USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.253 (180deg=-1.45!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 18 SER OG : rot -36:sc= 0.173 USER MOD Single : A 19 GLN :FLIP amide:sc= -3.59! C(o=-6.1!,f=-3.6!) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -1.16 (180deg=-1.73) USER MOD Single : A 25 TYR OH : rot 180:sc=-0.00488 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= -0.465 (180deg=-0.499) USER MOD Single : A 29 TYR OH : rot 123:sc= 0.0133 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.206 K(o=0.21,f=-0.67) USER MOD Single : A 40 TYR OH : rot 132:sc= 1.16 USER MOD Single : A 41 SER OG : rot 110:sc= -1.49! USER MOD Single : A 43 LYS NZ :NH3+ -139:sc= -1.27! (180deg=-4.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -150:sc= -0.465 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0.094 (180deg=0.0723) USER MOD Single : A 68 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.181 -3.462 10.560 1.00 0.00 N ATOM 63 CA ARG A 6 12.249 -2.581 11.767 1.00 0.00 C ATOM 64 C ARG A 6 11.547 -1.257 11.453 1.00 0.00 C ATOM 65 O ARG A 6 11.360 -0.904 10.306 1.00 0.00 O ATOM 66 CB ARG A 6 13.718 -2.302 12.111 1.00 0.00 C ATOM 67 CG ARG A 6 14.414 -3.597 12.618 1.00 0.00 C ATOM 68 CD ARG A 6 15.314 -3.289 13.820 1.00 0.00 C ATOM 69 NE ARG A 6 16.481 -2.477 13.375 1.00 0.00 N ATOM 70 CZ ARG A 6 17.216 -1.855 14.256 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.933 -1.947 15.527 1.00 0.00 N ATOM 72 NH2 ARG A 6 18.237 -1.141 13.867 1.00 0.00 N ATOM 0 HA ARG A 6 11.763 -3.071 12.611 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.238 -1.923 11.231 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.778 -1.527 12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.662 -4.335 12.899 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.007 -4.036 11.816 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.750 -2.748 14.580 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.657 -4.217 14.278 1.00 0.00 H new ATOM 0 HE ARG A 6 16.705 -2.407 12.382 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.136 -2.506 15.833 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.509 -1.460 16.214 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.460 -1.069 12.874 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.811 -0.655 14.556 1.00 0.00 H new ATOM 86 N ASP A 7 11.157 -0.519 12.458 1.00 0.00 N ATOM 87 CA ASP A 7 10.471 0.780 12.198 1.00 0.00 C ATOM 88 C ASP A 7 11.515 1.861 11.908 1.00 0.00 C ATOM 89 O ASP A 7 12.699 1.596 11.859 1.00 0.00 O ATOM 90 CB ASP A 7 9.645 1.180 13.424 1.00 0.00 C ATOM 91 CG ASP A 7 10.573 1.439 14.611 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.771 1.276 14.451 1.00 0.00 O ATOM 93 OD2 ASP A 7 10.068 1.799 15.662 1.00 0.00 O ATOM 0 H ASP A 7 11.283 -0.757 13.442 1.00 0.00 H new ATOM 0 HA ASP A 7 9.811 0.674 11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.061 2.074 13.205 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.936 0.389 13.670 1.00 0.00 H new ATOM 98 N ASN A 8 11.084 3.076 11.711 1.00 0.00 N ATOM 99 CA ASN A 8 12.051 4.173 11.418 1.00 0.00 C ATOM 100 C ASN A 8 12.902 4.459 12.657 1.00 0.00 C ATOM 101 O ASN A 8 13.773 5.307 12.633 1.00 0.00 O ATOM 102 CB ASN A 8 11.284 5.437 11.024 1.00 0.00 C ATOM 103 CG ASN A 8 10.731 5.281 9.607 1.00 0.00 C ATOM 104 OD1 ASN A 8 11.469 5.353 8.644 1.00 0.00 O ATOM 105 ND2 ASN A 8 9.455 5.070 9.437 1.00 0.00 N ATOM 0 H ASN A 8 10.104 3.358 11.740 1.00 0.00 H new ATOM 0 HA ASN A 8 12.701 3.869 10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.469 5.614 11.726 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.942 6.304 11.075 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.076 4.965 8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.836 5.010 10.245 1.00 0.00 H new ATOM 112 N ARG A 9 12.656 3.763 13.738 1.00 0.00 N ATOM 113 CA ARG A 9 13.446 3.991 14.990 1.00 0.00 C ATOM 114 C ARG A 9 14.405 2.817 15.199 1.00 0.00 C ATOM 115 O ARG A 9 15.526 2.827 14.729 1.00 0.00 O ATOM 116 CB ARG A 9 12.495 4.082 16.190 1.00 0.00 C ATOM 117 CG ARG A 9 11.627 5.352 16.092 1.00 0.00 C ATOM 118 CD ARG A 9 10.428 5.123 15.161 1.00 0.00 C ATOM 119 NE ARG A 9 9.433 6.212 15.362 1.00 0.00 N ATOM 120 CZ ARG A 9 8.488 6.400 14.481 1.00 0.00 C ATOM 121 NH1 ARG A 9 8.421 5.639 13.423 1.00 0.00 N ATOM 122 NH2 ARG A 9 7.611 7.350 14.657 1.00 0.00 N ATOM 0 H ARG A 9 11.938 3.042 13.809 1.00 0.00 H new ATOM 0 HA ARG A 9 14.009 4.920 14.900 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.857 3.199 16.224 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.069 4.096 17.117 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.274 5.634 17.084 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.229 6.181 15.720 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.758 5.104 14.122 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.972 4.155 15.368 1.00 0.00 H new ATOM 0 HE ARG A 9 9.489 6.810 16.186 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.107 4.897 13.284 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.683 5.786 12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.664 7.946 15.483 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.873 7.497 13.968 1.00 0.00 H new ATOM 136 N GLY A 10 13.974 1.806 15.901 1.00 0.00 N ATOM 137 CA GLY A 10 14.862 0.632 16.138 1.00 0.00 C ATOM 138 C GLY A 10 14.034 -0.543 16.663 1.00 0.00 C ATOM 139 O GLY A 10 14.561 -1.491 17.208 1.00 0.00 O ATOM 0 H GLY A 10 13.047 1.741 16.321 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.364 0.351 15.212 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.640 0.891 16.856 1.00 0.00 H new ATOM 143 N ARG A 11 12.740 -0.486 16.502 1.00 0.00 N ATOM 144 CA ARG A 11 11.873 -1.596 16.989 1.00 0.00 C ATOM 145 C ARG A 11 11.813 -2.693 15.925 1.00 0.00 C ATOM 146 O ARG A 11 12.435 -2.592 14.887 1.00 0.00 O ATOM 147 CB ARG A 11 10.468 -1.056 17.250 1.00 0.00 C ATOM 148 CG ARG A 11 10.466 -0.246 18.550 1.00 0.00 C ATOM 149 CD ARG A 11 9.065 0.312 18.810 1.00 0.00 C ATOM 150 NE ARG A 11 8.504 0.857 17.542 1.00 0.00 N ATOM 151 CZ ARG A 11 7.234 1.140 17.456 1.00 0.00 C ATOM 152 NH1 ARG A 11 6.453 0.953 18.484 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.744 1.608 16.341 1.00 0.00 N ATOM 0 H ARG A 11 12.245 0.284 16.053 1.00 0.00 H new ATOM 0 HA ARG A 11 12.282 -2.009 17.911 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.147 -0.429 16.418 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.758 -1.880 17.321 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.777 -0.877 19.383 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.186 0.570 18.482 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.416 -0.472 19.200 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.109 1.095 19.567 1.00 0.00 H new ATOM 0 HE ARG A 11 9.115 1.009 16.739 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.836 0.585 19.355 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.460 1.174 18.417 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.354 1.752 15.537 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.751 1.829 16.274 1.00 0.00 H new ATOM 167 N ILE A 12 11.068 -3.743 16.177 1.00 0.00 N ATOM 168 CA ILE A 12 10.960 -4.863 15.186 1.00 0.00 C ATOM 169 C ILE A 12 9.530 -4.949 14.647 1.00 0.00 C ATOM 170 O ILE A 12 8.601 -5.239 15.374 1.00 0.00 O ATOM 171 CB ILE A 12 11.289 -6.192 15.876 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.648 -6.099 16.585 1.00 0.00 C ATOM 173 CG2 ILE A 12 11.328 -7.317 14.839 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.728 -5.619 15.610 1.00 0.00 C ATOM 0 H ILE A 12 10.527 -3.874 17.032 1.00 0.00 H new ATOM 0 HA ILE A 12 11.657 -4.674 14.370 1.00 0.00 H new ATOM 0 HB ILE A 12 10.517 -6.405 16.615 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.579 -5.412 17.428 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.922 -7.073 16.990 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.562 -8.260 15.334 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.357 -7.395 14.350 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.093 -7.099 14.094 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.685 -5.558 16.128 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.808 -6.322 14.781 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.460 -4.635 15.226 1.00 0.00 H new ATOM 186 N LEU A 13 9.348 -4.737 13.371 1.00 0.00 N ATOM 187 CA LEU A 13 7.980 -4.845 12.784 1.00 0.00 C ATOM 188 C LEU A 13 7.754 -6.315 12.423 1.00 0.00 C ATOM 189 O LEU A 13 8.659 -6.988 11.970 1.00 0.00 O ATOM 190 CB LEU A 13 7.890 -3.976 11.514 1.00 0.00 C ATOM 191 CG LEU A 13 7.486 -2.532 11.880 1.00 0.00 C ATOM 192 CD1 LEU A 13 7.957 -1.569 10.785 1.00 0.00 C ATOM 193 CD2 LEU A 13 5.960 -2.425 12.007 1.00 0.00 C ATOM 0 H LEU A 13 10.086 -4.494 12.710 1.00 0.00 H new ATOM 0 HA LEU A 13 7.226 -4.501 13.492 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.851 -3.973 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.160 -4.401 10.825 1.00 0.00 H new ATOM 0 HG LEU A 13 7.951 -2.272 12.831 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.670 -0.551 11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.041 -1.627 10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.495 -1.843 9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.687 -1.402 12.265 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.496 -2.696 11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.612 -3.102 12.787 1.00 0.00 H new ATOM 205 N LYS A 14 6.572 -6.835 12.627 1.00 0.00 N ATOM 206 CA LYS A 14 6.340 -8.274 12.299 1.00 0.00 C ATOM 207 C LYS A 14 5.912 -8.411 10.838 1.00 0.00 C ATOM 208 O LYS A 14 5.619 -7.441 10.167 1.00 0.00 O ATOM 209 CB LYS A 14 5.251 -8.852 13.229 1.00 0.00 C ATOM 210 CG LYS A 14 5.538 -10.338 13.524 1.00 0.00 C ATOM 211 CD LYS A 14 6.612 -10.460 14.627 1.00 0.00 C ATOM 212 CE LYS A 14 7.427 -11.747 14.437 1.00 0.00 C ATOM 213 NZ LYS A 14 6.547 -12.815 13.884 1.00 0.00 N ATOM 0 H LYS A 14 5.766 -6.334 13.002 1.00 0.00 H new ATOM 0 HA LYS A 14 7.265 -8.831 12.448 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.221 -8.288 14.161 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.271 -8.749 12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.622 -10.838 13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.878 -10.838 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.274 -9.595 14.597 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.137 -10.464 15.608 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.263 -11.564 13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.850 -12.066 15.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.921 -13.747 14.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.585 -12.704 14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.520 -12.740 12.847 1.00 0.00 H new ATOM 227 N THR A 15 5.884 -9.615 10.347 1.00 0.00 N ATOM 228 CA THR A 15 5.488 -9.834 8.929 1.00 0.00 C ATOM 229 C THR A 15 4.136 -9.165 8.672 1.00 0.00 C ATOM 230 O THR A 15 3.379 -8.903 9.584 1.00 0.00 O ATOM 231 CB THR A 15 5.381 -11.342 8.648 1.00 0.00 C ATOM 232 OG1 THR A 15 6.430 -12.019 9.325 1.00 0.00 O ATOM 233 CG2 THR A 15 5.494 -11.604 7.141 1.00 0.00 C ATOM 0 H THR A 15 6.119 -10.461 10.867 1.00 0.00 H new ATOM 0 HA THR A 15 6.240 -9.400 8.270 1.00 0.00 H new ATOM 0 HB THR A 15 4.416 -11.706 9.001 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.365 -12.981 9.150 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.417 -12.675 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.690 -11.084 6.620 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.455 -11.239 6.779 1.00 0.00 H new ATOM 241 N GLY A 16 3.827 -8.885 7.436 1.00 0.00 N ATOM 242 CA GLY A 16 2.525 -8.234 7.128 1.00 0.00 C ATOM 243 C GLY A 16 2.622 -6.739 7.436 1.00 0.00 C ATOM 244 O GLY A 16 2.088 -5.914 6.723 1.00 0.00 O ATOM 0 H GLY A 16 4.419 -9.079 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.269 -8.385 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.730 -8.688 7.719 1.00 0.00 H new ATOM 248 N GLU A 17 3.297 -6.386 8.498 1.00 0.00 N ATOM 249 CA GLU A 17 3.428 -4.944 8.866 1.00 0.00 C ATOM 250 C GLU A 17 4.691 -4.358 8.232 1.00 0.00 C ATOM 251 O GLU A 17 5.702 -5.019 8.103 1.00 0.00 O ATOM 252 CB GLU A 17 3.524 -4.821 10.388 1.00 0.00 C ATOM 253 CG GLU A 17 2.421 -5.658 11.038 1.00 0.00 C ATOM 254 CD GLU A 17 2.474 -5.489 12.557 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.562 -5.559 13.104 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.425 -5.294 13.149 1.00 0.00 O ATOM 0 H GLU A 17 3.765 -7.036 9.129 1.00 0.00 H new ATOM 0 HA GLU A 17 2.557 -4.398 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.502 -5.160 10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.426 -3.777 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.446 -5.348 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.545 -6.708 10.775 1.00 0.00 H new ATOM 263 N SER A 18 4.636 -3.115 7.838 1.00 0.00 N ATOM 264 CA SER A 18 5.824 -2.467 7.214 1.00 0.00 C ATOM 265 C SER A 18 5.593 -0.956 7.157 1.00 0.00 C ATOM 266 O SER A 18 4.863 -0.404 7.955 1.00 0.00 O ATOM 267 CB SER A 18 6.019 -3.008 5.798 1.00 0.00 C ATOM 268 OG SER A 18 6.005 -4.429 5.831 1.00 0.00 O ATOM 0 H SER A 18 3.814 -2.517 7.922 1.00 0.00 H new ATOM 0 HA SER A 18 6.714 -2.683 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.228 -2.640 5.144 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.964 -2.652 5.387 1.00 0.00 H new ATOM 0 HG SER A 18 6.444 -4.742 6.650 1.00 0.00 H new ATOM 274 N GLN A 19 6.200 -0.278 6.216 1.00 0.00 N ATOM 275 CA GLN A 19 5.999 1.201 6.112 1.00 0.00 C ATOM 276 C GLN A 19 6.055 1.632 4.646 1.00 0.00 C ATOM 277 O GLN A 19 6.384 0.856 3.770 1.00 0.00 O ATOM 278 CB GLN A 19 7.088 1.935 6.901 1.00 0.00 C ATOM 279 CG GLN A 19 8.466 1.342 6.575 1.00 0.00 C ATOM 280 CD GLN A 19 8.694 0.076 7.403 1.00 0.00 C ATOM 281 OE1 GLN A 19 8.906 0.185 8.686 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 8.680 -1.020 6.879 1.00 0.00 N flip ATOM 0 H GLN A 19 6.824 -0.682 5.517 1.00 0.00 H new ATOM 0 HA GLN A 19 5.023 1.453 6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.073 2.997 6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.892 1.853 7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.530 1.109 5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.246 2.073 6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.514 -1.104 5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.834 -1.856 7.442 1.00 0.00 H new ATOM 291 N ARG A 20 5.727 2.873 4.379 1.00 0.00 N ATOM 292 CA ARG A 20 5.740 3.395 2.976 1.00 0.00 C ATOM 293 C ARG A 20 6.744 4.548 2.874 1.00 0.00 C ATOM 294 O ARG A 20 7.602 4.713 3.719 1.00 0.00 O ATOM 295 CB ARG A 20 4.336 3.909 2.626 1.00 0.00 C ATOM 296 CG ARG A 20 3.355 2.718 2.421 1.00 0.00 C ATOM 297 CD ARG A 20 2.876 2.661 0.963 1.00 0.00 C ATOM 298 NE ARG A 20 2.313 3.984 0.576 1.00 0.00 N ATOM 299 CZ ARG A 20 2.122 4.268 -0.683 1.00 0.00 C ATOM 300 NH1 ARG A 20 2.434 3.395 -1.602 1.00 0.00 N ATOM 301 NH2 ARG A 20 1.623 5.425 -1.023 1.00 0.00 N ATOM 0 H ARG A 20 5.447 3.556 5.083 1.00 0.00 H new ATOM 0 HA ARG A 20 6.028 2.602 2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.970 4.556 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.379 4.513 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.849 1.783 2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.499 2.825 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.706 2.400 0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.121 1.884 0.847 1.00 0.00 H new ATOM 0 HE ARG A 20 2.077 4.668 1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.827 2.492 -1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.285 3.616 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.382 6.108 -0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.474 5.647 -2.007 1.00 0.00 H new ATOM 315 N LYS A 21 6.644 5.345 1.845 1.00 0.00 N ATOM 316 CA LYS A 21 7.594 6.483 1.689 1.00 0.00 C ATOM 317 C LYS A 21 7.284 7.565 2.727 1.00 0.00 C ATOM 318 O LYS A 21 8.147 8.322 3.122 1.00 0.00 O ATOM 319 CB LYS A 21 7.450 7.074 0.284 1.00 0.00 C ATOM 320 CG LYS A 21 