USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 513 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 Single : A 6 LYS NZ :NH3+ 151:sc= 1.83 (180deg=1.49) USER MOD Single : A 7 MET CE :methyl 139:sc= -0.306 (180deg=-1.73) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 1.1 (180deg=1.01) USER MOD Single : A 18 THR OG1 : rot -29:sc= 0.527 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc=-0.00206 (180deg=-0.0926) USER MOD Single : A 29 GLN : amide:sc=-0.00772 X(o=-0.0077,f=-0.36) USER MOD Single : A 32 GLN : amide:sc=-0.00533 K(o=-0.0053,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 101:sc= 0.783 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-1.2) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 149:sc= -2.14 (180deg=-2.56) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 2.01 (180deg=1.61) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.18) USER MOD Single : A 60 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.4!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.580 7.357 8.280 1.00 0.00 N ATOM 26 CA VAL A 3 -3.223 7.867 8.242 1.00 0.00 C ATOM 27 C VAL A 3 -2.518 7.271 7.027 1.00 0.00 C ATOM 28 O VAL A 3 -2.874 6.187 6.560 1.00 0.00 O ATOM 29 CB VAL A 3 -2.491 7.509 9.546 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.116 8.190 9.591 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.326 7.914 10.766 1.00 0.00 C ATOM 0 HA VAL A 3 -3.226 8.954 8.155 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.347 6.429 9.572 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.610 7.927 10.520 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.517 7.856 8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.244 9.271 9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.789 7.652 11.678 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.502 8.989 10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.281 7.389 10.744 1.00 0.00 H new ATOM 41 N VAL A 4 -1.546 8.017 6.499 1.00 0.00 N ATOM 42 CA VAL A 4 -0.818 7.685 5.296 1.00 0.00 C ATOM 43 C VAL A 4 0.266 6.637 5.570 1.00 0.00 C ATOM 44 O VAL A 4 0.910 6.669 6.616 1.00 0.00 O ATOM 45 CB VAL A 4 -0.324 8.985 4.644 1.00 0.00 C ATOM 46 CG1 VAL A 4 1.092 9.313 5.089 1.00 0.00 C ATOM 47 CG2 VAL A 4 -0.384 8.871 3.125 1.00 0.00 C ATOM 0 H VAL A 4 -1.242 8.895 6.919 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.469 7.199 4.569 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.979 9.795 4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.418 10.238 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.114 9.435 6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.761 8.502 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.031 9.799 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.248 8.046 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.412 8.686 2.814 1.00 0.00 H new ATOM 57 N LEU A 5 0.481 5.733 4.612 1.00 0.00 N ATOM 58 CA LEU A 5 1.519 4.714 4.636 1.00 0.00 C ATOM 59 C LEU A 5 2.357 4.860 3.375 1.00 0.00 C ATOM 60 O LEU A 5 1.795 4.960 2.286 1.00 0.00 O ATOM 61 CB LEU A 5 0.864 3.335 4.680 1.00 0.00 C ATOM 62 CG LEU A 5 1.911 2.204 4.650 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.886 1.371 5.926 1.00 0.00 C ATOM 64 CD2 LEU A 5 1.720 1.291 3.443 1.00 0.00 C ATOM 0 H LEU A 5 -0.089 5.694 3.767 1.00 0.00 H new ATOM 0 HA LEU A 5 2.155 4.828 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.260 3.248 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.187 3.227 3.833 1.00 0.00 H new ATOM 0 HG LEU A 5 2.883 2.691 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.639 0.586 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.100 2.011 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.901 0.920 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.477 0.507 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.729 0.840 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.818 1.874 2.527 1.00 0.00 H new ATOM 76 N LYS A 6 3.684 4.847 3.527 1.00 0.00 N ATOM 77 CA LYS A 6 4.657 4.876 2.441 1.00 0.00 C ATOM 78 C LYS A 6 5.283 3.484 2.342 1.00 0.00 C ATOM 79 O LYS A 6 6.087 3.109 3.199 1.00 0.00 O ATOM 80 CB LYS A 6 5.708 5.968 2.713 1.00 0.00 C ATOM 81 CG LYS A 6 5.483 7.217 1.850 1.00 0.00 C ATOM 82 CD LYS A 6 6.286 7.263 0.538 1.00 0.00 C ATOM 83 CE LYS A 6 6.091 6.111 -0.454 1.00 0.00 C ATOM 84 NZ LYS A 6 6.985 4.964 -0.193 1.00 0.00 N ATOM 0 H LYS A 6 4.123 4.815 4.447 1.00 0.00 H new ATOM 0 HA LYS A 6 4.185 5.121 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.676 6.246 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.703 5.568 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.422 7.286 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.734 8.097 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.039 8.193 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.345 7.311 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.055 5.774 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.265 6.477 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.527 4.087 -0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.879 5.096 -0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.179 4.900 0.827 1.00 0.00 H new ATOM 98 N MET A 7 4.960 2.750 1.272 1.00 0.00 N ATOM 99 CA MET A 7 5.555 1.455 0.971 1.00 0.00 C ATOM 100 C MET A 7 6.402 1.521 -0.300 1.00 0.00 C ATOM 101 O MET A 7 6.320 2.495 -1.054 1.00 0.00 O ATOM 102 CB MET A 7 4.479 0.362 0.925 1.00 0.00 C ATOM 103 CG MET A 7 3.643 0.307 -0.355 1.00 0.00 C ATOM 104 SD MET A 7 2.460 -1.070 -0.382 1.00 0.00 S ATOM 105 CE MET A 7 3.556 -2.472 -0.707 1.00 0.00 C ATOM 0 H MET A 7 4.268 3.048 0.585 1.00 0.00 H new ATOM 0 HA MET A 7 6.238 1.185 1.776 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.963 -0.605 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.806 0.505 1.771 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.100 1.246 -0.467 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.310 0.221 -1.213 1.00 0.00 H new ATOM 0 HE1 MET A 7 3.253 -3.320 -0.093 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.494 -2.746 -1.760 1.00 0.00 H new ATOM 0 HE3 MET A 7 4.582 -2.196 -0.463 1.00 0.00 H new ATOM 115 N LYS A 8 7.230 0.495 -0.483 1.00 0.00 N ATOM 116 CA LYS A 8 8.134 0.218 -1.584 1.00 0.00 C ATOM 117 C LYS A 8 7.551 -0.981 -2.337 1.00 0.00 C ATOM 118 O LYS A 8 7.176 -1.970 -1.700 1.00 0.00 O ATOM 119 CB LYS A 8 9.521 -0.114 -0.993 1.00 0.00 C ATOM 120 CG LYS A 8 10.649 0.802 -1.483 1.00 0.00 C ATOM 121 CD LYS A 8 10.993 0.494 -2.945 1.00 0.00 C ATOM 122 CE LYS A 8 12.276 1.164 -3.464 1.00 0.00 C ATOM 123 NZ LYS A 8 12.092 2.584 -3.823 1.00 0.00 N ATOM 0 H LYS A 8 7.285 -0.242 0.220 1.00 0.00 H new ATOM 0 HA LYS A 8 8.244 1.063 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.465 -0.053 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.772 -1.145 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.347 1.845 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.532 0.667 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.092 -0.585 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.158 0.806 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.051 1.087 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.633 0.619 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.951 2.938 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.283 2.676 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.912 3.139 -2.962 1.00 0.00 H new ATOM 137 N VAL A 9 7.447 -0.873 -3.665 1.00 0.00 N ATOM 138 CA VAL A 9 6.843 -1.887 -4.521 