USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=14 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= -0.27 X(o=-0.27,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= -0.204 (180deg=-1.03) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -10:sc= 0.948 USER MOD Single : A 19 GLN : amide:sc= -5.86! C(o=-5.9!,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 0:sc= 0.779 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.495 (180deg=-0.883) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.465 USER MOD Single : A 32 SER OG : rot 180:sc= 0.041 USER MOD Single : A 37 GLN : amide:sc= -23.9! C(o=-24!,f=-25!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 132:sc= -0.519 USER MOD Single : A 43 LYS NZ :NH3+ -135:sc= -1.91 (180deg=-4.84!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -13:sc= -1.57! USER MOD Single : A 59 SER OG : rot 30:sc= -2.39! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -13.613 7.468 5.875 1.00 0.00 N ATOM 63 CA ARG A 6 -13.784 5.981 5.765 1.00 0.00 C ATOM 64 C ARG A 6 -13.889 5.574 4.288 1.00 0.00 C ATOM 65 O ARG A 6 -14.075 6.400 3.413 1.00 0.00 O ATOM 66 CB ARG A 6 -15.067 5.556 6.485 1.00 0.00 C ATOM 67 CG ARG A 6 -15.070 6.090 7.927 1.00 0.00 C ATOM 68 CD ARG A 6 -16.026 5.245 8.787 1.00 0.00 C ATOM 69 NE ARG A 6 -16.359 5.974 10.043 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.392 5.609 10.754 1.00 0.00 C ATOM 71 NH1 ARG A 6 -18.135 4.611 10.361 1.00 0.00 N ATOM 72 NH2 ARG A 6 -17.678 6.236 11.863 1.00 0.00 N ATOM 0 HA ARG A 6 -12.922 5.493 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.936 5.935 5.948 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.145 4.469 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.063 6.053 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.381 7.135 7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.937 5.030 8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.564 4.287 9.024 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.781 6.757 10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.909 4.116 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.942 4.326 10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.094 7.012 12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.485 5.950 12.417 1.00 0.00 H new ATOM 86 N ASP A 7 -13.771 4.297 4.012 1.00 0.00 N ATOM 87 CA ASP A 7 -13.858 3.798 2.608 1.00 0.00 C ATOM 88 C ASP A 7 -15.256 3.211 2.358 1.00 0.00 C ATOM 89 O ASP A 7 -16.117 3.255 3.212 1.00 0.00 O ATOM 90 CB ASP A 7 -12.803 2.705 2.405 1.00 0.00 C ATOM 91 CG ASP A 7 -13.158 1.481 3.258 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.094 1.574 4.036 1.00 0.00 O ATOM 93 OD2 ASP A 7 -12.486 0.473 3.119 1.00 0.00 O ATOM 0 H ASP A 7 -13.616 3.571 4.712 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.682 4.618 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.753 2.425 1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.818 3.081 2.682 1.00 0.00 H new ATOM 98 N ASN A 8 -15.488 2.660 1.193 1.00 0.00 N ATOM 99 CA ASN A 8 -16.828 2.072 0.885 1.00 0.00 C ATOM 100 C ASN A 8 -17.081 0.857 1.770 1.00 0.00 C ATOM 101 O ASN A 8 -18.190 0.371 1.867 1.00 0.00 O ATOM 102 CB ASN A 8 -16.858 1.608 -0.569 1.00 0.00 C ATOM 103 CG ASN A 8 -16.733 2.813 -1.497 1.00 0.00 C ATOM 104 OD1 ASN A 8 -17.630 3.627 -1.581 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.647 2.960 -2.203 1.00 0.00 N ATOM 0 H ASN A 8 -14.804 2.592 0.439 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.590 2.831 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.043 0.908 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.787 1.076 -0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.549 3.760 -2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.895 2.275 -2.131 1.00 0.00 H new ATOM 112 N ARG A 9 -16.057 0.338 2.394 1.00 0.00 N ATOM 113 CA ARG A 9 -16.228 -0.869 3.247 1.00 0.00 C ATOM 114 C ARG A 9 -16.422 -0.453 4.712 1.00 0.00 C ATOM 115 O ARG A 9 -16.607 -1.278 5.583 1.00 0.00 O ATOM 116 CB ARG A 9 -14.979 -1.731 3.103 1.00 0.00 C ATOM 117 CG ARG A 9 -14.805 -2.134 1.626 1.00 0.00 C ATOM 118 CD ARG A 9 -15.935 -3.093 1.178 1.00 0.00 C ATOM 119 NE ARG A 9 -15.355 -4.204 0.355 1.00 0.00 N ATOM 120 CZ ARG A 9 -14.539 -3.958 -0.638 1.00 0.00 C ATOM 121 NH1 ARG A 9 -14.312 -2.729 -1.017 1.00 0.00 N ATOM 122 NH2 ARG A 9 -13.972 -4.946 -1.279 1.00 0.00 N ATOM 0 H ARG A 9 -15.105 0.702 2.348 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.108 -1.432 2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.103 -1.182 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.063 -2.621 3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.809 -1.243 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.837 -2.616 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.446 -3.501 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.680 -2.548 0.598 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.601 -5.170 0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.772 -1.955 -0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.675 -2.544 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.166 -5.909 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.336 -4.754 -2.053 1.00 0.00 H new ATOM 136 N GLY A 10 -16.400 0.820 4.986 1.00 0.00 N ATOM 137 CA GLY A 10 -16.608 1.285 6.388 1.00 0.00 C ATOM 138 C GLY A 10 -15.309 1.145 7.189 1.00 0.00 C ATOM 139 O GLY A 10 -15.259 1.462 8.361 1.00 0.00 O ATOM 0 H GLY A 10 -16.247 1.560 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.935 2.325 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.399 0.702 6.859 1.00 0.00 H new ATOM 143 N ARG A 11 -14.259 0.676 6.572 1.00 0.00 N ATOM 144 CA ARG A 11 -12.968 0.522 7.307 1.00 0.00 C ATOM 145 C ARG A 11 -12.216 1.860 7.289 1.00 0.00 C ATOM 146 O ARG A 11 -12.164 2.537 6.281 1.00 0.00 O ATOM 147 CB ARG A 11 -12.121 -0.564 6.625 1.00 0.00 C ATOM 148 CG ARG A 11 -12.787 -1.934 6.833 1.00 0.00 C ATOM 149 CD ARG A 11 -11.842 -3.073 6.405 1.00 0.00 C ATOM 150 NE ARG A 11 -11.970 -3.300 4.937 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.098 -4.046 4.313 1.00 0.00 C ATOM 152 NH1 ARG A 11 -10.152 -4.651 4.980 1.00 0.00 N ATOM 153 NH2 ARG A 11 -11.179 -4.199 3.017 1.00 0.00 N ATOM 0 H ARG A 11 -14.238 0.393 5.592 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.160 0.230 8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.025 -0.351 5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.113 -0.570 7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.059 -2.056 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.710 -1.986 6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.812 -2.819 6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.087 -3.986 6.948 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.738 -2.873 4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.092 -4.542 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.473 -5.233 4.489 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.923 -3.736 2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.499 -4.781 2.529 1.00 0.00 H new ATOM 167 N ILE A 12 -11.640 2.258 8.399 1.00 0.00 N ATOM 168 CA ILE A 12 -10.908 3.561 8.426 1.00 0.00 C ATOM 169 C ILE A 12 -9.515 3.383 7.824 1.00 0.00 C ATOM 170 O ILE A 12 -8.702 2.621 8.307 1.00 0.00 O ATOM 171 CB ILE A 12 -10.780 4.068 9.871 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.174 4.205 10.481 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.092 5.444 9.901 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.048 4.704 11.920 1.00 0.00 C ATOM 0 H ILE A 12 -11.645 1.741 9.279 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.468 4.290 7.841 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.182 3.355 10.439 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.774 4.900 9.894 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.689 3.244 10.461 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.010 5.787 10.932 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.096 