USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 466 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 7 ASN : amide:sc= -0.0471 K(o=-0.047,f=-0.68) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.255 K(o=0.26,f=-0.33) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 175:sc= -0.408 (180deg=-0.433) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 65:sc= 0.309 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot -150:sc= -0.181 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.0018) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 8.410 2.957 -20.481 1.00 25.00 N ATOM 81 CA LEU A 6 9.008 2.702 -21.777 1.00 25.00 C ATOM 82 C LEU A 6 7.943 2.810 -22.849 1.00 25.00 C ATOM 83 O LEU A 6 8.213 3.408 -23.912 1.00 25.00 O ATOM 84 CB LEU A 6 9.629 1.268 -21.835 1.00 25.00 C ATOM 85 CG LEU A 6 10.946 0.986 -21.094 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.305 -0.494 -21.340 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.062 1.887 -21.578 1.00 25.00 C ATOM 0 HA LEU A 6 9.796 3.437 -21.941 1.00 25.00 H new ATOM 0 HB2 LEU A 6 8.882 0.572 -21.452 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.785 1.021 -22.885 1.00 25.00 H new ATOM 0 HG LEU A 6 10.821 1.186 -20.030 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.237 -0.732 -20.828 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.507 -1.130 -20.957 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.424 -0.667 -22.410 1.00 25.00 H new ATOM 0 HD21 LEU A 6 12.977 1.659 -21.031 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.225 1.724 -22.643 1.00 25.00 H new ATOM 0 HD23 LEU A 6 11.788 2.928 -21.408 1.00 25.00 H new ATOM 99 N ASN A 7 6.767 2.308 -22.543 1.00 25.00 N ATOM 100 CA ASN A 7 5.588 2.370 -23.452 1.00 25.00 C ATOM 101 C ASN A 7 5.889 1.670 -24.803 1.00 25.00 C ATOM 102 O ASN A 7 5.474 2.128 -25.839 1.00 25.00 O ATOM 103 CB ASN A 7 5.182 3.833 -23.590 1.00 25.00 C ATOM 104 CG ASN A 7 3.706 3.970 -23.996 1.00 25.00 C ATOM 105 OD1 ASN A 7 2.802 3.265 -23.517 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.452 4.928 -24.838 1.00 25.00 N ATOM 0 H ASN A 7 6.576 1.838 -21.658 1.00 25.00 H new ATOM 0 HA ASN A 7 4.742 1.821 -23.038 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.350 4.349 -22.645 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.812 4.318 -24.335 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.490 5.116 -25.121 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.214 5.491 -25.215 1.00 25.00 H new ATOM 113 N VAL A 8 6.631 0.595 -24.755 1.00 25.00 N ATOM 114 CA VAL A 8 6.955 -0.205 -25.916 1.00 25.00 C ATOM 115 C VAL A 8 6.097 -1.455 -25.818 1.00 25.00 C ATOM 116 O VAL A 8 5.788 -1.865 -24.725 1.00 25.00 O ATOM 117 CB VAL A 8 8.463 -0.568 -25.919 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.803 -1.489 -27.084 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.299 0.724 -26.016 1.00 25.00 C ATOM 0 H VAL A 8 7.038 0.240 -23.890 1.00 25.00 H new ATOM 0 HA VAL A 8 6.758 0.335 -26.842 1.00 25.00 H new ATOM 0 HB VAL A 8 8.695 -1.093 -24.992 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.866 -1.727 -27.061 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.223 -2.409 -27.002 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.563 -0.991 -28.023 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.359 0.472 -26.018 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.049 1.251 -26.937 1.00 25.00 H new ATOM 0 HG23 VAL A 8 9.080 1.364 -25.161 1.00 25.00 H new ATOM 129 N LEU A 9 5.654 -2.022 -26.923 1.00 25.00 N ATOM 130 CA LEU A 9 4.806 -3.225 -26.910 1.00 25.00 C ATOM 131 C LEU A 9 5.294 -4.252 -27.898 1.00 25.00 C ATOM 132 O LEU A 9 6.005 -3.932 -28.856 1.00 25.00 O ATOM 133 CB LEU A 9 3.344 -2.849 -27.188 1.00 25.00 C ATOM 134 CG LEU A 9 3.046 -1.880 -28.348 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.755 -2.418 -29.048 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.850 -0.460 -27.897 1.00 25.00 C ATOM 0 H LEU A 9 5.864 -1.673 -27.858 1.00 25.00 H new ATOM 0 HA LEU A 9 4.867 -3.671 -25.918 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.794 -3.771 -27.376 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.934 -2.413 -26.277 1.00 25.00 H new ATOM 0 HG LEU A 9 3.899 -1.849 -29.026 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.495 -1.767 -29.883 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.935 -3.427 -29.418 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.933 -2.435 -28.332 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.644 0.171 -28.761 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.011 -0.411 -27.203 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.753 -0.109 -27.399 1.00 25.00 H new ATOM 148 N ALA A 10 4.998 -5.522 -27.619 1.00 25.00 N ATOM 149 CA ALA A 10 5.525 -6.640 -28.392 1.00 25.00 C ATOM 150 C ALA A 10 4.433 -7.655 -28.640 1.00 25.00 C ATOM 151 O ALA A 10 3.455 -7.678 -27.919 1.00 25.00 O ATOM 152 CB ALA A 10 6.684 -7.282 -27.604 1.00 25.00 C ATOM 0 H ALA A 10 4.387 -5.801 -26.851 1.00 25.00 H new ATOM 0 HA ALA A 10 5.890 -6.287 -29.356 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.089 -8.121 -28.171 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.468 -6.542 -27.442 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.316 -7.638 -26.642 1.00 25.00 H new ATOM 158 N LYS A 11 4.679 -8.529 -29.632 1.00 25.00 N ATOM 159 CA LYS A 11 3.734 -9.606 -30.011 1.00 25.00 C ATOM 160 C LYS A 11 4.418 -10.889 -29.584 1.00 25.00 C ATOM 161 O LYS A 11 5.633 -11.039 -29.797 1.00 25.00 O ATOM 162 CB LYS A 11 3.509 -9.562 -31.550 1.00 25.00 C ATOM 163 CG LYS A 11 2.530 -10.615 -32.125 1.00 25.00 C ATOM 164 CD LYS A 11 2.233 -10.392 -33.621 1.00 25.00 C ATOM 165 CE LYS A 11 3.407 -10.904 -34.545 1.00 25.00 C ATOM 166 NZ LYS A 11 2.940 -10.887 -35.965 1.00 25.00 N ATOM 0 H LYS A 11 5.531 -8.513 -30.193 1.00 25.00 H new ATOM 0 HA LYS A 11 2.754 -9.511 -29.543 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.141 -8.571 -31.815 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.474 -9.686 -32.042 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.951 -11.611 -31.986 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.596 -10.582 -31.564 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.311 -10.909 -33.888 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.067 -9.330 -33.802 1.00 25.00 H new ATOM 0 HE2 LYS A 11 4.285 -10.268 -34.428 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.703 -11.913 -34.256 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.704 -11.222 -36.586 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 2.113 -11.510 -36.066 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.677 -9.917 -36.232 1.00 25.00 H new ATOM 180 N ALA A 12 3.618 -11.799 -29.063 1.00 25.00 N ATOM 181 CA ALA A 12 4.059 -13.125 -28.650 1.00 25.00 C ATOM 182 C ALA A 12 4.206 -14.054 -29.852 1.00 25.00 C ATOM 183 O ALA A 12 3.325 -14.189 -30.656 1.00 25.00 O ATOM 184 CB ALA A 12 3.041 -13.719 -27.672 1.00 25.00 C ATOM 0 H ALA A 12 2.622 -11.638 -28.910 1.00 25.00 H new ATOM 0 HA ALA A 12 5.031 -13.028 -28.167 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.370 -14.711 -27.362 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.958 -13.075 -26.797 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.069 -13.795 -28.160 1.00 25.00 H new ATOM 190 N LEU A 13 5.397 -14.635 -29.990 1.00 25.00 N ATOM 191 CA LEU A 13 5.708 -15.489 -31.131 1.00 25.00 