1.00 0.00 C ATOM 139 C VAL A 9 7.898 -2.332 -5.531 1.00 0.00 C ATOM 140 O VAL A 9 7.889 -1.891 -6.679 1.00 0.00 O ATOM 141 CB VAL A 9 5.577 -1.326 -5.201 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.791 -2.464 -5.867 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.667 -0.615 -4.193 1.00 0.00 C ATOM 0 H VAL A 9 7.788 -0.062 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 9 6.522 -2.752 -3.940 1.00 0.00 H new ATOM 0 HB VAL A 9 5.899 -0.603 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.899 -2.059 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.416 -2.948 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.499 -3.194 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.785 -0.232 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.360 -1.319 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.208 0.213 -3.735 1.00 0.00 H new ATOM 153 N GLU A 10 8.832 -3.177 -5.086 1.00 0.00 N ATOM 154 CA GLU A 10 9.932 -3.600 -5.945 1.00 0.00 C ATOM 155 C GLU A 10 9.458 -4.566 -7.040 1.00 0.00 C ATOM 156 O GLU A 10 8.288 -4.947 -7.112 1.00 0.00 O ATOM 157 CB GLU A 10 11.073 -4.194 -5.110 1.00 0.00 C ATOM 158 CG GLU A 10 11.603 -3.236 -4.034 1.00 0.00 C ATOM 159 CD GLU A 10 12.469 -2.084 -4.547 1.00 0.00 C ATOM 160 OE1 GLU A 10 12.104 -1.471 -5.570 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.443 -1.758 -3.837 1.00 0.00 O ATOM 0 H GLU A 10 8.846 -3.575 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 10 10.319 -2.718 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.725 -5.109 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.892 -4.473 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.753 -2.817 -3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.184 -3.812 -3.314 1.00 0.00 H new ATOM 168 N GLY A 11 10.380 -4.967 -7.918 1.00 0.00 N ATOM 169 CA GLY A 11 10.120 -5.936 -8.975 1.00 0.00 C ATOM 170 C GLY A 11 9.428 -5.288 -10.172 1.00 0.00 C ATOM 171 O GLY A 11 9.892 -5.412 -11.303 1.00 0.00 O ATOM 0 H GLY A 11 11.339 -4.621 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.059 -6.386 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.497 -6.742 -8.586 1.00 0.00 H new ATOM 256 N THR A 18 -0.227 -0.775 -11.477 1.00 0.00 N ATOM 257 CA THR A 18 -0.686 0.266 -10.576 1.00 0.00 C ATOM 258 C THR A 18 -2.171 0.028 -10.355 1.00 0.00 C ATOM 259 O THR A 18 -2.555 -0.557 -9.352 1.00 0.00 O ATOM 260 CB THR A 18 -0.439 1.639 -11.229 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.866 1.592 -12.583 1.00 0.00 O ATOM 262 CG2 THR A 18 1.043 2.000 -11.219 1.00 0.00 C ATOM 0 HA THR A 18 -0.156 0.247 -9.624 1.00 0.00 H new ATOM 0 HB THR A 18 -0.994 2.386 -10.661 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.778 0.677 -12.922 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.183 2.974 -11.687 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.402 2.036 -10.190 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.605 1.247 -11.773 1.00 0.00 H new ATOM 270 N SER A 19 -3.006 0.433 -11.310 1.00 0.00 N ATOM 271 CA SER A 19 -4.439 0.558 -11.088 1.00 0.00 C ATOM 272 C SER A 19 -5.083 -0.725 -10.571 1.00 0.00 C ATOM 273 O SER A 19 -5.919 -0.688 -9.671 1.00 0.00 O ATOM 274 CB SER A 19 -5.115 1.128 -12.341 1.00 0.00 C ATOM 275 OG SER A 19 -6.426 1.569 -12.047 1.00 0.00 O ATOM 0 H SER A 19 -2.707 0.682 -12.253 1.00 0.00 H new ATOM 0 HA SER A 19 -4.595 1.271 -10.278 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.526 1.958 -12.732 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.149 0.366 -13.120 1.00 0.00 H new ATOM 0 HG SER A 19 -6.839 1.930 -12.859 1.00 0.00 H new ATOM 281 N THR A 20 -4.631 -1.870 -11.081 1.00 0.00 N ATOM 282 CA THR A 20 -4.957 -3.168 -10.516 1.00 0.00 C ATOM 283 C THR A 20 -4.724 -3.204 -9.001 1.00 0.00 C ATOM 284 O THR A 20 -5.647 -3.492 -8.238 1.00 0.00 O ATOM 285 CB THR A 20 -4.158 -4.240 -11.280 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.860 -4.589 -12.454 1.00 0.00 O ATOM 287 CG2 THR A 20 -3.876 -5.494 -10.458 1.00 0.00 C ATOM 0 H THR A 20 -4.026 -1.918 -11.901 1.00 0.00 H new ATOM 0 HA THR A 20 -6.020 -3.375 -10.638 1.00 0.00 H new ATOM 0 HB THR A 20 -3.187 -3.804 -11.517 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.356 -5.270 -12.946 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.310 -6.204 -11.061 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.298 -5.227 -9.573 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.819 -5.948 -10.152 1.00 0.00 H new ATOM 295 N ILE A 21 -3.493 -2.932 -8.563 1.00 0.00 N ATOM 296 CA ILE A 21 -3.136 -2.857 -7.162 1.00 0.00 C ATOM 297 C ILE A 21 -4.026 -1.820 -6.479 1.00 0.00 C ATOM 298 O ILE A 21 -4.643 -2.143 -5.472 1.00 0.00 O ATOM 299 CB ILE A 21 -1.622 -2.574 -7.053 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.820 -3.852 -7.348 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.157 -1.998 -5.716 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.229 -3.850 -8.752 1.00 0.00 C ATOM 0 H ILE A 21 -2.709 -2.756 -9.191 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.312 -3.797 -6.640 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.434 -1.800 -7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.017 -3.951 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.468 -4.721 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.079 -1.836 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.662 -1.049 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.398 -2.697 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.328 -4.773 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.033 -3.778 -9.485 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.441 -2.997 -8.864 1.00 0.00 H new ATOM 314 N GLU A 22 -4.120 -0.604 -7.021 1.00 0.00 N ATOM 315 CA GLU A 22 -4.836 0.495 -6.395 1.00 0.00 C ATOM 316 C GLU A 22 -6.285 0.099 -6.119 1.00 0.00 C ATOM 317 O GLU A 22 -6.716 0.013 -4.974 1.00 0.00 O ATOM 318 CB GLU A 22 -4.740 1.757 -7.264 1.00 0.00 C ATOM 319 CG GLU A 22 -3.278 2.183 -7.427 1.00 0.00 C ATOM 320 CD GLU A 22 -3.137 3.520 -8.132 1.00 0.00 C ATOM 321 OE1 GLU A 22 -3.409 3.541 -9.351 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.735 4.478 -7.437 1.00 0.00 O ATOM 0 H GLU A 22 -3.695 -0.358 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.373 0.723 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.181 1.567 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.312 2.565 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.809 2.242 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.741 1.420 -7.991 1.00 0.00 H new ATOM 329 N GLY A 23 -7.021 -0.165 -7.191 1.00 0.00 N ATOM 330 CA GLY A 23 -8.385 -0.663 -7.181 1.00 0.00 C ATOM 331 C GLY A 23 -8.565 -1.851 -6.235 1.00 0.00 C ATOM 332 O GLY A 23 -9.453 -1.826 -5.384 1.00 0.00 O ATOM 0 H GLY A 23 -6.662 -0.030 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.060 0.140 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.668 -0.960 -8.191 1.00 0.00 H new ATOM 336 N LYS A 24 -7.749 -2.903 -6.378 1.00 0.00 N ATOM 337 CA LYS A 24 -7.903 -4.099 -5.558 1.00 0.00 C ATOM 338 C LYS A 24 -7.697 -3.776 -4.076 1.00 0.00 C ATOM 339 O LYS A 24 -8.540 -4.108 -3.250 1.00 0.00 O ATOM 340 CB LYS A 24 -6.986 -5.222 -6.062 1.00 0.00 C ATOM 341 CG LYS A 24 -7.089 -6.477 -5.181 1.00 0.00 C ATOM 342 CD LYS A 24 -6.858 -7.755 -5.997 1.00 0.00 C ATOM 343 CE LYS A 24 -6.651 -8.951 -5.054 1.00 0.00 C ATOM 344 NZ LYS A 24 -6.721 -10.247 -5.762 1.00 0.00 N ATOM 0 H LYS A 24 -6.983 -2.945 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.925 -4.465 