5.362 9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.682 6.158 9.327 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.041 4.803 12.359 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.463 3.992 12.502 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.550 5.674 11.927 1.00 0.00 H new ATOM 186 N LEU A 13 -9.240 4.104 6.778 1.00 0.00 N ATOM 187 CA LEU A 13 -7.903 4.023 6.119 1.00 0.00 C ATOM 188 C LEU A 13 -6.974 5.063 6.755 1.00 0.00 C ATOM 189 O LEU A 13 -7.419 6.091 7.229 1.00 0.00 O ATOM 190 CB LEU A 13 -8.083 4.309 4.617 1.00 0.00 C ATOM 191 CG LEU A 13 -8.767 5.692 4.396 1.00 0.00 C ATOM 192 CD1 LEU A 13 -7.715 6.783 4.139 1.00 0.00 C ATOM 193 CD2 LEU A 13 -9.700 5.628 3.176 1.00 0.00 C ATOM 0 H LEU A 13 -9.892 4.757 6.342 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.465 3.033 6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.113 4.294 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.686 3.523 4.162 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.334 5.933 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.213 7.740 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.047 6.854 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.138 6.530 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.174 6.599 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.122 5.368 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.467 4.872 3.344 1.00 0.00 H new ATOM 205 N LYS A 14 -5.688 4.809 6.784 1.00 0.00 N ATOM 206 CA LYS A 14 -4.749 5.794 7.404 1.00 0.00 C ATOM 207 C LYS A 14 -4.310 6.841 6.376 1.00 0.00 C ATOM 208 O LYS A 14 -4.737 6.847 5.241 1.00 0.00 O ATOM 209 CB LYS A 14 -3.504 5.075 7.925 1.00 0.00 C ATOM 210 CG LYS A 14 -3.916 3.865 8.774 1.00 0.00 C ATOM 211 CD LYS A 14 -2.730 3.381 9.633 1.00 0.00 C ATOM 212 CE LYS A 14 -2.704 4.143 10.962 1.00 0.00 C ATOM 213 NZ LYS A 14 -3.923 3.807 11.745 1.00 0.00 N ATOM 0 H LYS A 14 -5.251 3.968 6.408 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.270 6.285 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.885 4.750 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.901 5.760 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.754 4.133 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.257 3.058 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.817 2.311 9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.794 3.536 9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.810 3.880 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.660 5.216 10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.698 3.820 12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.667 4.506 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.258 2.860 11.476 1.00 0.00 H new ATOM 227 N THR A 15 -3.455 7.732 6.797 1.00 0.00 N ATOM 228 CA THR A 15 -2.946 8.815 5.899 1.00 0.00 C ATOM 229 C THR A 15 -2.284 8.240 4.642 1.00 0.00 C ATOM 230 O THR A 15 -1.679 7.189 4.669 1.00 0.00 O ATOM 231 CB THR A 15 -1.909 9.643 6.651 1.00 0.00 C ATOM 232 OG1 THR A 15 -0.738 8.869 6.829 1.00 0.00 O ATOM 233 CG2 THR A 15 -2.464 10.047 8.010 1.00 0.00 C ATOM 0 H THR A 15 -3.078 7.758 7.745 1.00 0.00 H new ATOM 0 HA THR A 15 -3.796 9.428 5.598 1.00 0.00 H new ATOM 0 HB THR A 15 -1.673 10.540 6.079 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.067 9.397 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.721 10.638 8.545 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.369 10.639 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.700 9.153 8.587 1.00 0.00 H new ATOM 241 N GLY A 16 -2.362 8.958 3.553 1.00 0.00 N ATOM 242 CA GLY A 16 -1.710 8.506 2.292 1.00 0.00 C ATOM 243 C GLY A 16 -2.577 7.479 1.567 1.00 0.00 C ATOM 244 O GLY A 16 -2.549 7.388 0.356 1.00 0.00 O ATOM 0 H GLY A 16 -2.855 9.848 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.534 9.363 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.736 8.071 2.517 1.00 0.00 H new ATOM 248 N GLU A 17 -3.346 6.699 2.280 1.00 0.00 N ATOM 249 CA GLU A 17 -4.194 5.687 1.597 1.00 0.00 C ATOM 250 C GLU A 17 -5.401 6.384 0.961 1.00 0.00 C ATOM 251 O GLU A 17 -5.827 7.430 1.405 1.00 0.00 O ATOM 252 CB GLU A 17 -4.671 4.639 2.607 1.00 0.00 C ATOM 253 CG GLU A 17 -3.509 3.703 2.999 1.00 0.00 C ATOM 254 CD GLU A 17 -2.600 4.389 4.020 1.00 0.00 C ATOM 255 OE1 GLU A 17 -3.058 5.309 4.668 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.458 3.979 4.137 1.00 0.00 O ATOM 0 H GLU A 17 -3.421 6.720 3.297 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.611 5.190 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.064 5.133 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.487 4.057 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.904 2.777 3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.934 3.434 2.113 1.00 0.00 H new ATOM 263 N SER A 18 -5.962 5.811 -0.074 1.00 0.00 N ATOM 264 CA SER A 18 -7.143 6.450 -0.730 1.00 0.00 C ATOM 265 C SER A 18 -7.936 5.391 -1.493 1.00 0.00 C ATOM 266 O SER A 18 -7.377 4.535 -2.151 1.00 0.00 O ATOM 267 CB SER A 18 -6.678 7.535 -1.703 1.00 0.00 C ATOM 268 OG SER A 18 -6.106 8.607 -0.965 1.00 0.00 O ATOM 0 H SER A 18 -5.655 4.932 -0.491 1.00 0.00 H new ATOM 0 HA SER A 18 -7.774 6.902 0.035 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.947 7.126 -2.401 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.519 7.894 -2.296 1.00 0.00 H new ATOM 0 HG SER A 18 -6.288 8.481 -0.010 1.00 0.00 H new ATOM 274 N GLN A 19 -9.241 5.445 -1.410 1.00 0.00 N ATOM 275 CA GLN A 19 -10.091 4.447 -2.129 1.00 0.00 C ATOM 276 C GLN A 19 -10.606 5.066 -3.423 1.00 0.00 C ATOM 277 O GLN A 19 -11.075 6.188 -3.450 1.00 0.00 O ATOM 278 CB GLN A 19 -11.282 4.062 -1.242 1.00 0.00 C ATOM 279 CG GLN A 19 -12.103 2.948 -1.909 1.00 0.00 C ATOM 280 CD GLN A 19 -11.419 1.592 -1.692 1.00 0.00 C ATOM 281 OE1 GLN A 19 -10.283 1.394 -2.077 1.00 0.00 O ATOM 282 NE2 GLN A 19 -12.069 0.643 -1.085 1.00 0.00 N ATOM 0 H GLN A 19 -9.757 6.141 -0.872 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.502 3.559 -2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.926 3.727 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.912 4.934 -1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.110 2.928 -1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.203 3.148 -2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.022 0.805 -0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.625 -0.263 -0.934 1.00 0.00 H new ATOM 291 N ARG A 20 -10.528 4.335 -4.499 1.00 0.00 N ATOM 292 CA ARG A 20 -11.018 4.868 -5.802 1.00 0.00 C ATOM 293 C ARG A 20 -12.511 4.557 -5.935 1.00 0.00 C ATOM 294 O ARG A 20 -13.093 3.874 -5.115 1.00 0.00 O ATOM 295 CB ARG A 20 -10.272 4.192 -6.963 1.00 0.00 C ATOM 296 CG ARG A 20 -8.826 3.907 -6.570 1.00 0.00 C ATOM 297 CD ARG A 20 -8.133 5.172 -6.074 1.00 0.00 C ATOM 298 NE ARG A 20 -8.423 6.326 -6.988 1.00 0.00 N ATOM 299 CZ ARG A 20 -8.188 6.268 -8.275 1.00 0.00 C ATOM 300 NH1 ARG A 20 -7.522 5.269 -8.792 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.571 7.248 -9.038 1.00 0.00 N ATOM 0 H ARG A 20 -10.146 3.390 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.845 5.944 -5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.772 3.262 -7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.297 4.835 -7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.801 3.145 -5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.286 3.504 -7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.471 5.407 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.057 5.006 -6.019 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.815 7.182 -6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.177 4.520 -8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.347 5.238 -9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.050 8.053 -8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.393 7.213 -10.042 1.00 0.00 H new ATOM 315 N LYS A 21 -13.122 5.023 -6.983 1.00 0.00 N ATOM 316 CA LYS A 21 -14.562 4.724 -7.197 1.00 0.00 C ATOM 317 