95 2.429 8.504 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.466 8.662 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.704 9.466 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.409 7.858 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.991 6.658 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.917 5.848 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.155 6.037 4.579 1.00 0.00 H new ATOM 1487 N ALA A 96 2.913 9.688 7.591 1.00 0.00 N ATOM 1488 CA ALA A 96 3.249 10.946 8.254 1.00 0.00 C ATOM 1489 C ALA A 96 3.828 10.698 9.644 1.00 0.00 C ATOM 1490 O ALA A 96 4.620 11.495 10.147 1.00 0.00 O ATOM 1491 CB ALA A 96 2.004 11.830 8.369 1.00 0.00 C ATOM 0 H ALA A 96 1.915 9.484 7.543 1.00 0.00 H new ATOM 0 HA ALA A 96 4.002 11.452 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.266 12.765 8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.616 12.044 7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 96 1.242 11.312 8.951 1.00 0.00 H new ATOM 1497 N ALA A 97 3.420 9.597 10.265 1.00 0.00 N ATOM 1498 CA ALA A 97 3.897 9.265 11.603 1.00 0.00 C ATOM 1499 C ALA A 97 5.395 8.974 11.598 1.00 0.00 C ATOM 1500 O ALA A 97 6.050 9.060 12.638 1.00 0.00 O ATOM 1501 CB ALA A 97 3.141 8.048 12.142 1.00 0.00 C ATOM 0 H ALA A 97 2.765 8.924 9.867 1.00 0.00 H new ATOM 0 HA ALA A 97 3.715 10.125 12.248 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.504 7.808 13.141 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.075 8.272 12.187 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.305 7.196 11.482 1.00 0.00 H new ATOM 1507 N LEU A 98 5.931 8.630 10.428 1.00 0.00 N ATOM 1508 CA LEU A 98 7.357 8.329 10.311 1.00 0.00 C ATOM 1509 C LEU A 98 8.058 9.329 9.389 1.00 0.00 C ATOM 1510 O LEU A 98 9.286 9.335 9.295 1.00 0.00 O ATOM 1511 CB LEU A 98 7.553 6.897 9.795 1.00 0.00 C ATOM 1512 CG LEU A 98 7.174 6.806 8.312 1.00 0.00 C ATOM 1513 CD1 LEU A 98 8.445 6.766 7.457 1.00 0.00 C ATOM 1514 CD2 LEU A 98 6.363 5.530 8.072 1.00 0.00 C ATOM 0 H LEU A 98 5.406 8.553 9.557 1.00 0.00 H new ATOM 0 HA LEU A 98 7.806 8.414 11.301 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.591 6.594 9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.941 6.207 10.376 1.00 0.00 H new ATOM 0 HG LEU A 98 6.579 7.677 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.173 6.701 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.026 7.672 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.041 5.896 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.093 5.464 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.961 4.662 8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.457 5.555 8.678 1.00 0.00 H new ATOM 1526 N ILE A 99 7.274 10.177 8.723 1.00 0.00 N ATOM 1527 CA ILE A 99 7.836 11.184 7.823 1.00 0.00 C ATOM 1528 C ILE A 99 7.798 12.558 8.484 1.00 0.00 C ATOM 1529 O ILE A 99 8.795 13.281 8.489 1.00 0.00 O ATOM 1530 CB ILE A 99 7.052 11.215 6.502 1.00 0.00 C ATOM 1531 CG1 ILE A 99 7.404 9.972 5.670 1.00 0.00 C ATOM 1532 CG2 ILE A 99 7.409 12.481 5.712 1.00 0.00 C ATOM 1533 CD1 ILE A 99 8.903 9.953 5.356 1.00 0.00 C ATOM 0 H ILE A 99 6.256 10.187 8.789 1.00 0.00 H new ATOM 0 HA ILE A 99 8.872 10.922 7.610 1.00 0.00 H new ATOM 0 HB ILE A 99 5.984 11.219 6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.128 9.070 6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.831 9.972 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.849 12.496 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.154 13.362 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.477 12.486 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.140 9.068 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.168 10.847 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.470 9.931 6.287 1.00 0.00 H new ATOM 1545 N ASN A 100 6.644 12.912 9.048 1.00 0.00 N ATOM 1546 CA ASN A 100 6.496 14.204 9.714 1.00 0.00 C ATOM 1547 C ASN A 100 7.009 14.125 11.151 1.00 0.00 C ATOM 1548 O ASN A 100 7.169 15.146 11.818 1.00 0.00 O ATOM 1549 CB ASN A 100 5.025 14.635 9.709 1.00 0.00 C ATOM 1550 CG ASN A 100 4.661 15.216 8.348 1.00 0.00 C ATOM 1551 OD1 ASN A 100 4.538 14.480 7.370 1.00 0.00 O ATOM 1552 ND2 ASN A 100 4.479 16.503 8.227 1.00 0.00 N ATOM 0 H ASN A 100 5.807 12.329 9.057 1.00 0.00 H new ATOM 0 HA ASN A 100 7.086 14.943 9.171 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.386 13.781 9.933 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.851 15.376 10.489 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.234 16.900 7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.582 17.111 9.039 1.00 0.00 H new