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.251 -5.475 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.954 -4.871 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.356 -6.420 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.073 -6.515 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.712 -7.939 -6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.986 -7.633 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.682 -8.860 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.408 -8.927 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.575 -11.022 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.655 -10.349 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.982 -10.284 -6.493 1.00 0.00 H new ATOM 358 N ILE A 25 -6.596 -3.122 -3.719 1.00 0.00 N ATOM 359 CA ILE A 25 -6.346 -2.640 -2.375 1.00 0.00 C ATOM 360 C ILE A 25 -7.489 -1.733 -1.908 1.00 0.00 C ATOM 361 O ILE A 25 -7.898 -1.806 -0.755 1.00 0.00 O ATOM 362 CB ILE A 25 -4.976 -1.940 -2.402 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.815 -2.897 -2.695 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.701 -1.099 -1.166 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.475 -3.713 -1.465 1.00 0.00 C ATOM 0 H ILE A 25 -5.841 -2.911 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.314 -3.452 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.039 -1.249 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.083 -3.561 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.941 -2.330 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.718 -0.635 -1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.462 -0.324 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.725 -1.734 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.649 -4.387 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.186 -3.045 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.345 -4.296 -1.163 1.00 0.00 H new ATOM 377 N GLY A 26 -8.067 -0.943 -2.809 1.00 0.00 N ATOM 378 CA GLY A 26 -9.243 -0.126 -2.558 1.00 0.00 C ATOM 379 C GLY A 26 -10.481 -0.927 -2.139 1.00 0.00 C ATOM 380 O GLY A 26 -11.451 -0.327 -1.683 1.00 0.00 O ATOM 0 H GLY A 26 -7.716 -0.854 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.010 0.598 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.478 0.441 -3.459 1.00 0.00 H new ATOM 384 N LYS A 27 -10.481 -2.260 -2.277 1.00 0.00 N ATOM 385 CA LYS A 27 -11.552 -3.097 -1.760 1.00 0.00 C ATOM 386 C LYS A 27 -11.257 -3.484 -0.310 1.00 0.00 C ATOM 387 O LYS A 27 -12.174 -3.893 0.399 1.00 0.00 O ATOM 388 CB LYS A 27 -11.754 -4.334 -2.650 1.00 0.00 C ATOM 389 CG LYS A 27 -12.965 -4.186 -3.579 1.00 0.00 C ATOM 390 CD LYS A 27 -14.277 -4.493 -2.836 1.00 0.00 C ATOM 391 CE LYS A 27 -15.491 -4.573 -3.773 1.00 0.00 C ATOM 392 NZ LYS A 27 -15.418 -5.718 -4.706 1.00 0.00 N ATOM 0 H LYS A 27 -9.740 -2.778 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.485 -2.533 -1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.858 -4.500 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.886 -5.215 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.999 -3.172 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.859 -4.860 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.174 -5.438 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.453 -3.721 -2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.400 -4.653 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.565 -3.648 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.329 -5.826 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.667 -5.548 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.206 -6.586 -4.174 1.00 0.00 H new ATOM 406 N LEU A 28 -9.997 -3.409 0.139 1.00 0.00 N ATOM 407 CA LEU A 28 -9.632 -3.904 1.436 1.00 0.00 C ATOM 408 C LEU A 28 -10.229 -3.068 2.558 1.00 0.00 C ATOM 409 O LEU A 28 -10.093 -1.845 2.622 1.00 0.00 O ATOM 410 CB LEU A 28 -8.123 -3.952 1.605 1.00 0.00 C ATOM 411 CG LEU A 28 -7.361 -5.017 0.804 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.903 -6.070 1.810 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.156 -5.753 -0.267 1.00 0.00 C ATOM 0 H LEU A 28 -9.225 -3.006 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.038 -4.914 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.722 -2.975 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.906 -4.105 2.662 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.568 -4.488 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.353 -6.855 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.256 -5.605 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.772 -6.503 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.512 -6.479 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.997 -6.270 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.529 -5.037 -1.000 1.00 0.00 H new ATOM 425 N GLN A 29 -10.818 -3.796 3.496 1.00 0.00 N ATOM 426 CA GLN A 29 -11.304 -3.303 4.765 1.00 0.00 C ATOM 427 C GLN A 29 -10.223 -2.477 5.471 1.00 0.00 C ATOM 428 O GLN A 29 -9.242 -3.026 5.965 1.00 0.00 O ATOM 429 CB GLN A 29 -11.828 -4.491 5.585 1.00 0.00 C ATOM 430 CG GLN A 29 -10.705 -5.483 5.916 1.00 0.00 C ATOM 431 CD GLN A 29 -11.173 -6.930 6.029 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.942 -7.409 5.202 1.00 0.00 O ATOM 433 NE2 GLN A 29 -10.687 -7.654 7.032 1.00 0.00 N ATOM 0 H GLN A 29 -10.975 -4.797 3.381 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.139 -2.616 4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.278 -4.127 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.613 -5.001 5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.938 -5.419 5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.238 -5.188 6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.049 -7.229 7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.952 -8.634 7.129 1.00 0.00 H new ATOM 442 N GLY A 30 -10.401 -1.155 5.508 1.00 0.00 N ATOM 443 CA GLY A 30 -9.522 -0.244 6.222 1.00 0.00 C ATOM 444 C GLY A 30 -8.914 0.806 5.313 1.00 0.00 C ATOM 445 O GLY A 30 -8.589 1.887 5.791 1.00 0.00 O ATOM 0 H GLY A 30 -11.173 -0.686 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.082 0.248 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.724 -0.813 6.699 1.00 0.00 H new ATOM 449 N VAL A 31 -8.752 0.511 4.022 1.00 0.00 N ATOM 450 CA VAL A 31 -8.202 1.463 3.084 1.00 0.00 C ATOM 451 C VAL A 31 -9.329 2.399 2.653 1.00 0.00 C ATOM 452 O VAL A 31 -10.400 1.912 2.294 1.00 0.00 O ATOM 453 CB VAL A 31 -7.621 0.658 1.914 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.456 1.522 0.667 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.269 0.055 2.314 1.00 0.00 C ATOM 0 H VAL A 31 -8.999 -0.389 3.610 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.407 2.076 3.509 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.322 -0.142 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.042 0.919 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.427 1.915 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.781 2.350 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.863 -0.515 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.577 0.855 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.404 -0.605 3.171 1.00 0.00 H new ATOM 465 N GLN A 32 -9.093 3.719 2.647 1.00 0.00 N ATOM 466 CA GLN A 32 -10.010 4.655 1.998 1.00 0.00 C ATOM 467 C GLN A 32 -9.450 5.178 0.673 1.00 0.00 C ATOM 468 O GLN A 32 -10.208 5.305 -0.286 1.00 0.00 O ATOM 469 CB GLN A 32 -10.491 5.774 2.932 1.00 0.00 C ATOM 470 CG GLN A 32 -9.386 6.698 3.445 