C LYS A 21 -14.706 3.234 -7.534 1.00 0.00 C ATOM 318 O LYS A 21 -15.766 2.655 -7.396 1.00 0.00 O ATOM 319 CB LYS A 21 -15.091 5.563 -8.374 1.00 0.00 C ATOM 320 CG LYS A 21 -14.116 5.474 -9.579 1.00 0.00 C ATOM 321 CD LYS A 21 -13.214 6.728 -9.647 1.00 0.00 C ATOM 322 CE LYS A 21 -13.923 7.843 -10.433 1.00 0.00 C ATOM 323 NZ LYS A 21 -13.123 9.101 -10.348 1.00 0.00 N ATOM 0 H LYS A 21 -12.686 5.599 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.130 4.964 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.078 5.207 -8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.206 6.602 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.498 4.580 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.683 5.377 -10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.981 7.073 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.267 6.480 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.044 7.547 -11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.922 8.007 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.603 9.855 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.029 9.386 -9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.179 8.940 -10.753 1.00 0.00 H new ATOM 337 N ASP A 22 -13.640 2.619 -7.994 1.00 0.00 N ATOM 338 CA ASP A 22 -13.696 1.169 -8.370 1.00 0.00 C ATOM 339 C ASP A 22 -13.505 0.282 -7.128 1.00 0.00 C ATOM 340 O ASP A 22 -13.663 -0.920 -7.187 1.00 0.00 O ATOM 341 CB ASP A 22 -12.581 0.868 -9.380 1.00 0.00 C ATOM 342 CG ASP A 22 -12.868 1.587 -10.701 1.00 0.00 C ATOM 343 OD1 ASP A 22 -14.031 1.754 -11.026 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.915 1.963 -11.361 1.00 0.00 O ATOM 0 H ASP A 22 -12.730 3.061 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.671 0.956 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.620 1.192 -8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.511 -0.207 -9.548 1.00 0.00 H new ATOM 349 N GLY A 23 -13.185 0.865 -6.000 1.00 0.00 N ATOM 350 CA GLY A 23 -13.009 0.052 -4.751 1.00 0.00 C ATOM 351 C GLY A 23 -11.528 -0.268 -4.505 1.00 0.00 C ATOM 352 O GLY A 23 -11.111 -0.441 -3.375 1.00 0.00 O ATOM 0 H GLY A 23 -13.037 1.868 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.413 0.597 -3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.576 -0.875 -4.834 1.00 0.00 H new ATOM 356 N ARG A 24 -10.728 -0.353 -5.535 1.00 0.00 N ATOM 357 CA ARG A 24 -9.285 -0.670 -5.319 1.00 0.00 C ATOM 358 C ARG A 24 -8.667 0.366 -4.381 1.00 0.00 C ATOM 359 O ARG A 24 -9.144 1.474 -4.273 1.00 0.00 O ATOM 360 CB ARG A 24 -8.539 -0.677 -6.658 1.00 0.00 C ATOM 361 CG ARG A 24 -8.594 0.698 -7.312 1.00 0.00 C ATOM 362 CD ARG A 24 -8.179 0.576 -8.785 1.00 0.00 C ATOM 363 NE ARG A 24 -8.280 1.907 -9.450 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.777 2.071 -10.643 1.00 0.00 C ATOM 365 NH1 ARG A 24 -7.225 1.060 -11.252 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.836 3.235 -11.232 1.00 0.00 N ATOM 0 H ARG A 24 -11.007 -0.218 -6.507 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.201 -1.659 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.501 -0.969 -6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.981 -1.419 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.601 1.108 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.930 1.388 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.158 0.201 -8.855 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.819 -0.145 -9.294 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.739 2.684 -8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.188 0.148 -10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.830 1.180 -12.185 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.277 4.024 -10.760 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.441 3.355 -12.165 1.00 0.00 H new ATOM 380 N TYR A 25 -7.621 0.006 -3.680 1.00 0.00 N ATOM 381 CA TYR A 25 -6.979 0.964 -2.730 1.00 0.00 C ATOM 382 C TYR A 25 -5.769 1.623 -3.399 1.00 0.00 C ATOM 383 O TYR A 25 -5.338 1.222 -4.463 1.00 0.00 O ATOM 384 CB TYR A 25 -6.508 0.208 -1.489 1.00 0.00 C ATOM 385 CG TYR A 25 -7.702 -0.240 -0.671 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.461 0.709 0.024 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.042 -1.597 -0.601 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.561 0.302 0.791 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.142 -2.002 0.170 1.00 0.00 C ATOM 390 CZ TYR A 25 -9.901 -1.053 0.865 1.00 0.00 C ATOM 391 OH TYR A 25 -10.974 -1.456 1.632 1.00 0.00 O ATOM 0 H TYR A 25 -7.183 -0.914 -3.725 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.703 1.728 -2.448 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.914 -0.657 -1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.863 0.848 -0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.199 1.755 -0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.459 -2.330 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.147 1.035 1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.404 -3.048 0.227 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.385 -0.674 2.056 1.00 0.00 H new ATOM 401 N LEU A 26 -5.219 2.634 -2.777 1.00 0.00 N ATOM 402 CA LEU A 26 -4.035 3.331 -3.360 1.00 0.00 C ATOM 403 C LEU A 26 -3.230 3.996 -2.241 1.00 0.00 C ATOM 404 O LEU A 26 -3.779 4.656 -1.391 1.00 0.00 O ATOM 405 CB LEU A 26 -4.502 4.396 -4.367 1.00 0.00 C ATOM 406 CG LEU A 26 -3.296 5.268 -4.823 1.00 0.00 C ATOM 407 CD1 LEU A 26 -3.422 5.590 -6.317 1.00 0.00 C ATOM 408 CD2 LEU A 26 -3.238 6.590 -4.010 1.00 0.00 C ATOM 0 H LEU A 26 -5.542 3.008 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.406 2.604 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.960 3.914 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.266 5.027 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.378 4.707 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.575 6.201 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.432 4.663 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.348 6.136 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.388 7.185 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.159 7.153 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.127 6.361 -2.950 1.00 0.00 H new ATOM 420 N TYR A 27 -1.928 3.827 -2.245 1.00 0.00 N ATOM 421 CA TYR A 27 -1.062 4.451 -1.186 1.00 0.00 C ATOM 422 C TYR A 27 0.159 5.084 -1.857 1.00 0.00 C ATOM 423 O TYR A 27 0.637 4.598 -2.863 1.00 0.00 O ATOM 424 CB TYR A 27 -0.621 3.374 -0.184 1.00 0.00 C ATOM 425 CG TYR A 27 0.276 3.972 0.875 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.230 4.931 1.761 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.610 3.556 0.984 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.598 5.478 2.752 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.436 4.101 1.973 1.00 0.00 C ATOM 430 CZ TYR A 27 1.930 5.061 2.858 1.00 0.00 C ATOM 431 OH TYR A 27 2.744 5.598 3.835 1.00 0.00 O ATOM 0 H TYR A 27 -1.422 3.279 -2.941 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.619 5.219 -0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.497 2.924 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.094 2.576 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.259 5.250 1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.001 2.814 0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.208 6.220 3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.464 3.781 2.054 1.00 0.00 H new ATOM 0 HH TYR A 27 3.637 5.200 3.772 1.00 0.00 H new ATOM 441 N LYS A 28 0.649 6.179 -1.320 1.00 0.00 N ATOM 442 CA LYS A 28 1.829 6.877 -1.937 1.00 0.00 C ATOM 443 C LYS A 28 3.005 6.916 -0.957 1.00 0.00 C ATOM 444 O LYS A 28 2.847 7.230 0.206 1.00 0.00 O ATOM 445 CB LYS A 28 1.429 8.319 -2.272 1.00 0.00 C ATOM 446 CG LYS A 28 2.521 8.975 -3.135 1.00 0.00 C ATOM 447 CD LYS A 28 2.364 10.519 -3.129 1.00 0.00 C ATOM 448 CE LYS A 28 3.269 11.150 -2.062 1.00 0.00 C ATOM 449 NZ LYS A 28 2.777 10.776 -0.708 1.00 0.00 N ATOM 0 H LYS A 28 0.282 6.622 