C ATOM 192 C LEU A 13 5.417 -16.945 -30.794 1.00 25.00 C ATOM 193 O LEU A 13 5.176 -17.769 -31.695 1.00 25.00 O ATOM 194 CB LEU A 13 7.194 -15.372 -31.509 1.00 25.00 C ATOM 195 CG LEU A 13 7.713 -14.053 -32.071 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.275 -14.114 -32.318 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.011 -13.710 -33.405 1.00 25.00 C ATOM 0 H LEU A 13 6.162 -14.528 -29.324 1.00 25.00 H new ATOM 0 HA LEU A 13 5.088 -15.164 -31.967 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.779 -15.603 -30.619 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.409 -16.149 -32.242 1.00 25.00 H new ATOM 0 HG LEU A 13 7.495 -13.280 -31.334 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.618 -13.160 -32.719 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.785 -14.316 -31.376 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.500 -14.908 -33.030 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.397 -12.765 -33.787 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.203 -14.500 -34.131 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.937 -13.622 -33.239 1.00 25.00 H new ATOM 209 N TYR A 14 5.328 -17.249 -29.523 1.00 25.00 N ATOM 210 CA TYR A 14 5.030 -18.600 -29.060 1.00 25.00 C ATOM 211 C TYR A 14 3.999 -18.454 -27.988 1.00 25.00 C ATOM 212 O TYR A 14 3.769 -17.365 -27.505 1.00 25.00 O ATOM 213 CB TYR A 14 6.279 -19.239 -28.468 1.00 25.00 C ATOM 214 CG TYR A 14 7.499 -19.194 -29.372 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.361 -18.108 -29.356 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.783 -20.271 -30.251 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.499 -18.072 -30.168 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.925 -20.193 -31.122 1.00 25.00 C ATOM 219 CZ TYR A 14 9.757 -19.112 -31.045 1.00 25.00 C ATOM 220 OH TYR A 14 10.896 -19.021 -31.799 1.00 25.00 O ATOM 0 H TYR A 14 5.459 -16.572 -28.771 1.00 25.00 H new ATOM 0 HA TYR A 14 4.682 -19.228 -29.880 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.519 -18.737 -27.530 1.00 25.00 H new ATOM 0 HB3 TYR A 14 6.060 -20.279 -28.226 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.149 -17.274 -28.704 1.00 25.00 H new ATOM 0 HD2 TYR A 14 7.146 -21.143 -30.266 1.00 25.00 H new ATOM 0 HE1 TYR A 14 10.177 -17.233 -30.111 1.00 25.00 H new ATOM 0 HE2 TYR A 14 9.123 -20.983 -31.831 1.00 25.00 H new ATOM 0 HH TYR A 14 10.970 -19.810 -32.376 1.00 25.00 H new ATOM 230 N ASP A 15 3.306 -19.544 -27.620 1.00 25.00 N ATOM 231 CA ASP A 15 2.324 -19.446 -26.541 1.00 25.00 C ATOM 232 C ASP A 15 2.968 -19.818 -25.213 1.00 25.00 C ATOM 233 O ASP A 15 4.113 -20.306 -25.172 1.00 25.00 O ATOM 234 CB ASP A 15 1.147 -20.374 -26.820 1.00 25.00 C ATOM 235 CG ASP A 15 1.521 -21.813 -26.787 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.086 -22.505 -25.843 1.00 25.00 O ATOM 237 OD2 ASP A 15 2.146 -22.265 -27.741 1.00 25.00 O ATOM 0 H ASP A 15 3.404 -20.469 -28.039 1.00 25.00 H new ATOM 0 HA ASP A 15 1.964 -18.419 -26.487 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.364 -20.191 -26.084 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.727 -20.136 -27.797 1.00 25.00 H new ATOM 242 N ASN A 16 2.275 -19.558 -24.112 1.00 25.00 N ATOM 243 CA ASN A 16 2.778 -19.863 -22.756 1.00 25.00 C ATOM 244 C ASN A 16 1.675 -20.171 -21.754 1.00 25.00 C ATOM 245 O ASN A 16 0.599 -19.570 -21.772 1.00 25.00 O ATOM 246 CB ASN A 16 3.553 -18.655 -22.225 1.00 25.00 C ATOM 247 CG ASN A 16 4.227 -18.962 -20.951 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.876 -20.000 -20.847 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.099 -18.126 -19.960 1.00 25.00 N ATOM 0 H ASN A 16 1.349 -19.131 -24.121 1.00 25.00 H new ATOM 0 HA ASN A 16 3.403 -20.751 -22.855 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.292 -18.343 -22.963 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.870 -17.817 -22.084 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.545 -18.325 -19.064 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.553 -17.273 -20.080 1.00 25.00 H new ATOM 256 N VAL A 17 1.956 -21.090 -20.839 1.00 25.00 N ATOM 257 CA VAL A 17 1.031 -21.432 -19.760 1.00 25.00 C ATOM 258 C VAL A 17 1.760 -21.038 -18.518 1.00 25.00 C ATOM 259 O VAL A 17 2.653 -21.682 -18.064 1.00 25.00 O ATOM 260 CB VAL A 17 0.739 -22.954 -19.714 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.160 -23.315 -18.522 1.00 25.00 C ATOM 262 CG2 VAL A 17 0.089 -23.435 -21.040 1.00 25.00 C ATOM 0 H VAL A 17 2.828 -21.619 -20.822 1.00 25.00 H new ATOM 0 HA VAL A 17 0.070 -20.934 -19.887 1.00 25.00 H new ATOM 0 HB VAL A 17 1.693 -23.465 -19.588 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.346 -24.389 -18.519 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.335 -23.029 -17.594 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.108 -22.783 -18.607 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.106 -24.506 -20.982 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -0.849 -22.904 -21.199 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.765 -23.234 -21.871 1.00 25.00 H new ATOM 272 N ALA A 18 1.332 -19.918 -17.977 1.00 25.00 N ATOM 273 CA ALA A 18 1.990 -19.423 -16.794 1.00 25.00 C ATOM 274 C ALA A 18 1.662 -20.268 -15.593 1.00 25.00 C ATOM 275 O ALA A 18 0.483 -20.550 -15.307 1.00 25.00 O ATOM 276 CB ALA A 18 1.570 -18.009 -16.584 1.00 25.00 C ATOM 0 H ALA A 18 0.558 -19.351 -18.324 1.00 25.00 H new ATOM 0 HA ALA A 18 3.071 -19.473 -16.928 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.057 -17.613 -15.693 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.857 -17.412 -17.449 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.488 -17.966 -16.456 1.00 25.00 H new ATOM 282 N GLU A 19 2.687 -20.720 -14.904 1.00 25.00 N ATOM 283 CA GLU A 19 2.521 -21.621 -13.736 1.00 25.00 C ATOM 284 C GLU A 19 2.669 -20.816 -12.435 1.00 25.00 C ATOM 285 O GLU A 19 2.228 -21.261 -11.339 1.00 25.00 O ATOM 286 CB GLU A 19 3.533 -22.776 -13.771 1.00 25.00 C ATOM 287 CG GLU A 19 5.038 -22.394 -13.745 1.00 25.00 C ATOM 288 CD GLU A 19 5.943 -23.579 -13.417 1.00 25.00 C ATOM 289 OE1 GLU A 19 6.951 -23.416 -12.690 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.621 -24.715 -13.873 1.00 25.00 O ATOM 0 H GLU A 19 3.657 -20.489 -15.117 1.00 25.00 H new ATOM 0 HA GLU A 19 1.523 -22.057 -13.778 1.00 25.00 H new ATOM 0 HB2 GLU A 19 3.334 -23.427 -12.920 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.347 -23.362 -14.671 1.00 25.00 H new ATOM 0 HG2 GLU A 19 5.321 -21.984 -14.714 1.00 25.00 H new ATOM 0 HG3 GLU A 19 5.196 -21.607 -13.008 1.00 25.00 H new ATOM 297 N SER A 20 3.297 -19.643 -12.516 1.00 25.00 N ATOM 298 CA SER A 20 3.558 -18.839 -11.342 1.00 25.00 C ATOM 299 C SER A 20 2.657 -17.603 -11.315 1.00 25.00 C ATOM 300 O SER A 20 2.246 -17.091 -12.356 1.00 25.00 O ATOM 301 CB SER A 20 5.027 -18.360 -11.352 1.00 25.00 C ATOM 302 OG SER A 20 5.910 -19.475 -11.306 1.00 25.00 O ATOM 0 H SER A 20 3.632 -19.235 -13.389 1.00 25.00 H new ATOM 0 HA SER A 20 3.359 -19.455 -10.465 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.219 -17.772 -12.250 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.210 -17.707 -10.498 1.00 25.00 H new ATOM 0 HG SER A 20 6.837 -19.158 -11.315 1.00 25.00 H new ATOM 308 N PRO A 21 2.372 -17.074 -10.120 1.00 25.00 N ATOM 309 CA PRO A 21 1.528 -15.845 -10.062 1.00 25.00 C ATOM 310 C PRO A 21 2.248 -14.586 -10.490 1.00 25.00 C ATOM 311 O PRO A 21 1.602 -13.583 -10.765 1.00 25.00 O ATOM 312 CB PRO A 21 1.178 -15.788 -8.592 1.00 25.00 C ATOM 313 CG PRO A 21 2.377 -16.341 -7.887 1.00 25.00 C ATOM 314 CD PRO A 21 2.792 -17.483 -8.740 1.00 25.00 C ATOM 0 HA PRO A 21 0.679 -15.894 -10.743 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.970 -14.766 -8.275 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.286 -16.376 -8.375 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.169 -15.597 -7.801 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.133 -16.665 -6.875 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.867 -17.654 -8.684 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.306 -18.409 -8.432 1.00 25.00 H new ATOM 322 N ASP A 22 3.591 -14.682 -10.561 1.00 25.00 N ATOM 323 CA ASP A 22 4.456 -13.598 -11.015 1.00 25.00 C ATOM 324 C ASP A 22 4.572 -13.639 -12.554 1.00 25.00 C ATOM 325 O ASP A 22 5.084 -12.733 -13.170 1.00 25.00 O ATOM 326 CB ASP A 22 5.857 -13.775 -10.398 1.00 25.00 C ATOM 327 CG ASP A 22 5.850 -13.643 -8.872 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.470 -14.492 -8.192 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.152 -12.745 -8.380 1.00 25.00 O ATOM 0 H ASP A 22 4.101 -15.526 -10.300 1.00 25.00 H new ATOM 0 HA ASP A 22 4.033 -12.642 -10.707 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.250 -14.754 -10.672 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.532 -13.031 -10.820 1.00 25.00 H new ATOM 334 N GLU A 23 4.084 -14.728 -13.170 1.00 25.00 N ATOM 335 CA GLU A 23 4.236 -14.941 -14.557 1.00 25.00 C ATOM 336 C GLU A 23 2.938 -14.592 -15.320 1.00 25.00 C ATOM 337 O GLU A 23 1.796 -14.811 -14.831 1.00 25.00 O ATOM 338 CB GLU A 23 4.586 -16.423 -14.765 1.00 25.00 C ATOM 339 CG GLU A 23 5.044 -16.863 -16.194 1.00 25.00 C ATOM 340 CD GLU A 23 5.367 -18.344 -16.277 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.722 -18.812 -17.395 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.097 -19.043 -15.245 1.00 25.00 O ATOM 0 H GLU A 23 3.576 -15.469 -12.688 1.00 25.00 H new ATOM 0 HA GLU A 23 5.025 -14.297 -14.945 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.378 -16.683 -14.063 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.713 -17.016 -14.494 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.258 -16.626 -16.912 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.923 -16.287 -16.482 1.00 25.00 H new ATOM 349 N LEU A 24 3.054 -14.046 -16.510 1.00 25.00 N ATOM 350 CA LEU A 24 1.862 -13.701 -17.288 1.00 25.00 C ATOM 351 C LEU A 24 1.453 -14.842 -18.212 1.00 25.00 C ATOM 352 O LEU A 24 2.238 -15.305 -19.045 1.00 25.00 O ATOM 353 CB LEU A 24 2.090 -12.445 -18.138 1.00 25.00 C ATOM 354 CG LEU A 24 1.319 -11.195 -17.697 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.758 -10.041 -18.564 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.206 -11.400 -17.784 1.00 25.00 C ATOM 0 H LEU A 24 3.942 -13.830 -16.963 1.00 25.00 H new ATOM 0 HA LEU A 24 1.067 -13.512 -16.567 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.155 -12.213 -18.132 1.00 25.00 H new ATOM 0 HB3 LEU A 24 1.819 -12.672 -19.169 1.00 25.00 H new ATOM 0 HG LEU A 24 1.542 -10.986 -16.651 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.222 -9.139 -18.268 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.830 -9.882 -18.443 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.540 -10.267 -19.608 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.714 -10.491 -17.463 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.484 -11.627 -18.813 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.499 -12.227 -17.138 1.00 25.00 H new ATOM 368 N SER A 25 0.164 -15.201 -18.172 1.00 25.00 N ATOM 369 CA SER A 25 -0.396 -16.095 -19.201 1.00 25.00 C ATOM 370 C SER A 25 -0.656 -15.272 -20.478 1.00 25.00 C ATOM 371 O SER A 25 -1.197 -14.161 -20.431 1.00 25.00 O ATOM 372 CB SER A 25 -1.672 -16.721 -18.721 1.00 25.00 C ATOM 373 OG SER A 25 -2.225 -17.576 -19.706 1.00 25.00 O ATOM 0 H SER A 25 -0.499 -14.897 -17.459 1.00 25.00 H new ATOM 0 HA SER A 25 0.312 -16.896 -19.411 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.482 -17.287 -17.809 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.390 -15.941 -18.468 1.00 25.00 H new ATOM 0 HG SER A 25 -3.055 -17.972 -19.367 1.00 25.00 H new ATOM 379 N PHE A 26 -0.218 -15.804 -21.588 1.00 25.00 N ATOM 380 CA PHE A 26 -0.458 -15.184 -22.878 1.00 25.00 C ATOM 381 C PHE A 26 -0.327 -16.293 -23.922 1.00 25.00 C ATOM 382 O PHE A 26 0.153 -17.405 -23.656 1.00 25.00 O ATOM 383 CB PHE A 26 0.531 -14.050 -23.121 1.00 25.00 C ATOM 384 CG PHE A 26 1.975 -14.527 -23.172 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.507 -15.011 -24.374 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.741 -14.554 -22.029 1.00 25.00 C ATOM 387 CE1 PHE A 26 3.816 -15.500 -24.435 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.070 -15.064 -22.053 1.00 25.00 C ATOM 389 CZ PHE A 26 4.603 -15.558 -23.282 1.00 25.00 C ATOM 0 H PHE A 26 0.313 -16.674 -21.631 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.449 -14.734 -22.929 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.284 -13.554 -24.059 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.426 -13.307 -22.330 1.00 25.00 H new ATOM 0 HD1 PHE A 26 1.898 -15.007 -25.266 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.329 -14.184 -21.102 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.221 -15.835 -25.379 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.667 -15.077 -21.153 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.600 -15.971 -23.320 1.00 25.00 H new ATOM 399 N ARG A 27 -0.781 -15.986 -25.144 1.00 25.00 N ATOM 400 CA ARG A 27 -0.730 -16.944 -26.250 1.00 25.00 C ATOM 401 C ARG A 27 -0.196 -16.260 -27.470 1.00 25.00 C ATOM 402 O ARG A 27 -0.046 -15.052 -27.533 1.00 25.00 O ATOM 403 CB ARG A 27 -2.124 -17.506 -26.482 1.00 25.00 C ATOM 404 CG ARG A 27 -2.542 -18.484 -25.382 1.00 25.00 C ATOM 405 CD ARG A 27 -3.712 -19.306 -25.830 1.00 25.00 C ATOM 406 NE ARG A 27 -4.142 -20.241 -24.772 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.082 -21.164 -24.941 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.704 -21.306 -26.103 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.365 -21.948 -23.975 1.00 25.00 N ATOM 0 H ARG A 27 -1.187 -15.083 -25.389 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.064 -17.774 -26.013 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.841 -16.687 -26.529 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.154 -18.012 -27.447 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -1.706 -19.137 -25.130 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.801 -17.934 -24.477 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.540 -18.650 -26.098 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -3.445 -19.865 -26.727 1.00 25.00 H new ATOM 0 HE ARG A 27 -3.692 -20.175 -23.859 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.463 -20.700 -26.888 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -6.423 -22.021 -26.212 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -4.871 -21.861 -23.087 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.085 -22.661 -24.091 1.00 25.00 H new ATOM 423 N LYS A 28 0.211 -17.082 -28.435 1.00 25.00 N ATOM 424 CA LYS A 28 0.834 -16.623 -29.685 1.00 25.00 C ATOM 425 C LYS A 28 -0.129 -15.716 -30.444 1.00 25.00 C ATOM 426 O LYS A 28 -1.294 -15.989 -30.507 1.00 25.00 O ATOM 427 CB LYS A 28 1.252 -17.868 -30.503 1.00 25.00 C ATOM 428 CG LYS A 28 0.154 -18.910 -30.767 1.00 25.00 C ATOM 429 CD LYS A 28 0.759 -20.218 -31.186 1.00 25.00 C ATOM 430 CE LYS A 28 -0.397 -21.264 -31.384 1.00 25.00 C ATOM 431 NZ LYS A 28 0.142 -22.643 -31.762 1.00 25.00 N ATOM 0 H LYS A 28 0.119 -18.096 -28.375 1.00 25.00 H new ATOM 0 HA LYS A 28 1.726 -16.030 -29.485 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.642 -17.531 -31.464 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.072 -18.360 -29.981 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.445 -19.051 -29.867 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.519 -18.548 -31.544 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.321 -20.096 -32.112 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.462 -20.569 -30.430 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.979 -21.341 -30.465 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.075 -20.913 -32.162 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.651 -23.304 -31.884 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.676 -22.575 -32.652 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.769 -22.989 -31.008 1.00 25.00 H new ATOM 445 N GLY A 29 0.364 -14.583 -30.903 1.00 25.00 N ATOM 446 CA GLY A 29 -0.503 -13.539 -31.487 1.00 25.00 C ATOM 447 C GLY A 29 -1.072 -12.526 -30.508 1.00 25.00 C ATOM 448 O GLY A 29 -1.616 -11.507 -30.965 1.00 25.00 O ATOM 0 H GLY A 29 1.356 -14.347 -30.890 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.067 -13.002 -32.245 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.333 -14.027 -31.998 1.00 25.00 H new ATOM 452 N ASP A 30 -0.873 -12.683 -29.183 1.00 25.00 N ATOM 453 CA ASP A 30 -1.338 -11.646 -28.228 1.00 25.00 C ATOM 454 C ASP A 30 -0.361 -10.480 -28.190 1.00 25.00 C ATOM 455 O ASP A 30 0.821 -10.660 -28.494 1.00 25.00 O ATOM 456 CB ASP A 30 -1.525 -12.241 -26.858 1.00 25.00 C ATOM 457 CG ASP A 30 -2.634 -11.594 -26.073 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.090 -12.164 -25.074 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.060 -10.494 -26.504 1.00 25.00 O ATOM 0 H ASP A 30 -0.411 -13.486 -28.757 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.302 -11.266 -28.566 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.734 -13.306 -26.958 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.593 -12.150 -26.300 1.00 25.00 H new ATOM 464 N ILE A 31 -0.849 -9.307 -27.807 1.00 25.00 N ATOM 465 CA ILE A 31 -0.021 -8.065 -27.798 1.00 25.00 C ATOM 466 C ILE A 31 0.027 -7.493 -26.411 1.00 25.00 C ATOM 467 O ILE A 31 -1.010 -7.317 -25.796 1.00 25.00 O ATOM 468 CB ILE A 31 -0.658 -7.000 -28.702 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.027 -7.520 -30.099 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.278 -5.759 -28.836 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.216 -8.010 -30.935 1.00 25.00 C ATOM 0 H ILE A 31 -1.810 -9.169 -27.495 1.00 25.00 H new ATOM 0 HA ILE A 31 0.978 -8.324 -28.149 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.589 -6.715 -28.213 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.734 -8.344 -29.997 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.537 -6.729 -30.650 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.192 -5.016 -29.481 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.452 -5.326 -27.851 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.229 -6.066 -29.270 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.118 -8.364 -31.910 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.914 -7.183 -31.068 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.713 -8.822 -30.405 1.00 25.00 H new ATOM 483 N MET A 32 1.210 -7.321 -25.844 1.00 25.00 N ATOM 484 CA MET A 32 1.324 -6.849 -24.458 1.00 25.00 C ATOM 485 C MET A 32 2.327 -5.685 -24.407 1.00 25.00 C ATOM 486 O MET A 32 3.155 -5.559 -25.291 1.00 25.00 O ATOM 487 CB MET A 32 1.818 -8.011 -23.583 1.00 25.00 C ATOM 488 CG MET A 32 3.187 -8.615 -23.976 1.00 25.00 C ATOM 489 SD MET A 32 3.254 -10.319 -23.554 1.00 25.00 S ATOM 490 CE MET A 32 2.222 -10.920 -24.965 1.00 25.00 C ATOM 0 H MET A 32 2.101 -7.497 -26.309 1.00 25.00 H new ATOM 0 HA MET A 32 0.358 -6.503 -24.090 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.878 -7.664 -22.551 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.071 -8.804 -23.610 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.351 -8.493 -25.047 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.987 -8.077 -23.468 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.196 -12.010 -24.958 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.208 -10.532 -24.866 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.653 -10.573 -25.904 1.00 25.00 H new ATOM 500 N THR A 33 2.222 -4.840 -23.404 1.00 25.00 N ATOM 501 CA THR A 33 3.105 -3.679 -23.233 1.00 25.00 C ATOM 502 C THR A 33 4.289 -3.999 -22.325 1.00 25.00 C ATOM 503 O THR A 33 4.078 -4.450 -21.185 1.00 25.00 O ATOM 504 CB THR A 33 2.356 -2.492 -22.632 1.00 25.00 C ATOM 505 OG1 THR A 33 1.204 -2.262 -23.418 1.00 25.00 O ATOM 506 CG2 THR A 33 3.215 -1.201 -22.667 1.00 25.00 C ATOM 0 H THR A 33 1.518 -4.930 -22.671 1.00 25.00 H new ATOM 0 HA THR A 33 3.466 -3.424 -24.230 1.00 25.00 H new ATOM 0 HB THR A 33 2.111 -2.724 -21.595 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.703 -1.504 -23.051 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.651 -0.377 -22.231 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.130 -1.357 -22.095 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.469 -0.961 -23.699 1.00 25.00 H new ATOM 514 N VAL A 34 5.515 -3.769 -22.770 1.00 25.00 N ATOM 515 CA VAL A 34 6.730 -3.990 -21.962 1.00 25.00 C ATOM 516 C VAL A 34 6.934 -2.762 -21.111 1.00 25.00 C ATOM 517 O VAL A 34 7.079 -1.667 -21.620 1.00 25.00 O ATOM 518 CB VAL A 34 7.972 -4.239 -22.843 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.211 -4.502 -21.987 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.725 -5.471 -23.752 1.00 25.00 C ATOM 0 H VAL A 34 5.709 -3.420 -23.709 1.00 25.00 H new ATOM 0 HA VAL A 34 6.600 -4.881 -21.347 1.00 25.00 H new ATOM 0 HB VAL A 34 8.142 -3.347 -23.446 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.071 -4.674 -22.635 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.403 -3.638 -21.350 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.044 -5.381 -21.365 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.603 -5.646 -24.374 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.538 -6.348 -23.133 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.860 -5.286 -24.389 1.00 25.00 H new ATOM 530 N LEU A 35 6.952 -2.966 -19.795 1.00 25.00 N ATOM 531 CA LEU A 35 7.164 -1.890 -18.833 1.00 25.00 C ATOM 532 C LEU A 35 8.666 -1.744 -18.507 1.00 25.00 C ATOM 533 O LEU A 35 9.141 -0.623 -18.375 1.00 25.00 O ATOM 534 CB LEU A 35 6.357 -2.163 -17.552 1.00 25.00 C ATOM 535 CG LEU A 35 4.809 -2.259 -17.661 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.221 -2.661 -16.325 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.154 -0.873 -18.071 1.00 25.00 C ATOM 0 H LEU A 35 6.820 -3.882 -19.367 1.00 25.00 H new ATOM 0 HA LEU A 35 6.818 -0.954 -19.272 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.719 -3.098 -17.125 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.591 -1.374 -16.837 1.00 25.00 H new ATOM 0 HG LEU A 35 4.594 -3.001 -18.430 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.136 -2.726 -16.410 