1.00 0.00 C ATOM 471 CD GLN A 32 -9.900 8.024 4.009 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.082 8.347 3.946 1.00 0.00 O ATOM 473 NE2 GLN A 32 -8.983 8.870 4.476 1.00 0.00 N ATOM 0 H GLN A 32 -8.280 4.156 3.082 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.907 4.087 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -11.232 6.375 2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.995 5.323 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.822 6.179 4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.692 6.905 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.004 8.587 4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.260 9.801 4.787 1.00 0.00 H new ATOM 482 N ARG A 33 -8.153 5.516 0.599 1.00 0.00 N ATOM 483 CA ARG A 33 -7.556 6.117 -0.589 1.00 0.00 C ATOM 484 C ARG A 33 -6.200 5.471 -0.877 1.00 0.00 C ATOM 485 O ARG A 33 -5.600 4.850 0.002 1.00 0.00 O ATOM 486 CB ARG A 33 -7.420 7.644 -0.399 1.00 0.00 C ATOM 487 CG ARG A 33 -8.068 8.439 -1.540 1.00 0.00 C ATOM 488 CD ARG A 33 -9.584 8.566 -1.327 1.00 0.00 C ATOM 489 NE ARG A 33 -10.313 8.753 -2.593 1.00 0.00 N ATOM 490 CZ ARG A 33 -10.352 9.877 -3.326 1.00 0.00 C ATOM 491 NH1 ARG A 33 -9.721 10.974 -2.896 1.00 0.00 N ATOM 492 NH2 ARG A 33 -11.016 9.895 -4.487 1.00 0.00 N ATOM 0 H ARG A 33 -7.494 5.377 1.365 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.204 5.940 -1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.880 7.931 0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.364 7.906 -0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.620 9.431 -1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.870 7.945 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.954 7.672 -0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.786 9.409 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.838 7.953 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.211 10.956 -2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.749 11.829 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.492 9.055 -4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.046 10.749 -5.044 1.00 0.00 H new ATOM 506 N ILE A 34 -5.719 5.639 -2.112 1.00 0.00 N ATOM 507 CA ILE A 34 -4.485 5.039 -2.591 1.00 0.00 C ATOM 508 C ILE A 34 -3.859 5.887 -3.705 1.00 0.00 C ATOM 509 O ILE A 34 -4.589 6.549 -4.443 1.00 0.00 O ATOM 510 CB ILE A 34 -4.760 3.584 -3.014 1.00 0.00 C ATOM 511 CG1 ILE A 34 -3.443 2.890 -3.378 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.768 3.458 -4.175 1.00 0.00 C ATOM 513 CD1 ILE A 34 -3.493 1.420 -2.978 1.00 0.00 C ATOM 0 H ILE A 34 -6.190 6.208 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.746 5.014 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.221 3.093 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.262 2.977 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.612 3.383 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.912 2.405 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.721 3.896 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.384 3.983 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.551 0.939 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.652 1.341 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.312 0.928 -3.503 1.00 0.00 H new ATOM 525 N LYS A 35 -2.521 5.905 -3.778 1.00 0.00 N ATOM 526 CA LYS A 35 -1.717 6.447 -4.868 1.00 0.00 C ATOM 527 C LYS A 35 -0.461 5.572 -5.036 1.00 0.00 C ATOM 528 O LYS A 35 0.477 5.695 -4.247 1.00 0.00 O ATOM 529 CB LYS A 35 -1.299 7.896 -4.554 1.00 0.00 C ATOM 530 CG LYS A 35 -2.405 8.948 -4.736 1.00 0.00 C ATOM 531 CD LYS A 35 -3.043 9.390 -3.411 1.00 0.00 C ATOM 532 CE LYS A 35 -3.912 10.635 -3.650 1.00 0.00 C ATOM 533 NZ LYS A 35 -4.497 11.158 -2.399 1.00 0.00 N ATOM 0 H LYS A 35 -1.943 5.518 -3.032 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.302 6.446 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.943 7.940 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.458 8.162 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.989 9.820 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.179 8.543 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.650 8.583 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.267 9.610 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.309 11.412 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.712 10.388 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.074 11.997 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.095 10.427 -1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.734 11.419 -1.742 1.00 0.00 H new ATOM 547 N VAL A 36 -0.420 4.687 -6.038 1.00 0.00 N ATOM 548 CA VAL A 36 0.731 3.828 -6.335 1.00 0.00 C ATOM 549 C VAL A 36 1.553 4.427 -7.482 1.00 0.00 C ATOM 550 O VAL A 36 1.219 4.238 -8.651 1.00 0.00 O ATOM 551 CB VAL A 36 0.251 2.402 -6.675 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.385 1.470 -7.131 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.417 1.742 -5.463 1.00 0.00 C ATOM 0 H VAL A 36 -1.202 4.545 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 36 1.373 3.768 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.454 2.531 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.978 0.484 -7.354 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.855 1.879 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.127 1.385 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.746 0.738 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.297 1.683 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.278 2.335 -5.154 1.00 0.00 H new ATOM 563 N SER A 37 2.662 5.106 -7.175 1.00 0.00 N ATOM 564 CA SER A 37 3.534 5.698 -8.149 1.00 0.00 C ATOM 565 C SER A 37 4.596 4.682 -8.572 1.00 0.00 C ATOM 566 O SER A 37 5.745 4.762 -8.136 1.00 0.00 O ATOM 567 CB SER A 37 4.134 6.913 -7.459 1.00 0.00 C ATOM 568 OG SER A 37 3.117 7.820 -7.075 1.00 0.00 O ATOM 0 H SER A 37 2.971 5.253 -6.214 1.00 0.00 H new ATOM 0 HA SER A 37 3.020 5.995 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.698 6.598 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.837 7.408 -8.129 1.00 0.00 H new ATOM 0 HG SER A 37 3.520 8.595 -6.631 1.00 0.00 H new ATOM 574 N LEU A 38 4.222 3.729 -9.432 1.00 0.00 N ATOM 575 CA LEU A 38 5.130 2.726 -9.967 1.00 0.00 C ATOM 576 C LEU A 38 6.357 3.400 -10.600 1.00 0.00 C ATOM 577 O LEU A 38 7.471 2.913 -10.439 1.00 0.00 O ATOM 578 CB LEU A 38 4.340 1.820 -10.922 1.00 0.00 C ATOM 579 CG LEU A 38 5.189 0.850 -11.742 1.00 0.00 C ATOM 580 CD1 LEU A 38 6.140 -0.002 -10.899 1.00 0.00 C ATOM 581 CD2 LEU A 38 4.270 -0.113 -12.499 1.00 0.00 C ATOM 0 H LEU A 38 3.266 3.637 -9.777 1.00 0.00 H new ATOM 0 HA LEU A 38 5.532 2.090 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.619 1.246 -10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.770 2.448 -11.606 1.00 0.00 H new ATOM 0 HG LEU A 38 5.789 1.469 -12.409 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.709 -0.665 -11.551 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.826 0.648 -10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.564 -0.596 -10.