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 28 2.129 6.336 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.478 8.328 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.286 8.889 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.506 8.702 -2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.459 8.601 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.617 10.919 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.325 10.783 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.296 10.810 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.276 12.235 -2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.192 11.414 0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.740 10.856 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.055 9.796 -0.496 1.00 0.00 H new ATOM 463 N TYR A 29 4.198 6.639 -1.435 1.00 0.00 N ATOM 464 CA TYR A 29 5.402 6.701 -0.537 1.00 0.00 C ATOM 465 C TYR A 29 6.637 7.127 -1.334 1.00 0.00 C ATOM 466 O TYR A 29 6.544 7.515 -2.482 1.00 0.00 O ATOM 467 CB TYR A 29 5.667 5.354 0.143 1.00 0.00 C ATOM 468 CG TYR A 29 6.187 4.319 -0.840 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.356 3.835 -1.855 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.497 3.831 -0.723 1.00 0.00 C ATOM 471 CE1 TYR A 29 5.833 2.864 -2.747 1.00 0.00 C ATOM 472 CE2 TYR A 29 7.968 2.860 -1.615 1.00 0.00 C ATOM 473 CZ TYR A 29 7.138 2.380 -2.628 1.00 0.00 C ATOM 474 OH TYR A 29 7.603 1.422 -3.505 1.00 0.00 O ATOM 0 H TYR A 29 4.391 6.374 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 29 5.196 7.439 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.391 5.489 0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.747 4.991 0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.347 4.209 -1.952 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.144 4.205 0.057 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.189 2.489 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.975 2.482 -1.519 1.00 0.00 H new ATOM 0 HH TYR A 29 8.579 1.364 -3.439 1.00 0.00 H new ATOM 484 N ILE A 30 7.795 7.067 -0.718 1.00 0.00 N ATOM 485 CA ILE A 30 9.061 7.479 -1.407 1.00 0.00 C ATOM 486 C ILE A 30 9.879 6.220 -1.752 1.00 0.00 C ATOM 487 O ILE A 30 10.107 5.373 -0.911 1.00 0.00 O ATOM 488 CB ILE A 30 9.858 8.404 -0.458 1.00 0.00 C ATOM 489 CG1 ILE A 30 9.267 9.828 -0.482 1.00 0.00 C ATOM 490 CG2 ILE A 30 11.327 8.475 -0.897 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.784 9.815 -0.093 1.00 0.00 C ATOM 0 H ILE A 30 7.918 6.747 0.243 1.00 0.00 H new ATOM 0 HA ILE A 30 8.842 8.016 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 30 9.794 7.995 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.821 10.467 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.382 10.256 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.878 9.129 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.763 7.476 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.385 8.870 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.392 10.832 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.229 9.195 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.675 9.409 0.913 1.00 0.00 H new ATOM 503 N ASP A 31 10.320 6.092 -2.985 1.00 0.00 N ATOM 504 CA ASP A 31 11.119 4.891 -3.385 1.00 0.00 C ATOM 505 C ASP A 31 12.605 5.134 -3.076 1.00 0.00 C ATOM 506 O ASP A 31 12.955 6.107 -2.443 1.00 0.00 O ATOM 507 CB ASP A 31 10.923 4.639 -4.881 1.00 0.00 C ATOM 508 CG ASP A 31 11.318 5.890 -5.660 1.00 0.00 C ATOM 509 OD1 ASP A 31 11.747 6.845 -5.030 1.00 0.00 O ATOM 510 OD2 ASP A 31 11.198 5.870 -6.873 1.00 0.00 O ATOM 0 H ASP A 31 10.159 6.770 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 31 10.784 4.018 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.529 3.791 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.883 4.383 -5.085 1.00 0.00 H new ATOM 515 N SER A 32 13.483 4.261 -3.509 1.00 0.00 N ATOM 516 CA SER A 32 14.937 4.462 -3.220 1.00 0.00 C ATOM 517 C SER A 32 15.490 5.560 -4.140 1.00 0.00 C ATOM 518 O SER A 32 16.682 5.650 -4.372 1.00 0.00 O ATOM 519 CB SER A 32 15.696 3.138 -3.455 1.00 0.00 C ATOM 520 OG SER A 32 14.795 2.047 -3.300 1.00 0.00 O ATOM 0 H SER A 32 13.257 3.424 -4.046 1.00 0.00 H new ATOM 0 HA SER A 32 15.069 4.766 -2.182 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.131 3.127 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.521 3.047 -2.748 1.00 0.00 H new ATOM 0 HG SER A 32 15.273 1.204 -3.450 1.00 0.00 H new ATOM 526 N PHE A 33 14.621 6.379 -4.680 1.00 0.00 N ATOM 527 CA PHE A 33 15.051 7.466 -5.609 1.00 0.00 C ATOM 528 C PHE A 33 14.677 8.826 -5.007 1.00 0.00 C ATOM 529 O PHE A 33 15.153 9.859 -5.435 1.00 0.00 O ATOM 530 CB PHE A 33 14.322 7.269 -6.938 1.00 0.00 C ATOM 531 CG PHE A 33 14.643 5.896 -7.509 1.00 0.00 C ATOM 532 CD1 PHE A 33 14.162 4.733 -6.878 1.00 0.00 C ATOM 533 CD2 PHE A 33 15.401 5.783 -8.683 1.00 0.00 C ATOM 534 CE1 PHE A 33 14.438 3.476 -7.420 1.00 0.00 C ATOM 535 CE2 PHE A 33 15.680 4.517 -9.220 1.00 0.00 C ATOM 536 CZ PHE A 33 15.197 3.366 -8.589 1.00 0.00 C ATOM 0 H PHE A 33 13.616 6.338 -4.512 1.00 0.00 H new ATOM 0 HA PHE A 33 16.129 7.434 -5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.247 7.368 -6.790 1.00 0.00 H new ATOM 0 HB3 PHE A 33 14.620 8.044 -7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.578 4.813 -5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.770 6.671 -9.174 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.064 2.586 -6.935 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.268 4.431 -10.122 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.410 2.392 -9.005 1.00 0.00 H new ATOM 546 N GLY A 34 13.824 8.829 -4.015 1.00 0.00 N ATOM 547 CA GLY A 34 13.410 10.113 -3.369 1.00 0.00 C ATOM 548 C GLY A 34 12.158 10.648 -4.063 1.00 0.00 C ATOM 549 O GLY A 34 11.491 11.536 -3.573 1.00 0.00 O ATOM 0 H GLY A 34 13.393 7.992 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.212 9.953 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.217 10.843 -3.435 1.00 0.00 H new ATOM 553 N GLU A 35 11.838 10.118 -5.210 1.00 0.00 N ATOM 554 CA GLU A 35 10.640 10.598 -5.945 1.00 0.00 C ATOM 555 C GLU A 35 9.389 9.873 -5.421 1.00 0.00 C ATOM 556 O GLU A 35 9.462 8.726 -5.029 1.00 0.00 O ATOM 557 CB GLU A 35 10.826 10.284 -7.435 1.00 0.00 C ATOM 558 CG GLU A 35 10.725 8.760 -7.671 1.00 0.00 C ATOM 559 CD GLU A 35 9.285 8.374 -8.023 1.00 0.00 C ATOM 560 OE1 GLU A 35 8.840 8.751 -9.093 1.00 0.00 O ATOM 561 OE2 GLU A 35 8.660 7.695 -7.226 1.00 0.00 O ATOM 0 H GLU A 35 12.358 9.371 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 35 10.517 11.671 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.067 10.802 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.796 10.649 -7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.396 8.464 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.045 8.224 -6.777 1.00 0.00 H new ATOM 568 N PRO A 36 8.247 10.523 -5.424 1.00 0.00 N ATOM 569 CA PRO A 36 6.977 9.895 -4.950 1.00 0.00 C ATOM 570 C PRO A 36 6.451 8.832 -5.926 1.00 0.00 C ATOM 571 O PRO A 36 6.484 9.008 -7.128 1.00 0.00 O ATOM 572 CB PRO A 36 6.002 11.081 -4.859 1.00 0.00 C ATOM 573 CG PRO A 36 6.515 12.080 -5.849 1.00 0.00 C ATOM 574 CD PRO A 36 8.036 11.915 -5.874 1.00 0.00 C ATOM 0 HA PRO A 36 7.110 9.367 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.984 10.774 -5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.980 11.498 -3.852 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.088 11.904 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.238 13.093 -5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.440 12.078 -6.873 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.527 12.628 -5.212 1.00 0.00 H new ATOM 582 N GLN A 37 5.943 7.739 -5.406 1.00 0.00 N ATOM 583 CA GLN A 37 5.383 6.659 -6.274 1.00 0.00 C ATOM 584 C GLN A 37 4.025 6.252 -5.698 1.00 0.00 C ATOM 585 O GLN A 37 3.722 6.574 -4.568 1.00 0.00 O ATOM 586 CB GLN A 37 6.335 5.446 -6.305 1.00 0.00 C ATOM 587 CG GLN A 37 