7.403 5.945 -0.757 1.00 0.00 C ATOM 321 CD LYS A 21 7.681 6.507 -2.169 1.00 0.00 C ATOM 322 CE LYS A 21 9.180 6.432 -2.489 1.00 0.00 C ATOM 323 NZ LYS A 21 9.941 7.331 -1.576 1.00 0.00 N ATOM 0 H LYS A 21 5.946 5.257 1.106 1.00 0.00 H new ATOM 0 HA LYS A 21 8.613 6.124 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.542 7.674 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.286 7.740 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.141 5.182 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.426 5.462 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.116 5.942 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.341 7.541 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.533 5.406 -2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.354 6.721 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.901 7.474 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.456 8.248 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.998 6.899 -0.632 1.00 0.00 H new ATOM 337 N ASP A 22 6.058 7.649 3.169 1.00 0.00 N ATOM 338 CA ASP A 22 5.698 8.689 4.177 1.00 0.00 C ATOM 339 C ASP A 22 6.080 8.197 5.577 1.00 0.00 C ATOM 340 O ASP A 22 5.858 8.871 6.564 1.00 0.00 O ATOM 341 CB ASP A 22 4.192 8.956 4.117 1.00 0.00 C ATOM 342 CG ASP A 22 3.744 9.020 2.656 1.00 0.00 C ATOM 343 OD1 ASP A 22 3.837 8.007 1.983 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.316 10.082 2.234 1.00 0.00 O ATOM 0 H ASP A 22 5.291 7.044 2.877 1.00 0.00 H new ATOM 0 HA ASP A 22 6.237 9.611 3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.651 8.168 4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.957 9.893 4.622 1.00 0.00 H new ATOM 349 N GLY A 23 6.652 7.029 5.668 1.00 0.00 N ATOM 350 CA GLY A 23 7.050 6.493 6.999 1.00 0.00 C ATOM 351 C GLY A 23 5.816 5.965 7.726 1.00 0.00 C ATOM 352 O GLY A 23 5.909 5.387 8.792 1.00 0.00 O ATOM 0 H GLY A 23 6.861 6.421 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.782 5.695 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.526 7.275 7.590 1.00 0.00 H new ATOM 356 N ARG A 24 4.656 6.152 7.160 1.00 0.00 N ATOM 357 CA ARG A 24 3.423 5.654 7.826 1.00 0.00 C ATOM 358 C ARG A 24 3.430 4.123 7.797 1.00 0.00 C ATOM 359 O ARG A 24 3.950 3.517 6.882 1.00 0.00 O ATOM 360 CB ARG A 24 2.180 6.208 7.099 1.00 0.00 C ATOM 361 CG ARG A 24 1.859 5.384 5.827 1.00 0.00 C ATOM 362 CD ARG A 24 1.219 6.265 4.729 1.00 0.00 C ATOM 363 NE ARG A 24 0.542 7.467 5.323 1.00 0.00 N ATOM 364 CZ ARG A 24 -0.357 7.356 6.261 1.00 0.00 C ATOM 365 NH1 ARG A 24 -0.752 6.181 6.656 1.00 0.00 N ATOM 366 NH2 ARG A 24 -0.883 8.426 6.787 1.00 0.00 N ATOM 0 H ARG A 24 4.510 6.626 6.269 1.00 0.00 H new ATOM 0 HA ARG A 24 3.392 5.992 8.862 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.323 6.189 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.349 7.250 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.774 4.931 5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.182 4.568 6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.986 6.587 4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.494 5.678 4.165 1.00 0.00 H new ATOM 0 HE ARG A 24 0.792 8.396 4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.358 5.341 6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.455 6.100 7.390 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.591 9.349 6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.586 8.341 7.521 1.00 0.00 H new ATOM 380 N TYR A 25 2.867 3.490 8.787 1.00 0.00 N ATOM 381 CA TYR A 25 2.861 2.002 8.796 1.00 0.00 C ATOM 382 C TYR A 25 1.801 1.482 7.820 1.00 0.00 C ATOM 383 O TYR A 25 0.822 2.147 7.534 1.00 0.00 O ATOM 384 CB TYR A 25 2.570 1.496 10.210 1.00 0.00 C ATOM 385 CG TYR A 25 3.665 1.970 11.144 1.00 0.00 C ATOM 386 CD1 TYR A 25 4.983 1.522 10.965 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.368 2.859 12.187 1.00 0.00 C ATOM 388 CE1 TYR A 25 5.996 1.962 11.823 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.385 3.299 13.045 1.00 0.00 C ATOM 390 CZ TYR A 25 5.698 2.850 12.863 1.00 0.00 C ATOM 391 OH TYR A 25 6.698 3.284 13.709 1.00 0.00 O ATOM 0 H TYR A 25 2.414 3.935 9.585 1.00 0.00 H new ATOM 0 HA TYR A 25 3.838 1.635 8.483 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.602 1.864 10.549 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.517 0.407 10.216 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.215 0.836 10.163 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.355 3.205 12.329 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.009 1.616 11.683 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.155 3.985 13.847 1.00 0.00 H new ATOM 0 HH TYR A 25 6.321 3.897 14.374 1.00 0.00 H new ATOM 401 N LEU A 26 1.999 0.296 7.299 1.00 0.00 N ATOM 402 CA LEU A 26 1.023 -0.288 6.326 1.00 0.00 C ATOM 403 C LEU A 26 0.933 -1.800 6.566 1.00 0.00 C ATOM 404 O LEU A 26 1.916 -2.508 6.470 1.00 0.00 O ATOM 405 CB LEU A 26 1.521 -0.003 4.888 1.00 0.00 C ATOM 406 CG LEU A 26 0.852 -0.937 3.858 1.00 0.00 C ATOM 407 CD1 LEU A 26 -0.670 -0.805 3.939 1.00 0.00 C ATOM 408 CD2 LEU A 26 1.309 -0.549 2.447 1.00 0.00 C ATOM 0 H LEU A 26 2.802 -0.298 7.508 1.00 0.00 H new ATOM 0 HA LEU A 26 0.036 0.156 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.311 1.035 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.603 -0.129 4.846 1.00 0.00 H new ATOM 0 HG LEU A 26 1.139 -1.966 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.132 -1.468 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.006 -1.077 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.958 0.225 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.837 -1.208 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.023 0.483 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.392 -0.646 2.376 1.00 0.00 H new ATOM 420 N TYR A 27 -0.243 -2.300 6.854 1.00 0.00 N ATOM 421 CA TYR A 27 -0.411 -3.770 7.078 1.00 0.00 C ATOM 422 C TYR A 27 -1.039 -4.378 5.829 1.00 0.00 C ATOM 423 O TYR A 27 -2.222 -4.233 5.576 1.00 0.00 O ATOM 424 CB TYR A 27 -1.327 -4.014 8.282 1.00 0.00 C ATOM 425 CG TYR A 27 -1.675 -5.483 8.386 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.667 -6.420 8.645 1.00 0.00 C ATOM 427 CD2 TYR A 27 -3.002 -5.907 8.241 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.987 -7.778 8.758 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.319 -7.267 8.352 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.311 -8.201 8.611 1.00 0.00 C ATOM 431 OH TYR A 27 -2.622 -9.541 8.719 1.00 0.00 O ATOM 0 H TYR A 27 -1.098 -1.751 6.944 1.00 0.00 H new ATOM 0 HA TYR A 27 0.558 -4.228 7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.833 -3.684 9.196 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.238 -3.424 8.181 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.357 -6.095 8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.781 -5.185 8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.210 -8.500 8.959 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.342 -7.594 8.238 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.586 -9.664 8.592 1.00 0.00 H new ATOM 441 N LYS A 28 -0.246 -5.050 5.040 1.00 0.00 N ATOM 442 CA LYS A 28 -0.764 -5.686 3.794 1.00 0.00 C ATOM 443 C LYS A 28 -0.984 -7.173 4.054 1.00 0.00 C ATOM 444 O LYS A 28 -0.143 -7.844 4.618 1.00 0.00 O ATOM 445 CB LYS A 28 0.263 -5.503 2.674 1.00 0.00 C ATOM 446 CG LYS A 28 -0.387 -5.755 1.312 1.00 0.00 C ATOM 447 CD LYS A 28 0.566 -5.288 0.207 1.00 0.00 C ATOM 448 CE LYS A 28 -0.104 -5.439 -1.163 1.00 0.00 C ATOM 449 NZ LYS A 28 0.056 -6.842 -1.638 1.00 0.00 N ATOM 0 H LYS A 28 0.751 -5.187 5.207 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.706 -5.224 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.672 -4.493 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.097 -6.190 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.610 -6.815 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.334 -5.220 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.844 -4.247 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.485 -5.873 0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.162 -5.185 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.343 -4.748 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.455 -6.965 -2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.065 -7.046 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.330 -7.495 -0.927 1.00 0.00 H new ATOM 463 N TYR A 29 -2.102 -7.699 3.647 1.00 0.00 N ATOM 464 CA TYR A 29 -2.357 -9.151 3.876 1.00 0.00 C ATOM 465 C TYR A 29 -3.387 -9.669 2.871 1.00 0.00 C ATOM 466 O TYR A 29 -4.403 -9.048 2.627 1.00 0.00 O ATOM 467 CB TYR A 29 -2.869 -9.370 5.305 1.00 0.00 C ATOM 468 CG TYR A 29 -4.257 -8.793 5.458 1.00 0.00 C ATOM 469 CD1 TYR A 29 -4.425 -7.417 5.653 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.376 -9.635 5.418 1.00 0.00 C ATOM 471 CE1 TYR A 29 -5.709 -6.882 5.805 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.662 -9.100 5.571 1.00 0.00 C ATOM 473 CZ TYR A 29 -6.829 -7.723 5.765 1.00 0.00 C ATOM 474 OH TYR A 29 -8.095 -7.195 5.916 1.00 0.00 O ATOM 0 H TYR A 29 -2.848 -7.193 3.169 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.425 -9.699 3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.883 -10.436 5.534 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.191 -8.900 6.018 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.563 -6.768 5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.247 -10.697 5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.837 -5.820 5.953 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.524 -9.749 5.539 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.640 -7.425 5.135 1.00 0.00 H new ATOM 484 N ILE A 30 -3.130 -10.811 2.295 1.00 0.00 N ATOM 485 CA ILE A 30 -4.089 -11.389 1.315 1.00 0.00 C ATOM 486 C ILE A 30 -5.311 -11.894 2.083 1.00 0.00 C ATOM 487 O ILE A 30 -5.205 -12.753 2.937 1.00 0.00 O ATOM 488 CB ILE A 30 -3.427 -12.559 0.564 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.006 -12.179 0.089 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.280 -12.960 -0.643 1.00 0.00 C ATOM 491 CD1 ILE A 30 -2.054 -11.282 -1.153 1.00 0.00 C ATOM 0 H ILE A 30 -2.293 -11.370 2.462 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.386 -10.632 0.589 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.350 -13.401 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.478 -11.664 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.441 -13.084 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.803 -13.788 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.269 -13.267 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.376 -12.110 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.039 -11.033 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.560 -11.808 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.597 -10.366 -0.920 1.00 0.00 H new ATOM 503 N ASP A 31 -6.467 -11.358 1.803 1.00 0.00 N ATOM 504 CA ASP A 31 -7.687 -11.800 2.537 1.00 0.00 C ATOM 505 C ASP A 31 -8.227 -13.093 1.929 1.00 0.00 C ATOM 506 O ASP A 31 -7.791 -13.534 0.885 1.00 0.00 O ATOM 507 CB ASP A 31 -8.761 -10.714 2.441 1.00 0.00 C ATOM 508 CG ASP A 31 -8.169 -9.369 2.860 1.00 0.00 C ATOM 509 OD1 ASP A 31 -6.957 -9.286 2.970 1.00 0.00 O ATOM 510 OD2 ASP A 31 -8.938 -8.444 3.062 1.00 0.00 O ATOM 0 H ASP A 31 -6.620 -10.635 1.100 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.427 -11.975 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.141 -10.654 1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.606 -10.966 3.082 1.00 0.00 H new ATOM 515 N SER A 32 -9.178 -13.702 2.583 1.00 0.00 N ATOM 516 CA SER A 32 -9.761 -14.969 2.062 1.00 0.00 C ATOM 517 C SER A 32 -10.575 -14.682 0.799 1.00 0.00 C ATOM 518 O SER A 32 -11.341 -15.508 0.345 1.00 0.00 O ATOM 519 CB SER A 32 -10.675 -15.574 3.123 1.00 0.00 C ATOM 520 OG SER A 32 -9.912 -15.873 4.284 1.00 0.00 O ATOM 0 H SER A 32 -9.578 -13.373 3.462 1.00 0.00 H new ATOM 0 HA SER A 32 -8.958 -15.666 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.476 -14.877 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.146 -16.479 2.740 1.00 0.00 H new ATOM 0 HG SER A 32 -10.496 -16.260 4.969 1.00 0.00 H new ATOM 526 N PHE A 33 -10.415 -13.519 0.227 1.00 0.00 N ATOM 527 CA PHE A 33 -11.175 -13.174 -1.009 1.00 0.00 C ATOM 528 C PHE A 33 -10.281 -13.447 -2.218 1.00 0.00 C ATOM 529 O PHE A 33 -10.750 -13.746 -3.300 1.00 0.00 O ATOM 530 CB PHE A 33 -11.547 -11.684 -0.965 1.00 0.00 C ATOM 531 CG PHE A 33 -12.818 -11.493 -0.163 1.00 0.00 C ATOM 532 CD1 PHE A 33 -14.059 -11.790 -0.738 1.00 0.00 C ATOM 533 CD2 PHE A 33 -12.752 -11.024 1.155 1.00 0.00 C ATOM 534 CE1 PHE A 33 -15.234 -11.617 0.002 1.00 0.00 C ATOM 535 CE2 PHE A 33 -13.928 -10.851 1.896 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.169 -11.148 1.320 1.00 0.00 C ATOM 0 H PHE A 33 -9.787 -12.789 0.565 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.084 -13.771 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.735 -11.111 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.685 -11.305 -1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -14.110 -12.153 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.795 -10.796 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -16.191 -11.845 -0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.877 -10.488 2.912 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.076 -11.016 1.892 1.00 0.00 H new ATOM 546 N GLY A 34 -8.994 -13.340 -2.038 1.00 0.00 N ATOM 547 CA GLY A 34 -8.042 -13.587 -3.161 1.00 0.00 C ATOM 548 C GLY A 34 -7.582 -12.245 -3.726 1.00 0.00 C ATOM 549 O GLY A 34 -7.302 -12.119 -4.902 1.00 0.00 O ATOM 0 H GLY A 34 -8.555 -13.089 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.185 -14.161 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.524 -14.178 -3.940 1.00 0.00 H new ATOM 553 N GLU A 35 -7.504 -11.236 -2.897 1.00 0.00 N ATOM 554 CA GLU A 35 -7.065 -9.895 -3.389 1.00 0.00 C ATOM 555 C GLU A 35 -6.390 -9.123 -2.232 1.00 0.00 C ATOM 556 O GLU A 35 -7.012 -8.887 -1.215 1.00 0.00 O ATOM 557 CB GLU A 35 -8.291 -9.111 -3.887 1.00 0.00 C ATOM 558 CG GLU A 35 -9.508 -9.488 -3.049 1.00 0.00 C ATOM 559 CD GLU A 35 -10.697 -8.613 -3.449 1.00 0.00 C ATOM 560 OE1 GLU A 35 -11.426 -9.012 -4.342 1.00 0.00 O ATOM 561 OE2 GLU A 35 -10.858 -7.560 -2.856 1.00 0.00 O ATOM 0 H GLU A 35 -7.725 -11.282 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.355 -10.016 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.105 -8.039 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.476 -9.333 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.752 -10.540 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.287 -9.357 -1.990 1.00 0.00 H new ATOM 568 N PRO A 36 -5.139 -8.725 -2.368 1.00 0.00 N ATOM 569 CA PRO A 36 -4.426 -7.972 -1.294 1.00 0.00 C ATOM 570 C PRO A 36 -5.309 -6.909 -0.630 1.00 0.00 C ATOM 571 O PRO A 36 -6.214 -6.372 -1.236 1.00 0.00 O ATOM 572 CB PRO A 36 -3.259 -7.319 -2.037 1.00 0.00 C ATOM 573 CG PRO A 36 -2.931 -8.277 -3.136 1.00 0.00 C ATOM 574 CD PRO A 36 -4.258 -8.937 -3.539 1.00 0.00 C ATOM 0 HA PRO A 36 -4.118 -8.624 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.537 -6.342 -2.432 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.405 -7.165 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.481 -7.759 -3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.211 -9.023 -2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.673 -8.481 -4.438 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.127 -9.998 -3.752 1.00 0.00 H new ATOM 582 N GLN A 37 -5.039 -6.603 0.615 1.00 0.00 N ATOM 583 CA GLN A 37 -5.839 -5.571 1.348 1.00 0.00 C ATOM 584 C GLN A 37 -4.875 -4.563 1.978 1.00 0.00 C ATOM 585 O GLN A 37 -3.847 -4.932 2.515 1.00 0.00 O ATOM 586 CB GLN A 37 -6.663 -6.252 2.439 1.00 0.00 C ATOM 587 CG GLN A 37 -7.729 -5.283 2.956 1.00 0.00 C ATOM 588 CD GLN A 37 -8.815 -5.105 1.896 1.00 0.00 C ATOM 589 OE1 GLN A 37 -8.765 -4.182 1.107 1.00 0.00 O ATOM 590 NE2 GLN A 37 -9.803 -5.955 1.842 1.00 0.00 N ATOM 0 H GLN A 37 -4.290 -7.029 1.161 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.512 -5.057 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.135 -7.152 2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.014 -6.565 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.166 -5.665 3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.276 -4.320 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.846 -6.730 2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.533 -5.845 1.138 1.00 0.00 H new ATOM 599 N PHE A 38 -5.187 -3.291 1.897 1.00 0.00 N ATOM 600 CA PHE A 38 -4.281 -2.241 2.467 1.00 0.00 C ATOM 601 C PHE A 38 -4.905 -1.592 3.707 1.00 0.00 C ATOM 602 O PHE A 38 -6.031 -1.136 3.687 1.00 0.00 O ATOM 603 CB PHE A 38 -4.065 -1.142 1.411 1.00 0.00 C ATOM 604 CG PHE A 38 -2.979 -1.539 0.438 1.00 0.00 C ATOM 605 CD1 PHE A 38 -3.222 -2.534 -0.511 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.738 -0.888 0.465 1.00 0.00 C ATOM 607 CE1 PHE A 38 -2.234 -2.879 -1.427 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.743 -1.239 -0.453 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.991 -2.235 -1.401 1.00 0.00 C ATOM 0 H PHE A 38 -6.035 -2.933 1.458 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.339 -2.714 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.995 -0.962 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.795 -0.207 1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.178 -3.036 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.550 -0.115 1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.426 -3.647 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.215 -0.741 -0.429 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.225 -2.508 -2.112 1.00 0.00 H new ATOM 619 N VAL A 39 -4.145 -1.501 4.768 1.00 0.00 N ATOM 620 CA VAL A 39 -4.630 -0.828 6.012 1.00 0.00 C ATOM 621 C VAL A 39 -3.527 0.147 6.440 1.00 0.00 C ATOM 622 O VAL A 39 -2.436 -0.253 6.793 1.00 0.00 O ATOM 623 CB VAL A 39 -4.894 -1.870 7.103 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.054 -1.179 8.464 1.00 0.00 C ATOM 625 CG2 VAL A 39 -6.179 -2.628 6.763 1.00 0.00 C ATOM 0 H VAL A 39 -3.196 -1.869 4.826 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.566 -0.297 5.841 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.053 -2.562 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.241 -1.929 9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.142 -0.633 8.704 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.893 -0.484 8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.377 -3.373 7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.012 -1.927 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.064 -3.124 5.799 1.00 0.00 H new ATOM 635 N TYR A 40 -3.788 1.429 6.362 1.00 0.00 N ATOM 636 CA TYR A 40 -2.739 2.440 6.707 1.00 0.00 C ATOM 637 C TYR A 40 -2.946 2.985 8.123 1.00 0.00 C ATOM 638 O TYR A 40 -3.996 2.834 8.717 1.00 0.00 O ATOM 639 CB TYR A 40 -2.839 3.614 5.727 1.00 0.00 C ATOM 640 CG TYR A 40 -2.454 3.185 4.330 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.114 3.228 3.932 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.440 2.774 3.425 1.00 0.00 C ATOM 643 CE1 TYR A 40 -0.758 2.855 2.628 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.085 2.407 2.121 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.743 2.447 1.722 1.00 0.00 C ATOM 646 OH TYR A 40 -1.393 2.092 0.433 1.00 0.00 O ATOM 0 H TYR A 40 -4.685 1.820 6.074 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.764 1.957 6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.857 4.005 5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.187 4.424 6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.354 3.548 4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.475 2.740 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.278 2.883 2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.847 2.093 1.423 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.814 1.237 0.204 1.00 0.00 H new ATOM 656 N SER A 41 -1.940 3.628 8.657 1.00 0.00 N ATOM 657 CA SER A 41 -2.046 4.206 10.029 1.00 0.00 C ATOM 658 C SER A 41 -0.751 4.971 10.350 1.00 0.00 C ATOM 659 O SER A 41 0.093 5.150 9.495 1.00 0.00 O ATOM 660 CB SER A 41 -2.265 3.069 11.043 1.00 0.00 C ATOM 661 OG SER A 41 -1.301 3.158 12.087 1.00 0.00 O ATOM 0 H SER A 41 -1.042 3.778 8.197 1.00 0.00 H new ATOM 0 HA SER A 41 -2.890 4.894 10.086 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.271 3.130 11.459 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.184 2.104 10.543 1.00 0.00 H new ATOM 0 HG SER A 41 -1.743 3.433 12.918 1.00 0.00 H new ATOM 667 N TRP A 42 -0.590 5.426 11.572 1.00 0.00 N ATOM 668 CA TRP A 42 0.650 6.184 11.950 1.00 0.00 C ATOM 669 C TRP A 42 1.198 5.643 13.275 1.00 0.00 C ATOM 670 O TRP A 42 2.390 5.486 13.451 1.00 0.00 O ATOM 671 CB TRP A 42 0.306 7.668 12.147 1.00 0.00 C ATOM 672 CG TRP A 42 0.175 8.363 10.833 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.987 8.823 10.313 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.219 8.709 9.875 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.721 9.436 9.102 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.623 9.387 8.786 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.612 8.501 9.846 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.380 9.845 7.708 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.377 8.960 8.760 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.762 9.632 7.694 1.00 0.00 C ATOM 0 H TRP A 42 -1.266 5.305 12.326 1.00 0.00 H new ATOM 0 HA TRP A 42 1.390 6.068 11.158 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.626 7.758 12.705 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.082 8.150 12.742 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.961 8.727 10.769 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.431 9.872 8.513 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.095 7.986 10.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.902 10.361 6.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.444 8.794 8.746 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.355 9.985 6.863 1.00 0.00 H new ATOM 691 N LYS A 43 0.334 5.394 14.222 1.00 0.00 N ATOM 692 CA LYS A 43 0.788 4.904 15.558 1.00 0.00 C ATOM 693 C LYS A 43 0.818 3.372 15.565 1.00 0.00 C ATOM 694 O LYS A 43 -0.174 2.725 15.298 1.00 0.00 O ATOM 695 CB LYS A 43 -0.189 5.384 16.654 1.00 0.00 C ATOM 696 CG LYS A 43 -0.613 6.854 16.423 1.00 0.00 C ATOM 697 CD LYS A 43 -1.994 7.116 17.052 1.00 0.00 C ATOM 698 CE LYS A 43 -1.885 7.120 18.575 1.00 0.00 C ATOM 699 NZ LYS A 43 -1.051 8.275 19.008 1.00 0.00 N ATOM 0 H LYS A 43 -0.675 5.510 14.128 1.00 0.00 H new ATOM 0 HA LYS A 43 1.786 5.297 15.754 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.072 4.745 16.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.283 5.288 17.632 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.126 7.526 16.859 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.646 7.067 15.354 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.385 8.073 16.705 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.699 6.349 16.732 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.877 7.186 19.021 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.441 6.187 18.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.419 7.977 19.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.482 8.613 18.