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.873 -0.806 -13.085 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.663 -0.672 -11.787 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.619 0.453 -13.165 1.00 0.00 H new ATOM 593 N ASP A 39 6.177 4.567 -11.223 1.00 0.00 N ATOM 594 CA ASP A 39 7.243 5.474 -11.645 1.00 0.00 C ATOM 595 C ASP A 39 8.362 5.531 -10.614 1.00 0.00 C ATOM 596 O ASP A 39 9.541 5.379 -10.927 1.00 0.00 O ATOM 597 CB ASP A 39 6.695 6.906 -11.761 1.00 0.00 C ATOM 598 CG ASP A 39 5.371 6.986 -12.509 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.411 6.371 -11.986 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.348 7.634 -13.575 1.00 0.00 O ATOM 0 H ASP A 39 5.248 4.918 -11.456 1.00 0.00 H new ATOM 0 HA ASP A 39 7.618 5.101 -12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.565 7.320 -10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.430 7.529 -12.270 1.00 0.00 H new ATOM 605 N ASN A 40 7.962 5.796 -9.367 1.00 0.00 N ATOM 606 CA ASN A 40 8.867 6.036 -8.264 1.00 0.00 C ATOM 607 C ASN A 40 9.291 4.719 -7.601 1.00 0.00 C ATOM 608 O ASN A 40 10.110 4.730 -6.681 1.00 0.00 O ATOM 609 CB ASN A 40 8.218 6.967 -7.223 1.00 0.00 C ATOM 610 CG ASN A 40 9.041 8.234 -7.024 1.00 0.00 C ATOM 611 OD1 ASN A 40 8.692 9.298 -7.524 1.00 0.00 O ATOM 612 ND2 ASN A 40 10.143 8.137 -6.286 1.00 0.00 N ATOM 0 H ASN A 40 6.979 5.848 -9.102 1.00 0.00 H new ATOM 0 HA ASN A 40 9.758 6.521 -8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.211 7.232 -7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.120 6.442 -6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.722 8.961 -6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.409 7.239 -5.882 1.00 0.00 H new ATOM 619 N GLN A 41 8.677 3.600 -8.014 1.00 0.00 N ATOM 620 CA GLN A 41 8.807 2.259 -7.437 1.00 0.00 C ATOM 621 C GLN A 41 8.289 2.220 -6.002 1.00 0.00 C ATOM 622 O GLN A 41 8.582 1.310 -5.227 1.00 0.00 O ATOM 623 CB GLN A 41 10.244 1.752 -7.584 1.00 0.00 C ATOM 624 CG GLN A 41 10.663 2.003 -9.027 1.00 0.00 C ATOM 625 CD GLN A 41 12.003 1.363 -9.366 1.00 0.00 C ATOM 626 OE1 GLN A 41 12.063 0.305 -9.980 1.00 0.00 O ATOM 627 NE2 GLN A 41 13.100 2.008 -8.973 1.00 0.00 N ATOM 0 H GLN A 41 8.038 3.611 -8.809 1.00 0.00 H new ATOM 0 HA GLN A 41 8.175 1.568 -7.995 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.908 2.272 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.304 0.690 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.898 1.612 -9.697 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.722 3.077 -9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.019 2.888 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.021 1.622 -9.182 1.00 0.00 H new ATOM 636 N GLU A 42 7.513 3.243 -5.658 1.00 0.00 N ATOM 637 CA GLU A 42 7.071 3.530 -4.303 1.00 0.00 C ATOM 638 C GLU A 42 5.612 3.981 -4.308 1.00 0.00 C ATOM 639 O GLU A 42 5.156 4.615 -5.255 1.00 0.00 O ATOM 640 CB GLU A 42 8.034 4.539 -3.642 1.00 0.00 C ATOM 641 CG GLU A 42 8.975 3.756 -2.717 1.00 0.00 C ATOM 642 CD GLU A 42 9.956 4.580 -1.910 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.501 5.279 -0.979 1.00 0.00 O ATOM 644 OE2 GLU A 42 11.176 4.361 -2.094 1.00 0.00 O ATOM 0 H GLU A 42 7.164 3.916 -6.340 1.00 0.00 H new ATOM 0 HA GLU A 42 7.104 2.627 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.604 5.076 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.476 5.285 -3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.368 3.172 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.540 3.047 -3.323 1.00 0.00 H new ATOM 651 N ALA A 43 4.872 3.609 -3.260 1.00 0.00 N ATOM 652 CA ALA A 43 3.422 3.717 -3.225 1.00 0.00 C ATOM 653 C ALA A 43 2.952 4.252 -1.880 1.00 0.00 C ATOM 654 O ALA A 43 3.584 3.994 -0.854 1.00 0.00 O ATOM 655 CB ALA A 43 2.820 2.341 -3.485 1.00 0.00 C ATOM 0 H ALA A 43 5.273 3.221 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 43 3.094 4.416 -3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.732 2.409 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.140 1.983 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.157 1.645 -2.716 1.00 0.00 H new ATOM 661 N THR A 44 1.849 4.999 -1.902 1.00 0.00 N ATOM 662 CA THR A 44 1.358 5.815 -0.822 1.00 0.00 C ATOM 663 C THR A 44 -0.113 5.471 -0.635 1.00 0.00 C ATOM 664 O THR A 44 -0.919 5.764 -1.517 1.00 0.00 O ATOM 665 CB THR A 44 1.582 7.280 -1.216 1.00 0.00 C ATOM 666 OG1 THR A 44 2.971 7.548 -1.184 1.00 0.00 O ATOM 667 CG2 THR A 44 0.876 8.249 -0.270 1.00 0.00 C ATOM 0 H THR A 44 1.249 5.045 -2.726 1.00 0.00 H new ATOM 0 HA THR A 44 1.871 5.641 0.124 1.00 0.00 H new ATOM 0 HB THR A 44 1.168 7.426 -2.214 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.130 8.482 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.065 9.273 -0.591 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.197 8.056 -0.285 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.255 8.110 0.742 1.00 0.00 H new ATOM 675 N ILE A 45 -0.465 4.819 0.477 1.00 0.00 N ATOM 676 CA ILE A 45 -1.836 4.401 0.734 1.00 0.00 C ATOM 677 C ILE A 45 -2.334 5.104 2.000 1.00 0.00 C ATOM 678 O ILE A 45 -1.533 5.757 2.668 1.00 0.00 O ATOM 679 CB ILE A 45 -1.871 2.872 0.827 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.083 2.228 -0.330 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.314 2.344 0.829 1.00 0.00 C ATOM 682 CD1 ILE A 45 0.329 1.809 0.069 1.00 0.00 C ATOM 0 H ILE A 45 0.192 4.570 1.217 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.510 4.687 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.400 2.597 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.627 1.355 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.026 2.933 -1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.303 1.256 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.851 2.755 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.813 2.646 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.832 1.362 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.888 2.684 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.277 1.081 0.879 1.00 0.00 H new ATOM 694 N VAL A 46 -3.627 5.005 2.334 1.00 0.00 N ATOM 695 CA VAL A 46 -4.188 5.651 3.511 1.00 0.00 C ATOM 696 C VAL A 46 -5.226 4.725 4.162 1.00 0.00 C ATOM 697 O VAL A 46 -6.155 4.272 3.486 1.00 0.00 O ATOM 698 CB VAL A 46 -4.663 7.072 3.163 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.089 7.086 2.693 1.00 0.00 C ATOM 700 CG2 VAL A 46 -4.599 8.007 4.364 1.00 0.00 C ATOM 0 H VAL A 46 -4.307 4.473 1.791 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.433 5.806 4.281 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.990 7.410 2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.385 8.108 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.184 6.466 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.735 6.693 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.944 8.999 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.236 7.621 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.571 8.071 4.721 1.00 0.00 H new ATOM 710 N TYR A 47 -5.038 4.409 5.450 1.00 0.00 N ATOM 711 CA TYR A 47 -5.866 3.452 6.181 1.00 0.00 C ATOM 712 C TYR A 47 -5.816 3.731 7.685 1.00 0.00 C ATOM 713 O TYR A 47 -5.054 4.600 8.107 1.00 0.00 O ATOM 714 CB TYR A 47 -5.390 2.024 5.893 1.00 0.00 C ATOM 715 CG TYR A 47 -4.028 1.712 6.474 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.904 1.302 7.814 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.876 1.879 5.696 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.638 1.060 8.360 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.649 1.399 6.174 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.525 0.989 7.512 1.00 0.00 C ATOM 721 OH TYR A 47 -0.367 0.429 7.958 1.00 0.00 O ATOM 0 H TYR A 47 -4.296 4.818 6.017 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.898 3.559 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.118 1.319 6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.360 