6.473 4.806 -4.914 1.00 0.00 C ATOM 588 CD GLN A 37 7.441 5.619 -4.049 1.00 0.00 C ATOM 589 OE1 GLN A 37 7.754 5.233 -2.940 1.00 0.00 O ATOM 590 NE2 GLN A 37 7.942 6.728 -4.517 1.00 0.00 N ATOM 0 H GLN A 37 5.893 7.549 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 37 5.269 7.019 -7.297 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.961 4.706 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.316 5.760 -6.662 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.497 4.756 -4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.834 3.782 -5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.680 7.053 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.596 7.270 -3.952 1.00 0.00 H new ATOM 599 N PHE A 38 3.209 5.547 -6.445 1.00 0.00 N ATOM 600 CA PHE A 38 1.874 5.121 -5.906 1.00 0.00 C ATOM 601 C PHE A 38 1.704 3.622 -6.112 1.00 0.00 C ATOM 602 O PHE A 38 2.096 3.075 -7.121 1.00 0.00 O ATOM 603 CB PHE A 38 0.756 5.852 -6.646 1.00 0.00 C ATOM 604 CG PHE A 38 1.047 7.327 -6.648 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.981 7.836 -7.551 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.385 8.184 -5.761 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.261 9.204 -7.569 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.664 9.556 -5.779 1.00 0.00 C ATOM 609 CZ PHE A 38 1.601 10.066 -6.686 1.00 0.00 C ATOM 0 H PHE A 38 3.406 5.248 -7.400 1.00 0.00 H new ATOM 0 HA PHE A 38 1.825 5.362 -4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.679 5.483 -7.669 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.202 5.659 -6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.487 7.172 -8.236 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.339 7.788 -5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.987 9.597 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.157 10.220 -5.094 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.814 11.125 -6.704 1.00 0.00 H new ATOM 619 N VAL A 39 1.118 2.960 -5.153 1.00 0.00 N ATOM 620 CA VAL A 39 0.904 1.488 -5.250 1.00 0.00 C ATOM 621 C VAL A 39 -0.593 1.215 -5.322 1.00 0.00 C ATOM 622 O VAL A 39 -1.401 2.006 -4.880 1.00 0.00 O ATOM 623 CB VAL A 39 1.489 0.826 -3.995 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.983 0.589 -4.194 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.265 1.753 -2.799 1.00 0.00 C ATOM 0 H VAL A 39 0.773 3.384 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 39 1.391 1.087 -6.139 1.00 0.00 H new ATOM 0 HB VAL A 39 0.999 -0.131 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.399 0.119 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.137 -0.063 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.483 1.542 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.677 1.293 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.762 2.706 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.197 1.921 -2.664 1.00 0.00 H new ATOM 635 N TYR A 40 -0.960 0.095 -5.881 1.00 0.00 N ATOM 636 CA TYR A 40 -2.403 -0.264 -6.008 1.00 0.00 C ATOM 637 C TYR A 40 -2.672 -1.594 -5.327 1.00 0.00 C ATOM 638 O TYR A 40 -1.799 -2.428 -5.187 1.00 0.00 O ATOM 639 CB TYR A 40 -2.754 -0.398 -7.487 1.00 0.00 C ATOM 640 CG TYR A 40 -2.831 0.971 -8.096 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.661 1.643 -8.456 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.076 1.574 -8.286 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.739 2.923 -9.014 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.155 2.847 -8.844 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.987 3.527 -9.208 1.00 0.00 C ATOM 646 OH TYR A 40 -3.067 4.791 -9.761 1.00 0.00 O ATOM 0 H TYR A 40 -0.313 -0.597 -6.261 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.005 0.514 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.001 -0.997 -8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.706 -0.916 -7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.699 1.176 -8.304 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.978 1.053 -8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.837 3.445 -9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.119 3.310 -8.996 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.007 5.060 -9.827 1.00 0.00 H new ATOM 656 N SER A 41 -3.885 -1.796 -4.914 1.00 0.00 N ATOM 657 CA SER A 41 -4.232 -3.071 -4.249 1.00 0.00 C ATOM 658 C SER A 41 -5.745 -3.163 -4.052 1.00 0.00 C ATOM 659 O SER A 41 -6.408 -2.184 -3.764 1.00 0.00 O ATOM 660 CB SER A 41 -3.546 -3.128 -2.890 1.00 0.00 C ATOM 661 OG SER A 41 -3.744 -4.417 -2.326 1.00 0.00 O ATOM 0 H SER A 41 -4.652 -1.131 -5.009 1.00 0.00 H new ATOM 0 HA SER A 41 -3.900 -3.903 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.481 -2.923 -2.997 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.953 -2.362 -2.230 1.00 0.00 H new ATOM 0 HG SER A 41 -2.888 -4.768 -2.003 1.00 0.00 H new ATOM 667 N TRP A 42 -6.291 -4.343 -4.188 1.00 0.00 N ATOM 668 CA TRP A 42 -7.758 -4.536 -3.992 1.00 0.00 C ATOM 669 C TRP A 42 -8.003 -5.040 -2.565 1.00 0.00 C ATOM 670 O TRP A 42 -9.046 -5.584 -2.258 1.00 0.00 O ATOM 671 CB TRP A 42 -8.276 -5.567 -5.004 1.00 0.00 C ATOM 672 CG TRP A 42 -8.533 -4.909 -6.318 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.650 -4.827 -7.330 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.749 -4.251 -6.774 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.239 -4.148 -8.377 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.535 -3.775 -8.084 1.00 0.00 C ATOM 677 CE3 TRP A 42 -11.005 -4.028 -6.178 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.529 -3.092 -8.783 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -12.009 -3.338 -6.878 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.770 -2.876 -8.178 1.00 0.00 C ATOM 0 H TRP A 42 -5.777 -5.190 -4.429 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.283 -3.593 -4.144 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.546 -6.368 -5.126 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.193 -6.025 -4.632 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.647 -5.226 -7.324 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.773 -3.946 -9.261 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.197 -4.389 -5.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.342 -2.733 -9.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.968 -3.164 -6.412 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.547 -2.351 -8.715 1.00 0.00 H new ATOM 691 N LYS A 43 -7.043 -4.867 -1.692 1.00 0.00 N ATOM 692 CA LYS A 43 -7.213 -5.337 -0.280 1.00 0.00 C ATOM 693 C LYS A 43 -6.539 -4.359 0.688 1.00 0.00 C ATOM 694 O LYS A 43 -5.500 -3.800 0.399 1.00 0.00 O ATOM 695 CB LYS A 43 -6.580 -6.724 -0.128 1.00 0.00 C ATOM 696 CG LYS A 43 -5.295 -6.811 -0.954 1.00 0.00 C ATOM 697 CD LYS A 43 -4.471 -8.029 -0.507 1.00 0.00 C ATOM 698 CE LYS A 43 -5.164 -9.330 -0.939 1.00 0.00 C ATOM 699 NZ LYS A 43 -6.319 -9.618 -0.040 1.00 0.00 N ATOM 0 H LYS A 43 -6.148 -4.421 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.277 -5.389 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.360 -6.919 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.283 -7.491 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.538 -6.893 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.710 -5.900 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.472 -7.980 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.349 -8.016 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.508 -9.243 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.454 -10.157 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.308 -10.623 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.248 -9.030 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.207 -9.402 -0.536 1.00 0.00 H new ATOM 713 N LEU A 44 -7.118 -4.169 1.848 1.00 0.00 N ATOM 714 CA LEU A 44 -6.519 -3.248 2.858 1.00 0.00 C ATOM 715 C LEU A 44 -5.651 -4.073 3.810 1.00 0.00 C ATOM 716 O LEU A 44 -4.549 -3.689 4.150 1.00 0.00 O ATOM 717 CB LEU A 