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.621 -3.631 -16.029 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.482 -1.916 -15.574 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.072 -0.987 -18.135 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.396 -0.120 -17.321 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.544 -0.559 -19.039 1.00 25.00 H new ATOM 549 N GLU A 36 9.378 -2.858 -18.365 1.00 25.00 N ATOM 550 CA GLU A 36 10.802 -2.871 -18.082 1.00 25.00 C ATOM 551 C GLU A 36 11.432 -4.185 -18.595 1.00 25.00 C ATOM 552 O GLU A 36 10.699 -5.122 -18.938 1.00 25.00 O ATOM 553 CB GLU A 36 11.058 -2.655 -16.575 1.00 25.00 C ATOM 554 CG GLU A 36 10.368 -3.683 -15.681 1.00 25.00 C ATOM 555 CD GLU A 36 10.749 -3.494 -14.237 1.00 25.00 C ATOM 556 OE1 GLU A 36 9.927 -2.941 -13.461 1.00 25.00 O ATOM 557 OE2 GLU A 36 11.888 -3.947 -13.884 1.00 25.00 O ATOM 0 H GLU A 36 8.971 -3.790 -18.445 1.00 25.00 H new ATOM 0 HA GLU A 36 11.281 -2.046 -18.610 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.132 -2.688 -16.390 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.717 -1.658 -16.297 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.287 -3.595 -15.789 1.00 25.00 H new ATOM 0 HG3 GLU A 36 10.639 -4.689 -16.003 1.00 25.00 H new ATOM 564 N ARG A 37 12.737 -4.285 -18.645 1.00 25.00 N ATOM 565 CA ARG A 37 13.381 -5.518 -19.132 1.00 25.00 C ATOM 566 C ARG A 37 14.280 -6.018 -18.015 1.00 25.00 C ATOM 567 O ARG A 37 14.719 -5.220 -17.173 1.00 25.00 O ATOM 568 CB ARG A 37 14.226 -5.293 -20.413 1.00 25.00 C ATOM 569 CG ARG A 37 13.460 -4.951 -21.618 1.00 25.00 C ATOM 570 CD ARG A 37 14.288 -5.080 -22.870 1.00 25.00 C ATOM 571 NE ARG A 37 15.200 -3.921 -23.098 1.00 25.00 N ATOM 572 CZ ARG A 37 16.121 -3.867 -24.056 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.319 -4.877 -24.864 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.872 -2.800 -24.182 1.00 25.00 N ATOM 0 H ARG A 37 13.383 -3.548 -18.362 1.00 25.00 H new ATOM 0 HA ARG A 37 12.608 -6.239 -19.397 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.943 -4.495 -20.220 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.801 -6.197 -20.613 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.589 -5.603 -21.691 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.088 -3.930 -21.533 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.880 -5.993 -22.813 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.623 -5.184 -23.728 1.00 25.00 H new ATOM 0 HE ARG A 37 15.111 -3.116 -22.478 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.762 -5.726 -24.765 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.030 -4.816 -25.592 1.00 25.00 H new ATOM 0 HH21 ARG A 37 16.750 -2.012 -23.546 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.579 -2.758 -24.916 1.00 25.00 H new ATOM 588 N ASP A 38 14.530 -7.338 -18.044 1.00 25.00 N ATOM 589 CA ASP A 38 15.424 -8.056 -17.090 1.00 25.00 C ATOM 590 C ASP A 38 14.988 -7.830 -15.631 1.00 25.00 C ATOM 591 O ASP A 38 15.772 -7.679 -14.726 1.00 25.00 O ATOM 592 CB ASP A 38 16.901 -7.634 -17.310 1.00 25.00 C ATOM 593 CG ASP A 38 17.299 -7.720 -18.786 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.962 -6.756 -19.269 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.807 -8.651 -19.497 1.00 25.00 O ATOM 0 H ASP A 38 14.114 -7.957 -18.740 1.00 25.00 H new ATOM 0 HA ASP A 38 15.342 -9.125 -17.288 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.046 -6.614 -16.953 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.555 -8.275 -16.719 1.00 25.00 H new ATOM 600 N THR A 39 13.676 -7.807 -15.439 1.00 25.00 N ATOM 601 CA THR A 39 13.062 -7.351 -14.177 1.00 25.00 C ATOM 602 C THR A 39 13.315 -8.199 -12.955 1.00 25.00 C ATOM 603 O THR A 39 13.128 -7.746 -11.827 1.00 25.00 O ATOM 604 CB THR A 39 11.527 -7.242 -14.388 1.00 25.00 C ATOM 605 OG1 THR A 39 10.971 -6.573 -13.266 1.00 25.00 O ATOM 606 CG2 THR A 39 10.830 -8.634 -14.452 1.00 25.00 C ATOM 0 H THR A 39 13.000 -8.101 -16.144 1.00 25.00 H new ATOM 0 HA THR A 39 13.544 -6.397 -13.961 1.00 25.00 H new ATOM 0 HB THR A 39 11.368 -6.718 -15.330 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.311 -5.655 -13.231 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.759 -8.498 -14.601 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.241 -9.209 -15.282 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.002 -9.170 -13.519 1.00 25.00 H new ATOM 614 N GLN A 40 13.780 -9.423 -13.155 1.00 25.00 N ATOM 615 CA GLN A 40 14.023 -10.294 -12.028 1.00 25.00 C ATOM 616 C GLN A 40 15.544 -10.609 -11.973 1.00 25.00 C ATOM 617 O GLN A 40 15.993 -11.516 -11.298 1.00 25.00 O ATOM 618 CB GLN A 40 13.159 -11.530 -12.149 1.00 25.00 C ATOM 619 CG GLN A 40 12.660 -12.097 -10.852 1.00 25.00 C ATOM 620 CD GLN A 40 11.886 -13.409 -11.055 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.466 -14.424 -11.323 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.607 -13.387 -10.913 1.00 25.00 N ATOM 0 H GLN A 40 13.991 -9.824 -14.069 1.00 25.00 H new ATOM 0 HA GLN A 40 13.750 -9.818 -11.086 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.300 -11.292 -12.776 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.728 -12.301 -12.668 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.504 -12.274 -10.185 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.015 -11.368 -10.362 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.134 -12.512 -10.685 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.066 -14.244 -11.028 1.00 25.00 H new ATOM 631 N GLY A 41 16.303 -9.849 -12.734 1.00 25.00 N ATOM 632 CA GLY A 41 17.726 -10.080 -12.823 1.00 25.00 C ATOM 633 C GLY A 41 18.035 -11.220 -13.782 1.00 25.00 C ATOM 634 O GLY A 41 19.156 -11.503 -14.116 1.00 25.00 O ATOM 0 H GLY A 41 15.959 -9.071 -13.296 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.225 -9.171 -13.160 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.122 -10.314 -11.835 1.00 25.00 H new ATOM 638 N LEU A 42 16.975 -11.793 -14.297 1.00 25.00 N ATOM 639 CA LEU A 42 17.073 -12.794 -15.331 1.00 25.00 C ATOM 640 C LEU A 42 17.229 -12.075 -16.658 1.00 25.00 C ATOM 641 O LEU A 42 16.315 -11.379 -17.120 1.00 25.00 O ATOM 642 CB LEU A 42 15.814 -13.643 -15.422 1.00 25.00 C ATOM 643 CG LEU A 42 15.542 -14.648 -14.294 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.113 -15.141 -14.505 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.509 -15.852 -14.339 1.00 25.00 C ATOM 0 H LEU A 42 16.020 -11.579 -14.011 1.00 25.00 H new ATOM 0 HA LEU A 42 17.917 -13.443 -15.099 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.960 -12.969 -15.482 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.851 -14.196 -16.361 1.00 25.00 H new ATOM 0 HG LEU A 42 15.685 -14.168 -13.326 1.00 25.00 H new ATOM 0 HD11 LEU A 42 13.859 -15.863 -13.729 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.426 -14.297 -14.454 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.033 -15.616 -15.483 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.278 -16.535 -13.522 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.398 -16.373 -15.290 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.535 -15.499 -14.237 1.00 25.00 H new ATOM 657 N ASP A 43 18.376 -12.294 -17.291 1.00 25.00 N ATOM 658 CA ASP A 43 18.657 -11.752 -18.604 1.00 25.00 C ATOM 659 C ASP A 43 17.697 -12.379 -19.609 1.00 25.00 C ATOM 660 O ASP A 43 17.739 -13.591 -19.862 1.00 25.00 O ATOM 661 CB ASP A 43 20.111 -12.043 -19.053 1.00 25.00 C ATOM 662 CG ASP A 43 20.484 -11.409 -20.379 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.681 -10.629 -20.915 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.585 -11.665 -20.882 1.00 25.00 O ATOM 0 H ASP A 43 19.135 -12.854 -16.903 1.00 25.00 H new ATOM 0 HA ASP A 43 18.529 -10.671 -18.557 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.796 -11.685 -18.285 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.249 -13.122 -19.126 1.00 25.00 H new ATOM 669 N GLY A 44 16.858 -11.507 -20.163 1.00 25.00 N ATOM 670 CA GLY A 44 15.893 -11.919 -21.173 1.00 25.00 C ATOM 671 C GLY A 44 14.439 -12.062 -20.676 1.00 25.00 C ATOM 672 O GLY A 44 13.595 -12.453 -21.486 1.00 25.00 O ATOM 0 H GLY A 44 16.828 -10.515 -19.929 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.912 -11.194 -21.987 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.213 -12.874 -21.589 1.00 25.00 H new ATOM 676 N TRP A 45 14.130 -11.797 -19.408 1.00 25.00 N ATOM 677 CA TRP A 45 12.754 -11.833 -18.940 1.00 25.00 C ATOM 678 C TRP A 45 12.261 -10.445 -18.641 1.00 25.00 C ATOM 679 O TRP A 45 12.808 -9.705 -17.820 1.00 25.00 O ATOM 680 CB TRP A 45 12.657 -12.709 -17.696 1.00 25.00 C ATOM 681 CG TRP A 45 12.591 -14.165 -18.030 1.00 25.00 C ATOM 682 CD1 TRP A 45 13.656 -14.968 -18.366 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.437 -15.033 -18.068 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.255 -16.261 -18.592 1.00 25.00 N ATOM 685 CE2 TRP A 45 11.911 -16.344 -18.387 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.070 -14.852 -17.779 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.038 -17.464 -18.476 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.179 -15.963 -17.895 1.00 25.00 C ATOM 689 CH2 TRP A 45 9.670 -17.243 -18.240 1.00 25.00 C ATOM 0 H TRP A 45 14.815 -11.556 -18.691 1.00 25.00 H new ATOM 0 HA TRP A 45 12.126 -12.256 -19.724 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.520 -12.524 -17.056 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.771 -12.429 -17.126 1.00 25.00 H new ATOM 0 HD1 TRP A 45 14.677 -14.625 -18.442 1.00 25.00 H new ATOM 0 HE1 TRP A 45 13.863 -17.032 -18.868 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.700 -13.885 -17.473 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.413 -18.448 -18.716 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.123 -15.824 -17.718 1.00 25.00 H new ATOM 0 HH2 TRP A 45 8.979 -18.069 -18.324 1.00 25.00 H new ATOM 700 N TRP A 46 11.236 -10.057 -19.384 1.00 25.00 N ATOM 701 CA TRP A 46 10.772 -8.689 -19.360 1.00 25.00 C ATOM 702 C TRP A 46 9.453 -8.643 -18.567 1.00 25.00 C ATOM 703 O TRP A 46 8.722 -9.625 -18.552 1.00 25.00 O ATOM 704 CB TRP A 46 10.496 -8.193 -20.792 1.00 25.00 C ATOM 705 CG TRP A 46 11.656 -8.284 -21.782 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.972 -8.555 -21.522 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.578 -8.165 -23.210 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.718 -8.539 -22.661 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.896 -8.283 -23.732 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.519 -7.965 -24.127 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.173 -8.198 -25.118 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.793 -7.844 -25.499 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.130 -7.934 -25.978 1.00 25.00 C ATOM 0 H TRP A 46 10.714 -10.673 -20.008 1.00 25.00 H new ATOM 0 HA TRP A 46 11.532 -8.056 -18.901 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.659 -8.763 -21.195 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.176 -7.153 -20.737 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.369 -8.756 -20.538 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.725 -8.692 -22.711 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.501 -7.905 -23.772 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.177 -8.337 -25.491 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 9.984 -7.682 -26.195 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.330 -7.793 -27.030 1.00 25.00 H new ATOM 724 N LEU A 47 9.115 -7.499 -17.979 1.00 25.00 N ATOM 725 CA LEU A 47 7.848 -7.334 -17.254 1.00 25.00 C ATOM 726 C LEU A 47 6.871 -6.760 -18.226 1.00 25.00 C ATOM 727 O LEU A 47 7.100 -5.634 -18.762 1.00 25.00 O ATOM 728 CB LEU A 47 8.023 -6.391 -16.097 1.00 25.00 C ATOM 729 CG LEU A 47 6.849 -6.259 -15.104 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.685 -7.607 -14.352 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.045 -5.099 -14.130 1.00 25.00 C ATOM 0 H LEU A 47 9.702 -6.665 -17.988 1.00 25.00 H new ATOM 0 HA LEU A 47 7.504 -8.289 -16.856 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.904 -6.705 -15.537 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.237 -5.401 -16.499 1.00 25.00 H new ATOM 0 HG LEU A 47 5.939 -6.033 -15.660 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.859 -7.531 -13.645 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.477 -8.401 -15.069 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.604 -7.837 -13.812 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.194 -5.046 -13.451 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.958 -5.256 -13.556 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.123 -4.165 -14.687 1.00 25.00 H new ATOM 743 N CYS A 48 5.790 -7.450 -18.494 1.00 25.00 N ATOM 744 CA CYS A 48 4.823 -6.918 -19.388 1.00 25.00 C ATOM 745 C CYS A 48 3.508 -6.719 -18.681 1.00 25.00 C ATOM 746 O CYS A 48 3.286 -7.349 -17.666 1.00 25.00 O ATOM 747 CB CYS A 48 4.590 -7.872 -20.563 1.00 25.00 C ATOM 748 SG CYS A 48 6.196 -8.151 -21.392 1.00 25.00 S ATOM 0 H CYS A 48 5.570 -8.367 -18.106 1.00 25.00 H new ATOM 0 HA CYS A 48 5.203 -5.964 -19.754 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.174 -8.816 -20.211 1.00 25.00 H new ATOM 0 HB3 CYS A 48 3.869 -7.447 -21.262 1.00 25.00 H new ATOM 0 HG CYS A 48 5.998 -8.383 -22.656 1.00 25.00 H new ATOM 754 N SER A 49 2.630 -5.932 -19.268 1.00 25.00 N ATOM 755 CA SER A 49 1.272 -5.751 -18.775 1.00 25.00 C ATOM 756 C SER A 49 0.227 -6.195 -19.792 1.00 25.00 C ATOM 757 O SER A 49 0.342 -5.889 -20.989 1.00 25.00 O ATOM 758 CB SER A 49 1.069 -4.305 -18.345 1.00 25.00 C ATOM 759 OG SER A 49 -0.250 -4.078 -17.872 1.00 25.00 O ATOM 0 H SER A 49 2.837 -5.393 -20.109 1.00 25.00 H new ATOM 0 HA SER A 49 1.135 -6.394 -17.905 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.785 -4.054 -17.562 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.273 -3.643 -19.187 1.00 25.00 H new ATOM 0 HG SER A 49 -0.344 -3.140 -17.603 1.00 25.00 H new ATOM 765 N LEU A 50 -0.666 -7.012 -19.313 1.00 25.00 N ATOM 766 CA LEU A 50 -1.722 -7.634 -20.126 1.00 25.00 C ATOM 767 C LEU A 50 -2.911 -8.062 -19.184 1.00 25.00 C ATOM 768 O LEU A 50 -2.692 -8.461 -18.043 1.00 25.00 O ATOM 769 CB LEU A 50 -1.130 -8.872 -20.839 1.00 25.00 C ATOM 770 CG LEU A 50 -2.054 -9.628 -21.807 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.456 -8.748 -22.994 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.358 -10.862 -22.341 1.00 25.00 C ATOM 0 H LEU A 50 -0.698 -7.283 -18.330 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.097 -6.932 -20.871 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.247 -8.554 -21.393 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.792 -9.573 -20.076 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.947 -9.909 -21.250 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -3.109 -9.312 -23.660 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.982 -7.865 -22.631 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.563 -8.440 -23.537 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.024 -11.388 -23.025 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.452 -10.568 -22.871 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.097 -11.520 -21.512 1.00 25.00 H new ATOM 784 N HIS A 51 -4.147 -7.901 -19.675 1.00 25.00 N ATOM 785 CA HIS A 51 -5.368 -8.226 -18.892 1.00 25.00 C ATOM 786 C HIS A 51 -5.423 -7.463 -17.561 1.00 25.00 C ATOM 787 O HIS A 51 -5.944 -7.961 -16.580 1.00 25.00 O ATOM 788 CB HIS A 51 -5.432 -9.751 -18.666 1.00 25.00 C ATOM 789 CG HIS A 51 -6.813 -10.281 -18.412 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.634 -10.799 -19.393 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.520 -10.421 -17.252 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.758 -11.256 -18.812 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.729 -11.033 -17.502 1.00 25.00 N ATOM 0 H HIS A 51 -4.338 -7.547 -20.612 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.240 -7.906 -19.462 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.018 -10.254 -19.540 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.796 -10.008 -17.819 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.180 -10.098 -16.279 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.570 -11.737 -19.337 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.452 -11.267 -16.822 1.00 25.00 H new ATOM 801 N GLY A 52 -4.798 -6.302 -17.502 1.00 25.00 N ATOM 802 CA GLY A 52 -4.774 -5.482 -16.292 1.00 25.00 C ATOM 803 C GLY A 52 -3.754 -5.904 -15.251 1.00 25.00 C ATOM 804 O GLY A 52 -3.670 -5.191 -14.233 1.00 25.00 O ATOM 0 H GLY A 52 -4.291 -5.896 -18.288 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.575 -4.449 -16.576 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.765 -5.503 -15.838 1.00 25.00 H new ATOM 808 N ARG A 53 -3.031 -6.994 -15.478 1.00 25.00 N ATOM 809 CA ARG A 53 -2.051 -7.485 -14.492 1.00 25.00 C ATOM 810 C ARG A 53 -0.683 -7.341 -15.079 1.00 25.00 C ATOM 811 O ARG A 53 -0.544 -7.275 -16.319 1.00 25.00 O ATOM 812 CB ARG A 53 -2.238 -8.946 -14.233 1.00 25.00 C ATOM 813 CG ARG A 53 -3.663 -9.356 -13.781 1.00 25.00 C ATOM 814 CD ARG A 53 -3.675 -10.772 -13.319 1.00 25.00 C ATOM 815 NE ARG A 53 -5.045 -11.203 -12.922 1.00 25.00 N ATOM 816 CZ ARG A 53 -5.875 -11.953 -13.656 1.00 25.00 C ATOM 817 NH1 ARG A 53 -5.505 -12.399 -14.851 1.00 25.00 N ATOM 818 NH2 ARG A 53 -7.076 -12.256 -13.197 1.00 25.00 N ATOM 0 H ARG A 53 -3.097 -7.557 -16.326 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.181 -6.917 -13.571 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.990 -9.495 -15.141 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.527 -9.258 -13.468 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.998 -8.702 -12.976 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.363 -9.230 -14.607 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.305 -11.419 -14.114 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.997 -10.886 -12.473 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.380 -10.899 -12.008 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -4.581 -12.170 -15.217 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -6.145 -12.970 -15.403 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -7.372 -11.918 -12.281 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -7.707 -12.828 -13.758 1.00 25.00 H new ATOM 832 N GLN A 54 0.347 -7.342 -14.243 1.00 25.00 N ATOM 833 CA GLN A 54 1.740 -7.295 -14.722 1.00 25.00 C ATOM 834 C GLN A 54 2.316 -8.676 -14.423 1.00 25.00 C ATOM 835 O GLN A 54 1.934 -9.239 -13.411 1.00 25.00 O ATOM 836 CB GLN A 54 2.520 -6.180 -14.019 1.00 25.00 C ATOM 837 CG GLN A 54 1.918 -4.780 -14.206 1.00 25.00 C ATOM 838 CD GLN A 54 2.495 -3.808 -13.199 1.00 25.00 C ATOM 839 OE1 GLN A 54 3.695 -3.690 -13.034 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.618 -3.139 -12.468 1.00 25.00 N ATOM 0 H GLN A 54 0.254 -7.375 -13.228 1.00 25.00 H new ATOM 0 HA GLN A 54 1.803 -7.068 -15.786 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.570 -6.403 -12.953 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.544 -6.176 -14.393 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.118 -4.425 -15.217 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.835 -4.827 -14.094 1.00 25.00 H new ATOM 0 HE21 GLN A 54 0.619 -3.261 -12.632 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.941 -2.501 -11.740 1.00 25.00 H new ATOM 849 N GLY A 55 3.250 -9.148 -15.227 1.00 25.00 N ATOM 850 CA GLY A 55 3.882 -10.410 -14.990 1.00 25.00 C ATOM 851 C GLY A 55 5.123 -10.536 -15.854 1.00 25.00 C ATOM 852 O GLY A 55 5.259 -9.799 -16.811 1.00 25.00 O ATOM 0 H GLY A 55 3.584 -8.660 -16.058 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.150 -10.500 -13.937 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.189 -11.221 -15.213 1.00 25.00 H new ATOM 856 N ILE A 56 6.001 -11.466 -15.529 1.00 25.00 N ATOM 857 CA ILE A 56 7.243 -11.666 -16.281 1.00 25.00 C ATOM 858 C ILE A 56 6.941 -12.535 -17.517 1.00 25.00 C ATOM 859 O ILE A 56 6.063 -13.413 -17.515 1.00 25.00 O ATOM 860 CB ILE A 56 8.350 -12.319 -15.361 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.944 -13.723 -14.927 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.567 -11.435 -14.113 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.065 -14.487 -14.283 1.00 25.00 C ATOM 0 H ILE A 56 5.882 -12.105 -14.743 1.00 25.00 H new ATOM 0 HA ILE A 56 7.635 -10.706 -16.616 1.00 25.00 H new ATOM 0 HB ILE A 56 9.275 -12.391 -15.933 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.110 -13.654 -14.228 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.587 -14.276 -15.795 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.330 -11.884 -13.477 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.891 -10.441 -14.423 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.633 -11.355 -13.557 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.713 -15.478 -13.997 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.891 -14.585 -14.988 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.407 -13.953 -13.396 1.00 25.00 H new ATOM 875 N VAL A 57 7.589 -12.202 -18.632 1.00 25.00 N ATOM 876 CA VAL A 57 7.344 -12.856 -19.907 1.00 25.00 C ATOM 877 C VAL A 57 8.734 -13.044 -20.537 1.00 25.00 C ATOM 878 O VAL A 57 9.550 -12.135 -20.499 1.00 25.00 O ATOM 879 CB VAL A 57 6.488 -11.896 -20.806 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.467 -12.362 -22.281 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.046 -11.788 -20.283 1.00 25.00 C ATOM 0 H VAL A 57 8.298 -11.470 -18.672 1.00 25.00 H new ATOM 0 HA VAL A 57 6.813 -13.802 -19.801 1.00 25.00 H new ATOM 0 HB VAL A 57 6.960 -10.915 -20.759 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.864 -11.672 -22.872 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.485 -12.381 -22.671 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.037 -13.362 -22.341 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.476 -11.117 -20.925 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.583 -12.775 -20.287 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.056 -11.396 -19.266 1.00 25.00 H new ATOM 891 N PRO A 58 8.996 -14.209 -21.138 1.00 25.00 N ATOM 892 CA PRO A 58 10.304 -14.251 -21.798 1.00 25.00 C