1.870 4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.787 1.174 8.422 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.932 2.373 4.737 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.520 0.929 9.426 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.797 1.344 5.512 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.291 -0.485 7.612 1.00 0.00 H new ATOM 731 N GLN A 48 -6.579 2.979 8.495 1.00 0.00 N ATOM 732 CA GLN A 48 -6.561 3.063 9.944 1.00 0.00 C ATOM 733 C GLN A 48 -6.251 1.707 10.606 1.00 0.00 C ATOM 734 O GLN A 48 -6.757 0.674 10.155 1.00 0.00 O ATOM 735 CB GLN A 48 -7.900 3.688 10.383 1.00 0.00 C ATOM 736 CG GLN A 48 -8.552 2.979 11.561 1.00 0.00 C ATOM 737 CD GLN A 48 -9.733 3.745 12.148 1.00 0.00 C ATOM 738 OE1 GLN A 48 -10.441 4.461 11.448 1.00 0.00 O ATOM 739 NE2 GLN A 48 -9.964 3.598 13.450 1.00 0.00 N ATOM 0 H GLN A 48 -7.236 2.284 8.142 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.746 3.702 10.284 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.734 4.732 10.647 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.589 3.678 9.538 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.890 1.993 11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.806 2.823 12.340 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.360 2.996 14.010 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.745 4.087 13.888 1.00 0.00 H new ATOM 748 N PRO A 49 -5.457 1.702 11.698 1.00 0.00 N ATOM 749 CA PRO A 49 -5.129 0.508 12.465 1.00 0.00 C ATOM 750 C PRO A 49 -6.359 0.041 13.246 1.00 0.00 C ATOM 751 O PRO A 49 -6.510 0.329 14.431 1.00 0.00 O ATOM 752 CB PRO A 49 -3.989 0.923 13.404 1.00 0.00 C ATOM 753 CG PRO A 49 -4.264 2.404 13.651 1.00 0.00 C ATOM 754 CD PRO A 49 -4.853 2.877 12.320 1.00 0.00 C ATOM 0 HA PRO A 49 -4.825 -0.326 11.832 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.002 0.351 14.332 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.012 0.765 12.946 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.962 2.552 14.475 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.353 2.946 13.903 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.597 3.658 12.480 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.078 3.300 11.681 1.00 0.00 H new ATOM 762 N HIS A 50 -7.256 -0.672 12.568 1.00 0.00 N ATOM 763 CA HIS A 50 -8.458 -1.234 13.170 1.00 0.00 C ATOM 764 C HIS A 50 -9.070 -2.259 12.223 1.00 0.00 C ATOM 765 O HIS A 50 -9.374 -3.372 12.644 1.00 0.00 O ATOM 766 CB HIS A 50 -9.442 -0.112 13.547 1.00 0.00 C ATOM 767 CG HIS A 50 -10.902 -0.496 13.574 1.00 0.00 C ATOM 768 ND1 HIS A 50 -11.432 -1.689 14.012 1.00 0.00 N ATOM 769 CD2 HIS A 50 -11.930 0.249 13.059 1.00 0.00 C ATOM 770 CE1 HIS A 50 -12.753 -1.658 13.765 1.00 0.00 C ATOM 771 NE2 HIS A 50 -13.103 -0.498 13.186 1.00 0.00 N ATOM 0 H HIS A 50 -7.165 -0.877 11.573 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.205 -1.752 14.095 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.168 0.269 14.531 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.315 0.708 12.841 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.848 1.237 12.631 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.440 -2.458 14.000 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.040 -0.218 12.896 1.00 0.00 H new ATOM 779 N LEU A 51 -9.282 -1.880 10.960 1.00 0.00 N ATOM 780 CA LEU A 51 -9.876 -2.774 9.981 1.00 0.00 C ATOM 781 C LEU A 51 -8.781 -3.620 9.333 1.00 0.00 C ATOM 782 O LEU A 51 -9.012 -4.793 9.040 1.00 0.00 O ATOM 783 CB LEU A 51 -10.640 -1.964 8.935 1.00 0.00 C ATOM 784 CG LEU A 51 -11.964 -1.399 9.465 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.431 -0.238 8.581 1.00 0.00 C ATOM 786 CD2 LEU A 51 -13.063 -2.470 9.502 1.00 0.00 C ATOM 0 H LEU A 51 -9.048 -0.956 10.597 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.583 -3.443 10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.012 -1.142 8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.841 -2.596 8.070 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.786 -1.050 10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.372 0.156 8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.678 0.550 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.576 -0.593 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.985 -2.032 9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.232 -2.853 8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.753 -3.287 10.154 1.00 0.00 H new ATOM 798 N ILE A 52 -7.598 -3.031 9.109 1.00 0.00 N ATOM 799 CA ILE A 52 -6.469 -3.705 8.507 1.00 0.00 C ATOM 800 C ILE A 52 -5.411 -3.914 9.575 1.00 0.00 C ATOM 801 O ILE A 52 -5.265 -3.084 10.472 1.00 0.00 O ATOM 802 CB ILE A 52 -5.992 -2.904 7.295 1.00 0.00 C ATOM 803 CG1 ILE A 52 -5.033 -3.687 6.388 1.00 0.00 C ATOM 804 CG2 ILE A 52 -5.322 -1.612 7.724 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.637 -5.006 5.909 1.00 0.00 C ATOM 0 H ILE A 52 -7.409 -2.058 9.349 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.733 -4.692 8.128 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.891 -2.687 6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.771 -3.075 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.108 -3.888 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.993 -1.063 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.031 -1.004 8.287 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.461 -1.840 8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.921 -5.524 5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.874 -5.631 6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.548 -4.805 5.344 1.00 0.00 H new ATOM 817 N SER A 53 -4.625 -4.982 9.460 1.00 0.00 N ATOM 818 CA SER A 53 -3.659 -5.361 10.471 1.00 0.00 C ATOM 819 C SER A 53 -2.330 -4.654 10.269 1.00 0.00 C ATOM 820 O SER A 53 -1.274 -5.224 10.525 1.00 0.00 O ATOM 821 CB SER A 53 -3.478 -6.864 10.448 1.00 0.00 C ATOM 822 OG SER A 53 -4.738 -7.514 10.429 1.00 0.00 O ATOM 0 H SER A 53 -4.646 -5.608 8.655 1.00 0.00 H new ATOM 0 HA SER A 53 -4.037 -5.055 11.446 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.899 -7.153 9.571 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.911 -7.182 11.323 1.00 0.00 H new ATOM 0 HG SER A 53 -4.605 -8.485 10.413 1.00 0.00 H new ATOM 828 N VAL A 54 -2.417 -3.428 9.761 1.00 0.00 N ATOM 829 CA VAL A 54 -1.369 -2.474 9.445 1.00 0.00 C ATOM 830 C VAL A 54 -0.518 -2.942 8.266 1.00 0.00 C ATOM 831 O VAL A 54 -0.368 -2.237 7.265 1.00 0.00 O ATOM 832 CB VAL A 54 -0.578 -2.136 10.724 1.00 0.00 C ATOM 833 CG1 VAL A 54 0.923 -1.965 10.484 1.00 0.00 C ATOM 834 CG2 VAL A 54 -1.156 -0.853 11.310 1.00 0.00 C ATOM 0 H VAL A 54 -3.333 -3.039 9.537 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.807 -1.538 9.098 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.680 -2.975 11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.417 -1.729 11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.335 -2.890 10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.088 -1.154 9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.613 -0.591 12.218 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.060 -0.046 10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.209 -1.004 11.548 1.00 0.00 H new ATOM 844 N GLU A 55 0.040 -4.135 8.423 1.00 0.00 N ATOM 845 CA GLU A 55 1.029 -4.746 7.570 1.00 0.00 C ATOM 846 C GLU A 55 0.369 -5.683 6.566 1.00 0.00 C ATOM 847 O GLU A 55 0.918 -5.880 5.480 1.00 0.00 O ATOM 848 CB GLU A 55 2.014 -5.475 8.471 1.00 0.00 C ATOM 849 CG GLU A 55 3.347 -5.741 7.751 1.00 0.00 