44 -7.647 -2.549 3.646 1.00 0.00 C ATOM 718 CG LEU A 44 -7.068 -1.634 4.743 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.376 -0.417 4.110 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.208 -1.153 5.644 1.00 0.00 C ATOM 0 H LEU A 44 -7.987 -4.617 2.139 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.910 -2.489 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.262 -1.961 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.298 -3.298 4.098 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.337 -2.193 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.972 0.221 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.566 -0.755 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.099 0.147 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.807 -0.505 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.933 -0.599 5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.697 -2.013 6.103 1.00 0.00 H new ATOM 732 N VAL A 45 -6.151 -5.209 4.239 1.00 0.00 N ATOM 733 CA VAL A 45 -5.382 -6.094 5.172 1.00 0.00 C ATOM 734 C VAL A 45 -5.146 -7.453 4.503 1.00 0.00 C ATOM 735 O VAL A 45 -5.731 -7.765 3.484 1.00 0.00 O ATOM 736 CB VAL A 45 -6.178 -6.292 6.469 1.00 0.00 C ATOM 737 CG1 VAL A 45 -6.177 -4.990 7.279 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.627 -6.685 6.137 1.00 0.00 C ATOM 0 H VAL A 45 -7.071 -5.564 3.979 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.424 -5.630 5.405 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.713 -7.086 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.743 -5.134 8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.151 -4.714 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.636 -4.195 6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.187 -6.824 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.092 -5.896 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.631 -7.614 5.567 1.00 0.00 H new ATOM 748 N ALA A 46 -4.277 -8.251 5.062 1.00 0.00 N ATOM 749 CA ALA A 46 -3.971 -9.585 4.465 1.00 0.00 C ATOM 750 C ALA A 46 -5.138 -10.557 4.651 1.00 0.00 C ATOM 751 O ALA A 46 -5.170 -11.619 4.056 1.00 0.00 O ATOM 752 CB ALA A 46 -2.718 -10.153 5.132 1.00 0.00 C ATOM 0 H ALA A 46 -3.761 -8.035 5.915 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.806 -9.458 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.487 -11.128 4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.880 -9.476 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.893 -10.261 6.202 1.00 0.00 H new ATOM 758 N THR A 47 -6.086 -10.225 5.475 1.00 0.00 N ATOM 759 CA THR A 47 -7.226 -11.145 5.705 1.00 0.00 C ATOM 760 C THR A 47 -8.317 -10.903 4.658 1.00 0.00 C ATOM 761 O THR A 47 -9.268 -11.653 4.549 1.00 0.00 O ATOM 762 CB THR A 47 -7.776 -10.859 7.097 1.00 0.00 C ATOM 763 OG1 THR A 47 -6.693 -10.669 7.997 1.00 0.00 O ATOM 764 CG2 THR A 47 -8.611 -12.038 7.549 1.00 0.00 C ATOM 0 H THR A 47 -6.120 -9.352 6.001 1.00 0.00 H new ATOM 0 HA THR A 47 -6.899 -12.182 5.625 1.00 0.00 H new ATOM 0 HB THR A 47 -8.393 -9.960 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.042 -10.483 8.894 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.009 -11.842 8.545 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.435 -12.188 6.852 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.991 -12.934 7.576 1.00 0.00 H new ATOM 772 N ASP A 48 -8.191 -9.859 3.890 1.00 0.00 N ATOM 773 CA ASP A 48 -9.219 -9.561 2.854 1.00 0.00 C ATOM 774 C ASP A 48 -9.168 -10.601 1.733 1.00 0.00 C ATOM 775 O ASP A 48 -8.235 -11.368 1.617 1.00 0.00 O ATOM 776 CB ASP A 48 -8.947 -8.180 2.266 1.00 0.00 C ATOM 777 CG ASP A 48 -9.277 -7.101 3.300 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.899 -7.433 4.295 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.899 -5.961 3.081 1.00 0.00 O ATOM 0 H ASP A 48 -7.417 -9.196 3.935 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.206 -9.589 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.902 -8.102 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.548 -8.032 1.369 1.00 0.00 H new ATOM 784 N ARG A 49 -10.174 -10.612 0.898 1.00 0.00 N ATOM 785 CA ARG A 49 -10.221 -11.579 -0.242 1.00 0.00 C ATOM 786 C ARG A 49 -10.777 -10.843 -1.462 1.00 0.00 C ATOM 787 O ARG A 49 -11.879 -10.332 -1.442 1.00 0.00 O ATOM 788 CB ARG A 49 -11.125 -12.760 0.145 1.00 0.00 C ATOM 789 CG ARG A 49 -10.966 -13.940 -0.848 1.00 0.00 C ATOM 790 CD ARG A 49 -12.067 -13.899 -1.907 1.00 0.00 C ATOM 791 NE ARG A 49 -11.753 -14.901 -2.966 1.00 0.00 N ATOM 792 CZ ARG A 49 -12.664 -15.248 -3.833 1.00 0.00 C ATOM 793 NH1 ARG A 49 -13.829 -14.661 -3.827 1.00 0.00 N ATOM 794 NH2 ARG A 49 -12.396 -16.163 -4.724 1.00 0.00 N ATOM 0 H ARG A 49 -10.976 -9.984 0.957 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.229 -11.966 -0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.879 -13.094 1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.165 -12.434 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.989 -13.890 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.007 -14.886 -0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.034 -14.119 -1.455 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.137 -12.901 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.823 -15.317 -3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.028 -13.930 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.541 -14.933 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.477 -16.604 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.106 -16.437 -5.403 1.00 0.00 H new ATOM 808 N VAL A 50 -10.004 -10.752 -2.515 1.00 0.00 N ATOM 809 CA VAL A 50 -10.465 -10.010 -3.718 1.00 0.00 C ATOM 810 C VAL A 50 -11.526 -10.826 -4.469 1.00 0.00 C ATOM 811 O VAL A 50 -11.493 -12.041 -4.460 1.00 0.00 O ATOM 812 CB VAL A 50 -9.268 -9.759 -4.639 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.200 -8.971 -3.888 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.681 -11.097 -5.104 1.00 0.00 C ATOM 0 H VAL A 50 -9.073 -11.162 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.904 -9.061 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.599 -9.188 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.349 -8.794 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.613 -8.016 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.873 -9.539 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.830 -10.913 -5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.354 -11.672 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.441 -11.659 -5.647 1.00 0.00 H new ATOM 824 N PRO A 51 -12.465 -10.166 -5.111 1.00 0.00 N ATOM 825 CA PRO A 51 -13.555 -10.850 -5.868 1.00 0.00 C ATOM 826 C PRO A 51 -13.036 -11.547 -7.121 1.00 0.00 C ATOM 827 O PRO A 51 -12.006 -11.197 -7.662 1.00 0.00 O ATOM 828 CB PRO A 51 -14.516 -9.711 -6.242 1.00 0.00 C ATOM 829 CG PRO A 51 -13.662 -8.485 -6.262 1.00 0.00 C ATOM 830 CD PRO A 51 -12.594 -8.698 -5.194 1.00 0.00 C ATOM 0 HA PRO A 51 -14.026 -11.636 -5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.979 -9.887 -7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.323 -9.619 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.209 -8.341 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.253 -7.594 -6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.650 -8.229 -5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.893 -8.268 -4.238 1.00 0.00 H new ATOM 838 N ALA A 52 -13.756 -12.523 -7.594 1.00 0.00 N ATOM 839 CA ALA A 52 -13.319 -13.233 -8.819 1.00 0.00 C ATOM 840 C ALA A 52 -12.965 -12.208 -9.899 1.00 0.00 C ATOM 841 O ALA A 52 -13.501 -11.116 -9.937 1.00 0.00 O ATOM 842 CB ALA A 52 -14.438 -14.156 -9.303 1.00 0.00 C ATOM 0 H ALA A 52 -14.628 -12.858 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.438 -13.837 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.115 -14.678 -10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.671 -14.884 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.327 -13.565 -9.524 1.00 0.00 H new ATOM 848 