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.668 9.042 19.343 1.00 0.00 H new ATOM 713 N LEU A 44 1.938 2.785 15.893 1.00 0.00 N ATOM 714 CA LEU A 44 1.995 1.299 15.941 1.00 0.00 C ATOM 715 C LEU A 44 1.080 0.833 17.070 1.00 0.00 C ATOM 716 O LEU A 44 0.389 -0.157 16.958 1.00 0.00 O ATOM 717 CB LEU A 44 3.434 0.842 16.212 1.00 0.00 C ATOM 718 CG LEU A 44 3.510 -0.694 16.220 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.161 -1.254 14.829 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.932 -1.117 16.607 1.00 0.00 C ATOM 0 H LEU A 44 2.806 3.266 16.127 1.00 0.00 H new ATOM 0 HA LEU A 44 1.672 0.874 14.991 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.101 1.243 15.448 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.774 1.235 17.170 1.00 0.00 H new ATOM 0 HG LEU A 44 2.794 -1.089 16.941 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.219 -2.342 14.850 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.150 -0.950 14.557 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.866 -0.867 14.094 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.998 -2.205 16.616 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.641 -0.716 15.882 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.169 -0.731 17.598 1.00 0.00 H new ATOM 732 N VAL A 45 1.059 1.565 18.152 1.00 0.00 N ATOM 733 CA VAL A 45 0.183 1.208 19.307 1.00 0.00 C ATOM 734 C VAL A 45 -0.480 2.491 19.794 1.00 0.00 C ATOM 735 O VAL A 45 -0.001 3.579 19.545 1.00 0.00 O ATOM 736 CB VAL A 45 1.017 0.567 20.431 1.00 0.00 C ATOM 737 CG1 VAL A 45 1.993 -0.453 19.839 1.00 0.00 C ATOM 738 CG2 VAL A 45 1.804 1.649 21.182 1.00 0.00 C ATOM 0 H VAL A 45 1.619 2.407 18.287 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.573 0.483 19.006 1.00 0.00 H new ATOM 0 HB VAL A 45 0.344 0.063 21.125 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.580 -0.903 20.640 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.435 -1.231 19.318 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.660 0.047 19.137 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.391 1.187 21.976 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.471 2.161 20.488 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.110 2.368 21.616 1.00 0.00 H new ATOM 748 N ALA A 46 -1.583 2.382 20.463 1.00 0.00 N ATOM 749 CA ALA A 46 -2.274 3.606 20.932 1.00 0.00 C ATOM 750 C ALA A 46 -1.458 4.267 22.044 1.00 0.00 C ATOM 751 O ALA A 46 -1.883 4.359 23.178 1.00 0.00 O ATOM 752 CB ALA A 46 -3.675 3.226 21.420 1.00 0.00 C ATOM 0 H ALA A 46 -2.037 1.502 20.706 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.369 4.324 20.117 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.194 4.119 21.768 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.236 2.776 20.601 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.594 2.511 22.239 1.00 0.00 H new ATOM 758 N THR A 47 -0.288 4.742 21.709 1.00 0.00 N ATOM 759 CA THR A 47 0.574 5.419 22.718 1.00 0.00 C ATOM 760 C THR A 47 1.466 6.445 22.010 1.00 0.00 C ATOM 761 O THR A 47 1.814 7.470 22.563 1.00 0.00 O ATOM 762 CB THR A 47 1.447 4.384 23.430 1.00 0.00 C ATOM 763 OG1 THR A 47 0.641 3.285 23.832 1.00 0.00 O ATOM 764 CG2 THR A 47 2.086 5.024 24.660 1.00 0.00 C ATOM 0 H THR A 47 0.110 4.689 20.771 1.00 0.00 H new ATOM 0 HA THR A 47 -0.053 5.923 23.454 1.00 0.00 H new ATOM 0 HB THR A 47 2.227 4.034 22.754 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.198 2.620 24.287 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.709 4.289 25.170 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.701 5.870 24.352 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.305 5.370 25.337 1.00 0.00 H new ATOM 772 N ASP A 48 1.834 6.175 20.785 1.00 0.00 N ATOM 773 CA ASP A 48 2.696 7.127 20.028 1.00 0.00 C ATOM 774 C ASP A 48 1.877 8.387 19.703 1.00 0.00 C ATOM 775 O ASP A 48 0.897 8.676 20.360 1.00 0.00 O ATOM 776 CB ASP A 48 3.175 6.430 18.738 1.00 0.00 C ATOM 777 CG ASP A 48 4.467 5.652 19.009 1.00 0.00 C ATOM 778 OD1 ASP A 48 4.714 5.335 20.161 1.00 0.00 O ATOM 779 OD2 ASP A 48 5.187 5.389 18.060 1.00 0.00 O ATOM 0 H ASP A 48 1.573 5.331 20.275 1.00 0.00 H new ATOM 0 HA ASP A 48 3.566 7.422 20.615 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.403 5.752 18.373 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.344 7.171 17.956 1.00 0.00 H new ATOM 784 N ARG A 49 2.271 9.143 18.703 1.00 0.00 N ATOM 785 CA ARG A 49 1.517 10.386 18.338 1.00 0.00 C ATOM 786 C ARG A 49 1.334 10.437 16.817 1.00 0.00 C ATOM 787 O ARG A 49 1.501 9.448 16.136 1.00 0.00 O ATOM 788 CB ARG A 49 2.308 11.609 18.805 1.00 0.00 C ATOM 789 CG ARG A 49 2.335 11.635 20.340 1.00 0.00 C ATOM 790 CD ARG A 49 0.922 11.893 20.906 1.00 0.00 C ATOM 791 NE ARG A 49 1.008 12.821 22.078 1.00 0.00 N ATOM 792 CZ ARG A 49 1.886 12.631 23.030 1.00 0.00 C ATOM 793 NH1 ARG A 49 2.611 11.548 23.059 1.00 0.00 N ATOM 794 NH2 ARG A 49 2.004 13.513 23.986 1.00 0.00 N ATOM 0 H ARG A 49 3.087 8.951 18.122 1.00 0.00 H new ATOM 0 HA ARG A 49 0.539 10.382 18.819 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.324 11.572 18.412 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.851 12.521 18.422 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.716 10.686 20.718 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.017 12.412 20.684 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.284 12.325 20.135 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.464 10.951 21.209 1.00 0.00 H new ATOM 0 HE ARG A 49 0.371 13.615 22.136 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.497 10.838 22.335 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.292 11.410 23.806 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.414 14.345 23.988 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.687 13.370 24.730 1.00 0.00 H new ATOM 808 N VAL A 50 0.991 11.583 16.279 1.00 0.00 N ATOM 809 CA VAL A 50 0.793 11.692 14.798 1.00 0.00 C ATOM 810 C VAL A 50 1.002 13.159 14.364 1.00 0.00 C ATOM 811 O VAL A 50 0.267 14.030 14.783 1.00 0.00 O ATOM 812 CB VAL A 50 -0.647 11.278 14.432 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.873 9.806 14.789 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.661 12.156 15.191 1.00 0.00 C ATOM 0 H VAL A 50 0.840 12.447 16.800 1.00 0.00 H new ATOM 0 HA VAL A 50 1.506 11.040 14.294 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.790 11.415 13.360 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.892 9.521 14.528 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.169 9.185 14.235 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.719 9.663 15.859 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.674 11.855 14.925 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.516 12.034 16.264 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.511 13.201 14.921 1.00 0.00 H new ATOM 824 N PRO A 51 1.986 13.451 13.533 1.00 0.00 N ATOM 825 CA PRO A 51 2.235 14.848 13.070 1.00 0.00 C ATOM 826 C PRO A 51 0.946 15.570 12.673 1.00 0.00 C ATOM 827 O PRO A 51 0.077 15.013 12.038 1.00 0.00 O ATOM 828 CB PRO A 51 3.157 14.671 11.859 1.00 0.00 C ATOM 829 CG PRO A 51 3.909 13.408 12.134 1.00 0.00 C ATOM 830 CD PRO A 51 2.964 12.511 12.948 1.00 0.00 C ATOM 0 HA PRO A 51 2.669 15.465 13.857 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.585 14.598 10.934 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.834 15.519 11.749 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.203 12.920 11.204 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.824 13.614 12.689 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.475 11.770 12.315 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.502 11.964 13.722 1.00 0.00 H new ATOM 838 N ALA A 52 0.825 16.808 13.046 1.00 0.00 N ATOM 839 CA ALA A 52 -0.396 17.580 12.699 1.00 0.00 C ATOM 840 C ALA A 52 -0.649 17.496 11.188 1.00 0.00 C ATOM 841 O ALA A 52 0.254 17.254 10.411 1.00 0.00 O ATOM 842 CB ALA A 52 -0.182 19.035 13.114 1.00 0.00 C ATOM 0 H ALA A 52 1.524 17.323 13.581 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.261 17.170 13.220 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.069 19.618 12.867 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.003 19.084 14.188 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.679 19.442 12.584 1.00 0.00 H new ATOM 848 N GLY A 53 -1.870 17.696 10.766 1.00 0.00 N ATOM 849 CA GLY A 53 -2.185 17.631 9.306 1.00 0.00 C ATOM 850 C GLY A 53 -2.524 16.191 8.912 1.00 0.00 C ATOM 851 O GLY A 53 -3.087 15.940 7.865 1.00 0.00 O ATOM 0 H GLY A 53 -2.665 17.902 11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.024 18.288 9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.334 17.986 8.725 1.00 0.00 H new ATOM 855 N LYS A 54 -2.184 15.243 9.742 1.00 0.00 N ATOM 856 CA LYS A 54 -2.481 13.817 9.423 1.00 0.00 C ATOM 857 C LYS A 54 -3.887 13.465 9.928 1.00 0.00 C ATOM 858 O LYS A 54 -4.419 