C ATOM 850 CD GLU A 55 4.489 -6.100 8.693 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.634 -5.393 9.711 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.225 -7.049 8.342 1.00 0.00 O ATOM 0 H GLU A 55 -0.210 -4.737 9.208 1.00 0.00 H new ATOM 0 HA GLU A 55 1.557 -3.995 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.196 -4.882 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.580 -6.421 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.208 -6.552 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.624 -4.856 7.179 1.00 0.00 H new ATOM 859 N GLU A 56 -0.808 -6.237 6.916 1.00 0.00 N ATOM 860 CA GLU A 56 -1.570 -7.111 6.028 1.00 0.00 C ATOM 861 C GLU A 56 -1.592 -6.552 4.609 1.00 0.00 C ATOM 862 O GLU A 56 -1.301 -7.258 3.647 1.00 0.00 O ATOM 863 CB GLU A 56 -3.009 -7.269 6.541 1.00 0.00 C ATOM 864 CG GLU A 56 -3.203 -8.585 7.298 1.00 0.00 C ATOM 865 CD GLU A 56 -3.110 -9.778 6.354 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.029 -9.903 5.517 1.00 0.00 O ATOM 867 OE2 GLU A 56 -2.113 -10.521 6.474 1.00 0.00 O ATOM 0 H GLU A 56 -1.250 -6.086 7.823 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.084 -8.086 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.255 -6.433 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.701 -7.228 5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.447 -8.675 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.174 -8.584 7.793 1.00 0.00 H new ATOM 874 N MET A 57 -1.910 -5.259 4.495 1.00 0.00 N ATOM 875 CA MET A 57 -1.961 -4.567 3.235 1.00 0.00 C ATOM 876 C MET A 57 -0.711 -4.859 2.387 1.00 0.00 C ATOM 877 O MET A 57 -0.795 -5.449 1.311 1.00 0.00 O ATOM 878 CB MET A 57 -2.117 -3.080 3.574 1.00 0.00 C ATOM 879 CG MET A 57 -3.082 -2.381 2.631 1.00 0.00 C ATOM 880 SD MET A 57 -2.310 -1.038 1.724 1.00 0.00 S ATOM 881 CE MET A 57 -2.125 0.049 3.145 1.00 0.00 C ATOM 0 H MET A 57 -2.140 -4.669 5.295 1.00 0.00 H new ATOM 0 HA MET A 57 -2.798 -4.902 2.623 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.473 -2.977 4.599 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.143 -2.592 3.524 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.484 -3.107 1.925 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.925 -1.991 3.202 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.239 0.671 3.015 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.005 0.686 3.233 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.018 -0.550 4.050 1.00 0.00 H new ATOM 891 N LYS A 58 0.461 -4.486 2.901 1.00 0.00 N ATOM 892 CA LYS A 58 1.741 -4.663 2.233 1.00 0.00 C ATOM 893 C LYS A 58 2.002 -6.145 1.966 1.00 0.00 C ATOM 894 O LYS A 58 2.432 -6.528 0.879 1.00 0.00 O ATOM 895 CB LYS A 58 2.828 -4.063 3.135 1.00 0.00 C ATOM 896 CG LYS A 58 4.213 -3.967 2.480 1.00 0.00 C ATOM 897 CD LYS A 58 5.295 -4.307 3.513 1.00 0.00 C ATOM 898 CE LYS A 58 5.500 -5.811 3.669 1.00 0.00 C ATOM 899 NZ LYS A 58 6.851 -6.295 3.310 1.00 0.00 N ATOM 0 H LYS A 58 0.544 -4.042 3.816 1.00 0.00 H new ATOM 0 HA LYS A 58 1.742 -4.157 1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.516 -3.066 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.908 -4.667 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.275 -4.652 1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.373 -2.962 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.236 -3.844 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.020 -3.879 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.294 -6.086 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.768 -6.329 3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.948 -7.292 3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.990 -6.207 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.567 -5.726 3.806 1.00 0.00 H new ATOM 913 N LYS A 59 1.757 -6.986 2.969 1.00 0.00 N ATOM 914 CA LYS A 59 1.886 -8.424 2.834 1.00 0.00 C ATOM 915 C LYS A 59 1.021 -8.993 1.721 1.00 0.00 C ATOM 916 O LYS A 59 1.422 -9.991 1.124 1.00 0.00 O ATOM 917 CB LYS A 59 1.626 -9.095 4.182 1.00 0.00 C ATOM 918 CG LYS A 59 2.932 -9.432 4.905 1.00 0.00 C ATOM 919 CD LYS A 59 3.996 -8.320 4.870 1.00 0.00 C ATOM 920 CE LYS A 59 5.100 -8.640 5.888 1.00 0.00 C ATOM 921 NZ LYS A 59 5.961 -9.749 5.436 1.00 0.00 N ATOM 0 H LYS A 59 1.463 -6.683 3.897 1.00 0.00 H new ATOM 0 HA LYS A 59 2.910 -8.644 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.023 -8.436 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.048 -10.007 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.705 -9.665 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.354 -10.333 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.421 -8.239 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.540 -7.357 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.709 -7.752 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.647 -8.899 6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.780 -9.834 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.419 -10.637 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.292 -9.559 4.469 1.00 0.00 H new ATOM 935 N GLN A 60 -0.109 -8.370 1.373 1.00 0.00 N ATOM 936 CA GLN A 60 -0.876 -8.852 0.251 1.00 0.00 C ATOM 937 C GLN A 60 -0.020 -8.657 -0.997 1.00 0.00 C ATOM 938 O GLN A 60 0.135 -9.583 -1.787 1.00 0.00 O ATOM 939 CB GLN A 60 -2.275 -8.209 0.213 1.00 0.00 C ATOM 940 CG GLN A 60 -2.518 -7.405 -1.064 1.00 0.00 C ATOM 941 CD GLN A 60 -3.961 -6.958 -1.228 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.683 -6.787 -0.258 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.399 -6.740 -2.464 1.00 0.00 N ATOM 0 H GLN A 60 -0.495 -7.553 1.846 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.099 -9.916 0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.032 -8.989 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.394 -7.556 1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.871 -6.528 -1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.232 -8.009 -1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.778 -6.890 -3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.356 -6.423 -2.617 1.00 0.00 H new ATOM 952 N ILE A 61 0.558 -7.461 -1.153 1.00 0.00 N ATOM 953 CA ILE A 61 1.426 -7.169 -2.284 1.00 0.00 C ATOM 954 C ILE A 61 2.579 -8.183 -2.324 1.00 0.00 C ATOM 955 O ILE A 61 2.853 -8.719 -3.395 1.00 0.00 O ATOM 956 CB ILE A 61 1.883 -5.699 -2.342 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.746 -4.733 -2.733 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.929 -5.514 -3.452 1.00 0.00 C ATOM 959 CD1 ILE A 61 0.067 -4.105 -1.528 1.00 0.00 C ATOM 0 H ILE A 61 0.436 -6.682 -0.505 1.00 0.00 H new ATOM 0 HA ILE A 61 0.847 -7.289 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 61 2.259 -5.478 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.148 -3.945 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.004 -5.272 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.245 -4.471 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.792 -6.148 -3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.494 -5.791 -4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.724 -3.435 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.362 -4.888 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.799 -3.541 -0.951 1.00 0.00 H new ATOM 971 N GLU A 62 3.220 -8.483 -1.182 1.00 0.00 N ATOM 972 CA GLU A 62 4.267 -9.506 -1.151 1.00 0.00 C ATOM 973 C GLU A 62 3.699 -10.812 -1.721 1.00 0.00 C ATOM 974 O GLU A 62 4.250 -11.420 -2.636 1.00 0.00 O ATOM 975 CB GLU A 62 4.793 -9.761 0.270 1.00 0.00 C