N GLY A 53 -12.054 -12.552 -10.765 1.00 0.00 N ATOM 849 CA GLY A 53 -11.630 -11.610 -11.843 1.00 0.00 C ATOM 850 C GLY A 53 -10.308 -10.958 -11.437 1.00 0.00 C ATOM 851 O GLY A 53 -9.412 -10.797 -12.241 1.00 0.00 O ATOM 0 H GLY A 53 -11.579 -13.455 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.513 -12.144 -12.786 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.394 -10.848 -12.000 1.00 0.00 H new ATOM 855 N LYS A 54 -10.182 -10.584 -10.188 1.00 0.00 N ATOM 856 CA LYS A 54 -8.930 -9.947 -9.704 1.00 0.00 C ATOM 857 C LYS A 54 -8.065 -11.008 -9.022 1.00 0.00 C ATOM 858 O LYS A 54 -8.533 -11.772 -8.202 1.00 0.00 O ATOM 859 CB LYS A 54 -9.298 -8.865 -8.692 1.00 0.00 C ATOM 860 CG LYS A 54 -10.470 -8.034 -9.224 1.00 0.00 C ATOM 861 CD LYS A 54 -10.114 -7.445 -10.589 1.00 0.00 C ATOM 862 CE LYS A 54 -11.147 -6.385 -10.970 1.00 0.00 C ATOM 863 NZ LYS A 54 -10.832 -5.851 -12.323 1.00 0.00 N ATOM 0 H LYS A 54 -10.906 -10.697 -9.478 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.380 -9.508 -10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.567 -9.321 -7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.439 -8.221 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.360 -8.657 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.707 -7.233 -8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.118 -7.003 -10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.090 -8.233 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.148 -6.817 -10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.142 -5.577 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.534 -5.129 -12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.884 -5.424 -12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.858 -6.626 -13.017 1.00 0.00 H new ATOM 877 N ARG A 55 -6.812 -11.066 -9.353 1.00 0.00 N ATOM 878 CA ARG A 55 -5.928 -12.080 -8.721 1.00 0.00 C ATOM 879 C ARG A 55 -5.560 -11.639 -7.306 1.00 0.00 C ATOM 880 O ARG A 55 -5.603 -10.468 -6.978 1.00 0.00 O ATOM 881 CB ARG A 55 -4.652 -12.212 -9.557 1.00 0.00 C ATOM 882 CG ARG A 55 -4.153 -10.806 -9.967 1.00 0.00 C ATOM 883 CD ARG A 55 -4.601 -10.475 -11.397 1.00 0.00 C ATOM 884 NE ARG A 55 -4.567 -9.001 -11.596 1.00 0.00 N ATOM 885 CZ ARG A 55 -4.597 -8.511 -12.803 1.00 0.00 C ATOM 886 NH1 ARG A 55 -4.707 -9.314 -13.824 1.00 0.00 N ATOM 887 NH2 ARG A 55 -4.525 -7.222 -12.989 1.00 0.00 N ATOM 0 H ARG A 55 -6.359 -10.456 -10.034 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.447 -13.037 -8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.882 -12.730 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.847 -12.813 -10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.542 -10.059 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.066 -10.766 -9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.947 -10.966 -12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.608 -10.854 -11.571 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.520 -8.377 -10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.769 -10.321 -13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.731 -8.935 -14.771 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.445 -6.595 -12.189 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.549 -6.841 -13.935 1.00 0.00 H new ATOM 901 N ASP A 56 -5.185 -12.568 -6.470 1.00 0.00 N ATOM 902 CA ASP A 56 -4.790 -12.201 -5.081 1.00 0.00 C ATOM 903 C ASP A 56 -3.705 -11.123 -5.150 1.00 0.00 C ATOM 904 O ASP A 56 -3.056 -10.955 -6.165 1.00 0.00 O ATOM 905 CB ASP A 56 -4.243 -13.432 -4.354 1.00 0.00 C ATOM 906 CG ASP A 56 -5.387 -14.399 -4.032 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.532 -13.987 -4.119 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.096 -15.535 -3.695 1.00 0.00 O ATOM 0 H ASP A 56 -5.135 -13.563 -6.688 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.657 -11.826 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.498 -13.930 -4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.742 -13.129 -3.435 1.00 0.00 H new ATOM 913 N CYS A 57 -3.503 -10.386 -4.094 1.00 0.00 N ATOM 914 CA CYS A 57 -2.462 -9.319 -4.114 1.00 0.00 C ATOM 915 C CYS A 57 -1.881 -9.160 -2.715 1.00 0.00 C ATOM 916 O CYS A 57 -2.311 -9.792 -1.772 1.00 0.00 O ATOM 917 CB CYS A 57 -3.095 -7.994 -4.547 1.00 0.00 C ATOM 918 SG CYS A 57 -4.067 -8.250 -6.054 1.00 0.00 S ATOM 0 H CYS A 57 -4.014 -10.476 -3.216 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.674 -9.593 -4.815 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.733 -7.607 -3.752 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.319 -7.249 -4.725 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.773 -9.407 -6.569 1.00 0.00 H new ATOM 924 N ILE A 58 -0.901 -8.317 -2.576 1.00 0.00 N ATOM 925 CA ILE A 58 -0.281 -8.097 -1.239 1.00 0.00 C ATOM 926 C ILE A 58 -0.996 -6.941 -0.547 1.00 0.00 C ATOM 927 O ILE A 58 -1.114 -5.865 -1.097 1.00 0.00 O ATOM 928 CB ILE A 58 1.198 -7.757 -1.412 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.889 -8.898 -2.165 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.848 -7.578 -0.035 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.263 -8.428 -2.640 1.00 0.00 C ATOM 0 H ILE A 58 -0.498 -7.766 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.371 -9.000 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 58 1.300 -6.831 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.993 -9.767 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.283 -9.207 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.903 -7.335 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.350 -6.769 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.753 -8.502 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.759 -9.237 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.145 -7.571 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.867 -8.140 -1.779 1.00 0.00 H new ATOM 943 N SER A 59 -1.470 -7.142 0.653 1.00 0.00 N ATOM 944 CA SER A 59 -2.168 -6.040 1.362 1.00 0.00 C ATOM 945 C SER A 59 -1.235 -4.836 1.421 1.00 0.00 C ATOM 946 O SER A 59 -0.030 -4.976 1.478 1.00 0.00 O ATOM 947 CB SER A 59 -2.522 -6.488 2.774 1.00 0.00 C ATOM 948 OG SER A 59 -3.083 -5.395 3.482 1.00 0.00 O ATOM 0 H SER A 59 -1.403 -8.020 1.169 1.00 0.00 H new ATOM 0 HA SER A 59 -3.085 -5.774 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.230 -7.316 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.632 -6.851 3.287 1.00 0.00 H new ATOM 0 HG SER A 59 -3.543 -4.800 2.854 1.00 0.00 H new ATOM 954 N LEU A 60 -1.772 -3.655 1.403 1.00 0.00 N ATOM 955 CA LEU A 60 -0.897 -2.459 1.448 1.00 0.00 C ATOM 956 C LEU A 60 -0.046 -2.499 2.714 1.00 0.00 C ATOM 957 O LEU A 60 1.163 -2.384 2.661 1.00 0.00 O ATOM 958 CB LEU A 60 -1.763 -1.195 1.454 1.00 0.00 C ATOM 959 CG LEU A 60 -2.304 -0.922 0.045 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.366 0.185 0.118 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.159 -0.493 -0.902 1.00 0.00 C ATOM 0 H LEU A 60 -2.773 -3.466 1.359 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.246 -2.450 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.591 -1.315 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.176 -0.344 1.798 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.751 -1.835 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.754 0.383 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.181 -0.135 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.918 1.094 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.562 -0.304 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.692 0.415 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.415 -1.288 -0.957 1.00 0.00 H new ATOM 973 N ARG A 61 -0.648 -2.664 3.855 1.00 0.00 N ATOM 974 CA ARG A 61 0.165 -2.698 5.103 1.00 0.00 C ATOM 975 C ARG A 61 1.332 -3.675 4.912 1.00 0.00 C ATOM 976 O ARG A 61 2.437 -3.437 5.358 1.00 0.00 O ATOM 977 CB ARG A 61 -0.703 -3.137 6.292 1.00 0.00 C ATOM 978 CG ARG A 61 -2.099 -2.501 6.201 1.00 0.00 C ATOM 979 CD ARG A 61 -1.976 -0.984 6.029 1.00 0.00 C ATOM 980 NE ARG A 61 -3.328 -0.357 6.179 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.455 0.936 6.272 1.00 0.00 C ATOM 982 NH1 ARG A 61 -2.410 1.712 6.198 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.643 1.450 6.424 1.00 0.00 N ATOM 0 H ARG A 61 -1.654 -2.776 3.980 1.00 0.00 H new ATOM 0 HA ARG A 61 0.553 -1.701 5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.792 -4.223 6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.224 -2.846 7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.647 -2.927 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.670 -2.728 7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.289 -0.577 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.561 -0.750 5.049 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.158 -0.949 6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.483 1.308 6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.520 2.723 6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.460 0.841 6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.756 2.461 6.498 1.00 0.00 H new ATOM 997 N GLU A 62 1.097 -4.763 4.223 1.00 0.00 N ATOM 998 CA GLU A 62 2.189 -5.752 3.970 1.00 0.00 C ATOM 999 C GLU A 62 3.162 -5.181 2.925 1.00 0.00 C ATOM 1000 O GLU A 62 4.367 -5.286 3.061 1.00 0.00 O ATOM 1001 CB GLU A 62 1.575 -7.058 3.443 1.00 0.00 C ATOM 1002 CG GLU A 62 0.979 -7.873 4.598 1.00 0.00 C ATOM 1003 CD GLU A 62 0.617 -9.273 4.095 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -0.162 -9.360 3.159 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.123 -10.231 4.655 1.00 0.00 O ATOM 0 H GLU A 62 0.192 -5.010 3.823 1.00 0.00 H new ATOM 0 HA GLU A 62 2.729 -5.950 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.800 -6.833 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.337 -7.645 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.695 -7.942 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.093 -7.375 4.991 1.00 0.00 H new ATOM 1012 N LYS A 63 2.641 -4.587 1.882 1.00 0.00 N ATOM 1013 CA LYS A 63 3.511 -4.013 0.817 1.00 0.00 C ATOM 1014 C LYS A 63 4.334 -2.851 1.394 1.00 0.00 C ATOM 1015 O LYS A 63 5.518 -2.738 1.142 1.00 0.00 O ATOM 1016 CB LYS A 63 2.605 -3.508 -0.332 1.00 0.00 C ATOM 1017 CG LYS A 63 3.218 -3.860 -1.698 1.00 0.00 C ATOM 1018 CD LYS A 63 2.419 -3.186 -2.843 1.00 0.00 C ATOM 1019 CE LYS A 63 2.245 -4.169 -4.002 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.616 -3.481 -5.164 1.00 0.00 N ATOM 0 H LYS A 63 1.640 -4.475 1.723 1.00 0.00 H new ATOM 0 HA LYS A 63 4.198 -4.770 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.615 -3.955 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.475 -2.429 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.258 -3.534 -1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.219 -4.941 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.444 -2.864 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.941 -2.293 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.213 -4.578 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.626 -5.009 -3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.502 -4.156 -5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.684 -3.112 -4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.223 -2.694 -5.471 1.00 0.00 H new ATOM 1034 N ILE A 64 3.713 -1.986 2.162 1.00 0.00 N ATOM 1035 CA ILE A 64 4.461 -0.829 2.749 1.00 0.00 C ATOM 1036 C ILE A 64 5.626 -1.363 3.588 1.00 0.00 C ATOM 1037 O ILE A 64 6.740 -0.894 3.484 1.00 0.00 O ATOM 1038 CB ILE A 64 3.506 0.026 3.630 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.679 1.003 2.754 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.305 0.836 4.672 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.476 0.285 2.156 1.00 0.00 C ATOM 0 H ILE A 64 2.724 -2.031 2.407 1.00 0.00 H new ATOM 0 HA ILE A 64 4.851 -0.197 1.951 1.00 0.00 H new ATOM 0 HB ILE A 64 2.830 -0.657 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.345 1.848 3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.304 1.406 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.618 1.427 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.861 0.154 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.001 1.500 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.904 0.982 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.818 -0.545 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.844 -0.096 2.958 1.00 0.00 H new ATOM 1053 N ALA A 65 5.380 -2.329 4.420 1.00 0.00 N ATOM 1054 CA ALA A 65 6.484 -2.871 5.257 1.00 0.00 C ATOM 1055 C ALA A 65 7.600 -3.421 4.356 1.00 0.00 C ATOM 1056 O ALA A 65 8.769 -3.162 4.569 1.00 0.00 O ATOM 1057 CB ALA A 65 5.945 -3.995 6.145 1.00 0.00 C ATOM 0 H ALA A 65 4.469 -2.766 4.558 1.00 0.00 H new ATOM 0 HA ALA A 65 6.887 -2.073 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.753 -4.393 6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.158 -3.604 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.539 -4.790 5.519 1.00 0.00 H new ATOM 1063 N GLU A 66 7.247 -4.186 3.359 1.00 0.00 N ATOM 1064 CA GLU A 66 8.283 -4.765 2.452 1.00 0.00 C ATOM 1065 C GLU A 66 8.894 -3.679 1.558 1.00 0.00 C ATOM 1066 O GLU A 66 10.077 -3.688 1.283 1.00 0.00 O ATOM 1067 CB GLU A 66 7.633 -5.821 1.558 1.00 0.00 C ATOM 1068 CG GLU A 66 7.174 -7.015 2.402 1.00 0.00 C ATOM 1069 CD GLU A 66 8.389 -7.801 2.902 1.00 0.00 C ATOM 1070 OE1 GLU A 66 9.479 -7.548 2.416 1.00 0.00 O ATOM 1071 OE2 GLU A 66 8.204 -8.653 3.756 1.00 0.00 O ATOM 0 H GLU A 66 6.285 -4.436 3.132 1.00 0.00 H new ATOM 0 HA GLU A 66 9.069 -5.207 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.782 -5.389 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.342 -6.153 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.583 -6.666 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.530 -7.664 1.809 1.00 0.00 H new ATOM 1078 N LEU A 67 8.098 -2.772 1.067 1.00 0.00 N ATOM 1079 CA LEU A 67 8.640 -1.724 0.157 1.00 0.00 C ATOM 1080 C LEU A 67 9.608 -0.781 0.877 1.00 0.00 C ATOM 1081 O LEU A 67 10.643 -0.462 0.350 1.00 0.00 O ATOM 1082 CB LEU A 67 7.477 -0.914 -0.438 1.00 0.00 C ATOM 1083 CG LEU A 67 6.799 -1.702 -1.570 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.530 -0.959 -1.995 1.00 0.00 C ATOM 1085 CD2 LEU A 67 7.754 -1.848 -2.783 1.00 0.00 C ATOM 0 H LEU A 67 7.097 -2.710 1.255 1.00 0.00 H new ATOM 0 HA LEU A 67 9.197 -2.225 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.749 -0.685 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.846 0.038 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 67 6.547 -2.701 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.039 -1.508 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.853 -0.878 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.793 0.039 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.255 -2.409 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.024 -0.859 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.655 -2.378 -2.475 1.00 0.00 H new ATOM 1097 N GLN A 68 9.294 -0.306 2.050 1.00 0.00 N ATOM 1098 CA GLN A 68 10.239 0.639 2.719 1.00 0.00 C ATOM 1099 C GLN A 68 11.445 -0.125 3.282 1.00 0.00 C ATOM 1100 O GLN A 68 12.510 0.432 3.463 1.00 0.00 O ATOM 1101 CB GLN A 68 9.516 1.379 3.851 1.00 0.00 C ATOM 1102 CG GLN A 68 8.287 2.080 3.280 1.00 0.00 C ATOM 1103 CD GLN A 68 7.603 2.908 4.370 1.00 0.00 C ATOM 1104 OE1 GLN A 68 7.883 2.752 5.542 1.00 0.00 O ATOM 1105 NE2 GLN A 68 6.704 3.788 4.026 1.00 0.00 N ATOM 0 H GLN A 68 8.443 -0.524 2.568 1.00 0.00 H new ATOM 0 HA GLN A 68 10.594 1.362 1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.221 0.677 4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.184 2.106 4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.578 2.725 2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.590 1.343 2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.469 3.919 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.236 4.345 4.741 1.00 0.00 H new