14.104 10.815 1.00 0.00 O ATOM 859 CB LYS A 54 -1.439 12.934 10.121 1.00 0.00 C ATOM 860 CG LYS A 54 -0.130 12.892 9.313 1.00 0.00 C ATOM 861 CD LYS A 54 0.288 14.301 8.855 1.00 0.00 C ATOM 862 CE LYS A 54 1.692 14.250 8.242 1.00 0.00 C ATOM 863 NZ LYS A 54 2.257 15.628 8.182 1.00 0.00 N ATOM 0 H LYS A 54 -1.711 15.396 10.632 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.441 13.654 8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.242 13.318 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.832 11.924 10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.662 12.455 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.257 12.247 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.425 14.683 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.275 14.988 9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.338 13.606 8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.649 13.819 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.210 15.595 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.644 16.229 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.312 16.023 9.143 1.00 0.00 H new ATOM 877 N ARG A 55 -4.490 12.452 9.364 1.00 0.00 N ATOM 878 CA ARG A 55 -5.859 12.051 9.800 1.00 0.00 C ATOM 879 C ARG A 55 -5.763 11.257 11.104 1.00 0.00 C ATOM 880 O ARG A 55 -5.232 10.166 11.138 1.00 0.00 O ATOM 881 CB ARG A 55 -6.492 11.164 8.719 1.00 0.00 C ATOM 882 CG ARG A 55 -6.899 12.011 7.495 1.00 0.00 C ATOM 883 CD ARG A 55 -8.332 12.531 7.662 1.00 0.00 C ATOM 884 NE ARG A 55 -9.280 11.381 7.671 1.00 0.00 N ATOM 885 CZ ARG A 55 -10.503 11.545 8.094 1.00 0.00 C ATOM 886 NH1 ARG A 55 -10.900 12.715 8.516 1.00 0.00 N ATOM 887 NH2 ARG A 55 -11.332 10.536 8.096 1.00 0.00 N ATOM 0 H ARG A 55 -4.091 11.883 8.617 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.469 12.941 9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.786 10.391 8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.367 10.655 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.212 12.849 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.826 11.411 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.420 13.095 8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.580 13.214 6.849 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.972 10.465 7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.253 13.504 8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.857 12.840 8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.023 9.621 7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.289 10.663 8.426 1.00 0.00 H new ATOM 901 N ASP A 56 -6.275 11.793 12.177 1.00 0.00 N ATOM 902 CA ASP A 56 -6.212 11.064 13.475 1.00 0.00 C ATOM 903 C ASP A 56 -6.726 9.638 13.281 1.00 0.00 C ATOM 904 O ASP A 56 -7.486 9.360 12.374 1.00 0.00 O ATOM 905 CB ASP A 56 -7.082 11.780 14.511 1.00 0.00 C ATOM 906 CG ASP A 56 -6.715 13.264 14.547 1.00 0.00 C ATOM 907 OD1 ASP A 56 -5.714 13.622 13.950 1.00 0.00 O ATOM 908 OD2 ASP A 56 -7.444 14.019 15.171 1.00 0.00 O ATOM 0 H ASP A 56 -6.734 12.703 12.211 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.180 11.038 13.825 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.136 11.661 14.261 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.936 11.334 15.495 1.00 0.00 H new ATOM 913 N ALA A 57 -6.315 8.729 14.121 1.00 0.00 N ATOM 914 CA ALA A 57 -6.779 7.322 13.980 1.00 0.00 C ATOM 915 C ALA A 57 -6.247 6.501 15.150 1.00 0.00 C ATOM 916 O ALA A 57 -5.375 6.932 15.878 1.00 0.00 O ATOM 917 CB ALA A 57 -6.241 6.739 12.664 1.00 0.00 C ATOM 0 H ALA A 57 -5.678 8.900 14.899 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.869 7.292 13.974 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.579 5.708 12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.610 7.330 11.826 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.151 6.764 12.673 1.00 0.00 H new ATOM 923 N ILE A 58 -6.742 5.308 15.324 1.00 0.00 N ATOM 924 CA ILE A 58 -6.236 4.461 16.428 1.00 0.00 C ATOM 925 C ILE A 58 -4.829 4.024 16.056 1.00 0.00 C ATOM 926 O ILE A 58 -4.153 4.683 15.290 1.00 0.00 O ATOM 927 CB ILE A 58 -7.125 3.224 16.572 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.062 2.391 15.280 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.568 3.654 16.830 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.144 1.294 15.280 1.00 0.00 C ATOM 0 H ILE A 58 -7.472 4.888 14.749 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.239 5.011 17.369 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.772 2.623 17.410 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.198 3.042 14.416 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.076 1.935 15.184 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.198 2.771 16.932 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.614 4.241 17.747 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.923 4.258 15.995 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.079 0.719 14.356 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.990 0.631 16.132 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.129 1.755 15.352 1.00 0.00 H new ATOM 942 N SER A 59 -4.389 2.911 16.567 1.00 0.00 N ATOM 943 CA SER A 59 -3.029 2.414 16.221 1.00 0.00 C ATOM 944 C SER A 59 -3.166 1.251 15.254 1.00 0.00 C ATOM 945 O SER A 59 -4.076 0.453 15.352 1.00 0.00 O ATOM 946 CB SER A 59 -2.317 1.946 17.485 1.00 0.00 C ATOM 947 OG SER A 59 -2.646 0.586 17.739 1.00 0.00 O ATOM 0 H SER A 59 -4.914 2.321 17.212 1.00 0.00 H new ATOM 0 HA SER A 59 -2.448 3.214 15.761 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.239 2.055 17.369 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.611 2.567 18.332 1.00 0.00 H new ATOM 0 HG SER A 59 -2.620 0.418 18.704 1.00 0.00 H new ATOM 953 N LEU A 60 -2.269 1.150 14.317 1.00 0.00 N ATOM 954 CA LEU A 60 -2.344 0.038 13.335 1.00 0.00 C ATOM 955 C LEU A 60 -2.589 -1.273 14.086 1.00 0.00 C ATOM 956 O LEU A 60 -3.255 -2.168 13.605 1.00 0.00 O ATOM 957 CB LEU A 60 -1.017 -0.048 12.579 1.00 0.00 C ATOM 958 CG LEU A 60 -0.999 -1.278 11.664 1.00 0.00 C ATOM 959 CD1 LEU A 60 -2.249 -1.290 10.769 1.00 0.00 C ATOM 960 CD2 LEU A 60 0.264 -1.226 10.798 1.00 0.00 C ATOM 0 H LEU A 60 -1.486 1.791 14.189 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.157 0.214 12.630 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.870 0.855 11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.191 -0.103 13.288 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.998 -2.186 12.267 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.226 -2.168 10.123 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.143 -1.322 11.392 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.266 -0.389 10.156 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.291 -2.095 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.256 -0.317 10.197 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.145 -1.229 11.439 1.00 0.00 H new ATOM 972 N ARG A 61 -2.053 -1.383 15.268 1.00 0.00 N ATOM 973 CA ARG A 61 -2.249 -2.623 16.061 1.00 0.00 C ATOM 974 C ARG A 61 -3.720 -2.731 16.474 1.00 0.00 C ATOM 975 O ARG A 61 -4.252 -3.815 16.609 1.00 0.00 O ATOM 976 CB ARG A 61 -1.342 -2.578 17.301 1.00 0.00 C ATOM 977 CG ARG A 61 0.107 -2.986 16.920 1.00 0.00 C ATOM 978 CD ARG A 61 0.351 -4.459 17.262 1.00 0.00 C ATOM 979 NE ARG A 61 1.564 -4.953 16.542 1.00 0.00 N ATOM 980 CZ ARG A 61 2.139 -6.059 16.924 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.657 -6.732 17.933 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.197 -6.495 16.296 1.00 0.00 N ATOM 0 H ARG A 61 -1.486 -0.665 15.719 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.987 -3.497 15.464 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.345 -1.575 17.727 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.727 -3.251 18.067 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.271 -2.821 15.855 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.821 -2.359 17.453 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.483 -4.575 18.338 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.517 -5.055 16.982 1.00 0.00 H new ATOM 0 HE ARG A 61 1.941 -4.426 15.754 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.830 -6.393 18.424 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.108 -7.597 18.231 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.574 -5.970 15.507 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.647 -7.360 16.595 1.00 0.00 H new ATOM 996 N GLU A 62 -4.396 -1.622 16.650 1.00 0.00 N ATOM 997 CA GLU A 62 -5.835 -1.696 17.022 1.00 0.00 C ATOM 998 C GLU A 62 -6.629 -2.036 15.760 1.00 0.00 C ATOM 999 O GLU A 62 -7.567 -2.807 15.793 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.302 -0.356 17.602 1.00 0.00 C ATOM 1001 CG GLU A 62 -5.713 -0.156 19.005 1.00 0.00 C ATOM 1002 CD GLU A 62 -6.489 0.941 19.738 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -6.134 2.096 19.583 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -7.426 0.605 20.445 1.00 0.00 O ATOM 0 H GLU A 62 -4.015 -0.681 16.553 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.991 -2.461 17.782 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.992 0.460 16.949 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.391 -0.331 17.649 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.763 -1.088 19.567 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.660 0.116 18.933 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.237 -1.493 14.634 1.00 0.00 N ATOM 1012 CA LYS A 63 -6.950 -1.822 13.368 1.00 0.00 C ATOM 1013 C LYS A 63 -6.727 -3.301 13.084 1.00 0.00 C ATOM 1014 O LYS A 63 -7.657 -4.056 12.891 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.388 -0.989 12.209 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.853 0.463 12.344 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.619 1.213 11.030 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.690 2.724 11.282 1.00 0.00 C ATOM 1019 NZ LYS A 63 -6.914 3.435 9.990 1.00 0.00 N ATOM 0 H LYS A 63 -5.459 -0.840 14.540 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.012 -1.600 13.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.299 -1.034 12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.722 -1.401 11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.911 0.492 12.605 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.312 0.953 13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.646 0.948 10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.368 0.921 10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.498 2.950 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.765 3.070 11.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.114 4.439 10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.063 3.355 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.722 3.007 9.494 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.492 -3.721 13.082 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.193 -5.156 12.837 1.00 0.00 C ATOM 1035 C ILE A 64 -6.066 -5.997 13.779 1.00 0.00 C ATOM 1036 O ILE A 64 -6.600 -7.023 13.406 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.698 -5.418 13.116 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -2.871 -4.995 11.896 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.450 -6.909 13.398 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.386 -4.967 12.267 1.00 0.00 C ATOM 0 H ILE A 64 -4.676 -3.129 13.240 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.408 -5.423 11.802 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.402 -4.840 13.991 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.037 -5.690 11.073 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.189 -4.011 11.552 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.390 -7.071 13.592 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.029 -7.216 14.269 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.755 -7.498 12.533 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.800 -4.666 11.399 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.227 -4.255 13.077 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.073 -5.960 12.590 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.203 -5.560 14.999 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.025 -6.315 15.985 1.00 0.00 C ATOM 1054 C ALA A 65 -8.437 -6.539 15.438 1.00 0.00 C ATOM 1055 O ALA A 65 -9.045 -7.557 15.684 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.108 -5.522 17.292 1.00 0.00 C ATOM 0 H ALA A 65 -5.777 -4.705 15.358 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.557 -7.283 16.168 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.709 -6.074 18.015 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.105 -5.374 17.692 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.569 -4.553 17.101 1.00 0.00 H new ATOM 1062 N GLU A 66 -8.971 -5.600 14.704 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.349 -5.787 14.165 1.00 0.00 C ATOM 1064 C GLU A 66 -10.317 -6.818 13.036 1.00 0.00 C ATOM 1065 O GLU A 66 -11.261 -7.553 12.824 1.00 0.00 O ATOM 1066 CB GLU A 66 -10.878 -4.455 13.629 1.00 0.00 C ATOM 1067 CG GLU A 66 -10.881 -3.419 14.754 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.447 -2.098 14.233 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -10.673 -1.303 13.727 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.646 -1.901 14.352 1.00 0.00 O ATOM 0 H GLU A 66 -8.518 -4.720 14.456 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.005 -6.139 14.961 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.255 -4.110 12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.886 -4.584 13.236 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.480 -3.778 15.591 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.868 -3.270 15.128 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.236 -6.876 12.313 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.131 -7.857 11.198 1.00 0.00 C ATOM 1079 C LEU A 67 -9.071 -9.274 11.774 1.00 0.00 C ATOM 1080 O LEU A 67 -9.488 -10.229 11.148 1.00 0.00 O ATOM 1081 CB LEU A 67 -7.863 -7.576 10.389 1.00 0.00 C ATOM 1082 CG LEU A 67 -7.728 -6.068 10.154 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.467 -5.791 9.332 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -8.955 -5.554 9.395 1.00 0.00 C ATOM 0 H LEU A 67 -8.416 -6.284 12.446 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.001 -7.766 10.547 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.989 -7.951 10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.904 -8.101 9.435 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.657 -5.557 11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.370 -4.718 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.593 -6.154 9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.538 -6.303 8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.857 -4.481 9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.029 -6.065 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.853 -5.750 9.980 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.557 -9.414 12.966 1.00 0.00 N ATOM 1097 CA GLN A 68 -8.473 -10.765 13.588 1.00 0.00 C ATOM 1098 C GLN A 68 -9.842 -11.133 14.173 1.00 0.00 C ATOM 1099 O GLN A 68 -10.009 -12.159 14.802 1.00 0.00 O ATOM 1100 CB GLN A 68 -7.407 -10.745 14.695 1.00 0.00 C ATOM 1101 CG GLN A 68 -6.015 -10.881 14.071 1.00 0.00 C ATOM 1102 CD GLN A 68 -4.956 -10.865 15.175 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -4.928 -11.738 16.019 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -4.077 -9.901 15.205 1.00 0.00 N ATOM 0 H GLN A 68 -8.192 -8.651 13.535 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.194 -11.508 12.841 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.474 -9.816 15.261 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.583 -11.560 15.398 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.949 -11.809 13.503 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.838 -10.065 13.371 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.100 -9.168 14.496 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.367 -9.881 15.937 1.00 0.00 H new