ATOM 976 CG GLU A 62 5.472 -8.531 0.878 1.00 0.00 C ATOM 977 CD GLU A 62 6.661 -8.927 1.743 1.00 0.00 C ATOM 978 OE1 GLU A 62 7.722 -9.186 1.149 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.525 -8.878 2.992 1.00 0.00 O ATOM 0 H GLU A 62 3.033 -8.037 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 62 5.104 -9.147 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.965 -10.068 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.502 -10.589 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.805 -7.865 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.752 -7.975 1.478 1.00 0.00 H new ATOM 986 N ALA A 63 2.565 -11.222 -1.150 1.00 0.00 N ATOM 987 CA ALA A 63 1.882 -12.473 -1.426 1.00 0.00 C ATOM 988 C ALA A 63 1.417 -12.605 -2.880 1.00 0.00 C ATOM 989 O ALA A 63 1.281 -13.728 -3.360 1.00 0.00 O ATOM 990 CB ALA A 63 0.720 -12.615 -0.445 1.00 0.00 C ATOM 0 H ALA A 63 2.081 -10.659 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 63 2.592 -13.289 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.194 -13.550 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.103 -12.617 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.032 -11.779 -0.572 1.00 0.00 H new ATOM 996 N MET A 64 1.200 -11.496 -3.602 1.00 0.00 N ATOM 997 CA MET A 64 0.989 -11.548 -5.047 1.00 0.00 C ATOM 998 C MET A 64 2.138 -12.310 -5.723 1.00 0.00 C ATOM 999 O MET A 64 1.920 -12.991 -6.723 1.00 0.00 O ATOM 1000 CB MET A 64 0.900 -10.142 -5.662 1.00 0.00 C ATOM 1001 CG MET A 64 -0.205 -9.242 -5.097 1.00 0.00 C ATOM 1002 SD MET A 64 -1.927 -9.754 -5.316 1.00 0.00 S ATOM 1003 CE MET A 64 -2.145 -9.374 -7.067 1.00 0.00 C ATOM 0 H MET A 64 1.167 -10.557 -3.206 1.00 0.00 H new ATOM 0 HA MET A 64 0.043 -12.063 -5.215 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.858 -9.642 -5.522 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.748 -10.244 -6.736 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.026 -9.128 -4.028 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.092 -8.255 -5.546 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.160 -9.630 -7.371 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.974 -8.310 -7.232 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.433 -9.952 -7.656 1.00 0.00 H new ATOM 1013 N GLY A 65 3.358 -12.165 -5.192 1.00 0.00 N ATOM 1014 CA GLY A 65 4.560 -12.809 -5.697 1.00 0.00 C ATOM 1015 C GLY A 65 5.740 -11.840 -5.695 1.00 0.00 C ATOM 1016 O GLY A 65 6.889 -12.259 -5.565 1.00 0.00 O ATOM 0 H GLY A 65 3.533 -11.578 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.797 -13.678 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.385 -13.172 -6.710 1.00 0.00 H new ATOM 1020 N PHE A 66 5.471 -10.543 -5.872 1.00 0.00 N ATOM 1021 CA PHE A 66 6.511 -9.536 -6.027 1.00 0.00 C ATOM 1022 C PHE A 66 6.957 -9.067 -4.644 1.00 0.00 C ATOM 1023 O PHE A 66 6.100 -8.681 -3.854 1.00 0.00 O ATOM 1024 CB PHE A 66 5.968 -8.361 -6.849 1.00 0.00 C ATOM 1025 CG PHE A 66 5.346 -8.780 -8.168 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.040 -9.661 -9.019 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.037 -8.379 -8.498 1.00 0.00 C ATOM 1028 CE1 PHE A 66 5.419 -10.167 -10.170 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.429 -8.859 -9.671 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.116 -9.759 -10.504 1.00 0.00 C ATOM 0 H PHE A 66 4.524 -10.167 -5.911 1.00 0.00 H new ATOM 0 HA PHE A 66 7.368 -9.957 -6.553 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.223 -7.828 -6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.779 -7.660 -7.046 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.054 -9.948 -8.785 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.500 -7.702 -7.850 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.942 -10.871 -10.800 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.432 -8.536 -9.933 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.644 -10.136 -11.399 1.00 0.00 H new ATOM 1040 N PRO A 67 8.261 -9.072 -4.327 1.00 0.00 N ATOM 1041 CA PRO A 67 8.738 -8.665 -3.015 1.00 0.00 C ATOM 1042 C PRO A 67 8.370 -7.201 -2.773 1.00 0.00 C ATOM 1043 O PRO A 67 8.641 -6.356 -3.626 1.00 0.00 O ATOM 1044 CB PRO A 67 10.256 -8.879 -3.055 1.00 0.00 C ATOM 1045 CG PRO A 67 10.598 -8.738 -4.539 1.00 0.00 C ATOM 1046 CD PRO A 67 9.370 -9.329 -5.231 1.00 0.00 C ATOM 0 HA PRO A 67 8.292 -9.235 -2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.781 -8.140 -2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.533 -9.861 -2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.758 -7.697 -4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.507 -9.281 -4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.203 -8.862 -6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.494 -10.397 -5.408 1.00 0.00 H new ATOM 1054 N ALA A 68 7.745 -6.892 -1.631 1.00 0.00 N ATOM 1055 CA ALA A 68 7.355 -5.532 -1.301 1.00 0.00 C ATOM 1056 C ALA A 68 7.736 -5.224 0.137 1.00 0.00 C ATOM 1057 O ALA A 68 8.054 -6.113 0.924 1.00 0.00 O ATOM 1058 CB ALA A 68 5.864 -5.345 -1.566 1.00 0.00 C ATOM 0 H ALA A 68 7.500 -7.579 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 68 7.887 -4.823 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.576 -4.324 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.655 -5.535 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.295 -6.043 -0.952 1.00 0.00 H new ATOM 1064 N PHE A 69 7.719 -3.951 0.509 1.00 0.00 N ATOM 1065 CA PHE A 69 8.420 -3.464 1.688 1.00 0.00 C ATOM 1066 C PHE A 69 7.786 -2.180 2.201 1.00 0.00 C ATOM 1067 O PHE A 69 7.117 -1.497 1.440 1.00 0.00 O ATOM 1068 CB PHE A 69 9.917 -3.298 1.411 1.00 0.00 C ATOM 1069 CG PHE A 69 10.723 -3.300 2.691 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.905 -4.515 3.379 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.102 -2.089 3.298 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.447 -4.518 4.675 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.651 -2.093 4.592 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.823 -3.307 5.281 1.00 0.00 C ATOM 0 H PHE A 69 7.216 -3.225 -0.001 1.00 0.00 H new ATOM 0 HA PHE A 69 8.325 -4.210 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.260 -4.105 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.087 -2.365 0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.627 -5.447 2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.971 -1.156 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.575 -5.450 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.941 -1.163 5.058 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.244 -3.309 6.276 1.00 0.00 H new ATOM 1084 N VAL A 70 7.921 -1.901 3.500 1.00 0.00 N ATOM 1085 CA VAL A 70 7.230 -0.812 4.175 1.00 0.00 C ATOM 1086 C VAL A 70 8.259 0.147 4.761 1.00 0.00 C ATOM 1087 O VAL A 70 9.129 -0.263 5.523 1.00 0.00 O ATOM 1088 CB VAL A 70 6.165 -1.310 5.156 1.00 0.00 C ATOM 1089 CG1 VAL A 70 6.746 -2.329 6.118 1.00 0.00 C ATOM 1090 CG2 VAL A 70 5.489 -0.174 5.926 1.00 0.00 C ATOM 0 H VAL A 70 8.527 -2.439 4.119 1.00 0.00 H new ATOM 0 HA VAL A 70 6.646 -0.241 3.453 1.00 0.00 H new ATOM 0 HB VAL A 70 5.393 -1.790 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.969 -2.666 6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.130 -3.181 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.557 -1.873 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.744 -0.588 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.238 0.374 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.003 0.503 5.223 1.00 0.00 H new