ATOM 893 C PRO A 58 10.414 -13.443 -23.069 1.00 25.00 C ATOM 894 O PRO A 58 9.701 -13.672 -24.054 1.00 25.00 O ATOM 895 CB PRO A 58 10.515 -15.735 -22.045 1.00 25.00 C ATOM 896 CG PRO A 58 9.181 -16.353 -22.110 1.00 25.00 C ATOM 897 CD PRO A 58 8.260 -15.476 -21.290 1.00 25.00 C ATOM 0 HA PRO A 58 11.069 -13.787 -21.176 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.061 -15.898 -22.974 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.107 -16.179 -21.245 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.835 -16.421 -23.141 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.204 -17.368 -21.714 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.306 -15.323 -21.794 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.041 -15.926 -20.322 1.00 25.00 H new ATOM 905 N GLY A 59 11.368 -12.527 -23.056 1.00 25.00 N ATOM 906 CA GLY A 59 11.586 -11.627 -24.156 1.00 25.00 C ATOM 907 C GLY A 59 12.177 -12.283 -25.372 1.00 25.00 C ATOM 908 O GLY A 59 11.986 -11.813 -26.511 1.00 25.00 O ATOM 0 H GLY A 59 12.011 -12.393 -22.275 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.637 -11.166 -24.429 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.248 -10.825 -23.830 1.00 25.00 H new ATOM 912 N ASN A 60 12.791 -13.447 -25.162 1.00 25.00 N ATOM 913 CA ASN A 60 13.244 -14.219 -26.315 1.00 25.00 C ATOM 914 C ASN A 60 12.087 -14.814 -27.098 1.00 25.00 C ATOM 915 O ASN A 60 12.286 -15.365 -28.203 1.00 25.00 O ATOM 916 CB ASN A 60 14.128 -15.362 -25.836 1.00 25.00 C ATOM 917 CG ASN A 60 15.430 -14.908 -25.348 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.505 -13.925 -24.595 1.00 25.00 O ATOM 919 ND2 ASN A 60 16.490 -15.622 -25.714 1.00 25.00 N ATOM 0 H ASN A 60 12.979 -13.861 -24.249 1.00 25.00 H new ATOM 0 HA ASN A 60 13.789 -13.538 -26.968 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.615 -15.902 -25.040 1.00 25.00 H new ATOM 0 HB3 ASN A 60 14.278 -16.066 -26.654 1.00 25.00 H new ATOM 0 HD21 ASN A 60 17.418 -15.369 -25.373 1.00 25.00 H new ATOM 0 HD22 ASN A 60 16.376 -16.422 -26.336 1.00 25.00 H new ATOM 926 N ARG A 61 10.880 -14.714 -26.540 1.00 25.00 N ATOM 927 CA ARG A 61 9.668 -15.258 -27.190 1.00 25.00 C ATOM 928 C ARG A 61 8.794 -14.118 -27.690 1.00 25.00 C ATOM 929 O ARG A 61 7.699 -14.327 -28.218 1.00 25.00 O ATOM 930 CB ARG A 61 8.832 -16.178 -26.218 1.00 25.00 C ATOM 931 CG ARG A 61 9.542 -17.459 -25.837 1.00 25.00 C ATOM 932 CD ARG A 61 8.541 -18.472 -25.245 1.00 25.00 C ATOM 933 NE ARG A 61 9.086 -19.831 -25.045 1.00 25.00 N ATOM 934 CZ ARG A 61 8.357 -20.949 -25.120 1.00 25.00 C ATOM 935 NH1 ARG A 61 7.068 -20.938 -25.307 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.940 -22.094 -24.981 1.00 25.00 N ATOM 0 H ARG A 61 10.707 -14.264 -25.641 1.00 25.00 H new ATOM 0 HA ARG A 61 9.996 -15.874 -28.027 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.599 -15.618 -25.312 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.883 -16.426 -26.693 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.028 -17.888 -26.714 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.326 -17.246 -25.110 1.00 25.00 H new ATOM 0 HD2 ARG A 61 8.185 -18.093 -24.287 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.676 -18.535 -25.905 1.00 25.00 H new ATOM 0 HE ARG A 61 10.080 -19.922 -24.837 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.574 -20.051 -25.403 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.552 -21.817 -25.358 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.946 -22.138 -24.816 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.394 -22.954 -25.036 1.00 25.00 H new ATOM 950 N LEU A 62 9.295 -12.916 -27.544 1.00 25.00 N ATOM 951 CA LEU A 62 8.599 -11.719 -27.966 1.00 25.00 C ATOM 952 C LEU A 62 9.286 -11.039 -29.148 1.00 25.00 C ATOM 953 O LEU A 62 10.527 -11.025 -29.300 1.00 25.00 O ATOM 954 CB LEU A 62 8.532 -10.689 -26.819 1.00 25.00 C ATOM 955 CG LEU A 62 7.586 -10.995 -25.671 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.662 -9.818 -24.660 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.157 -11.159 -26.162 1.00 25.00 C ATOM 0 H LEU A 62 10.207 -12.736 -27.125 1.00 25.00 H new ATOM 0 HA LEU A 62 7.600 -12.041 -28.260 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.535 -10.573 -26.409 1.00 25.00 H new ATOM 0 HB3 LEU A 62 8.248 -9.726 -27.244 1.00 25.00 H new ATOM 0 HG LEU A 62 7.882 -11.932 -25.200 1.00 25.00 H new ATOM 0 HD11 LEU A 62 6.991 -10.013 -23.824 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.683 -9.721 -24.291 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.366 -8.893 -25.155 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.505 -11.377 -25.317 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.830 -10.238 -26.644 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.110 -11.980 -26.878 1.00 25.00 H new ATOM 969 N LYS A 63 8.457 -10.441 -29.999 1.00 25.00 N ATOM 970 CA LYS A 63 8.937 -9.553 -31.100 1.00 25.00 C ATOM 971 C LYS A 63 8.475 -8.108 -30.884 1.00 25.00 C ATOM 972 O LYS A 63 7.307 -7.887 -30.734 1.00 25.00 O ATOM 973 CB LYS A 63 8.396 -10.096 -32.447 1.00 25.00 C ATOM 974 CG LYS A 63 9.011 -9.484 -33.695 1.00 25.00 C ATOM 975 CD LYS A 63 10.470 -9.787 -33.903 1.00 25.00 C ATOM 976 CE LYS A 63 10.974 -9.103 -35.198 1.00 25.00 C ATOM 977 NZ LYS A 63 12.419 -9.445 -35.457 1.00 25.00 N ATOM 0 H LYS A 63 7.443 -10.544 -29.962 1.00 25.00 H new ATOM 0 HA LYS A 63 10.027 -9.551 -31.110 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.557 -11.174 -32.475 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.319 -9.934 -32.477 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.456 -9.835 -34.565 1.00 25.00 H new ATOM 0 HG3 LYS A 63 8.883 -8.402 -33.651 1.00 25.00 H new ATOM 0 HD2 LYS A 63 11.048 -9.436 -33.048 1.00 25.00 H new ATOM 0 HD3 LYS A 63 10.620 -10.865 -33.969 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.363 -9.420 -36.043 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.861 -8.022 -35.111 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 12.736 -8.976 -36.330 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 13.001 -9.120 -34.659 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 12.519 -10.475 -35.562 1.00 25.00 H new ATOM 991 N ILE A 64 9.410 -7.203 -30.708 1.00 25.00 N ATOM 992 CA ILE A 64 9.134 -5.761 -30.514 1.00 25.00 C ATOM 993 C ILE A 64 8.389 -5.272 -31.748 1.00 25.00 C ATOM 994 O ILE A 64 8.788 -5.508 -32.877 1.00 25.00 O ATOM 995 CB ILE A 64 10.436 -4.933 -30.271 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.186 -5.380 -28.978 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.095 -3.394 -30.153 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.445 -5.059 -27.627 1.00 25.00 C ATOM 0 H ILE A 64 10.404 -7.431 -30.692 1.00 25.00 H new ATOM 0 HA ILE A 64 8.529 -5.622 -29.618 1.00 25.00 H new ATOM 0 HB ILE A 64 11.087 -5.113 -31.127 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.360 -6.455 -29.032 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.164 -4.899 -28.960 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.012 -2.830 -29.984 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.625 -3.054 -31.076 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.412 -3.236 -29.318 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.048 -5.409 -26.789 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.295 -3.983 -27.541 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.478 -5.562 -27.614 1.00 25.00 H new