USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=15 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 Set 1.1: A 8 ASN : amide:sc= 0.183 K(o=-5.8,f=-9.4!) USER MOD Set 1.2: A 19 GLN : amide:sc= -6.01! C(o=-5.8!,f=-5.7!) USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= -0.046 (180deg=-0.616) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -46:sc= 0.0895 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -1.08 (180deg=-1.98!) USER MOD Single : A 25 TYR OH : rot -178:sc= -0.649 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -53:sc= 0.106 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.271 F(o=-0.85,f=-0.27) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 SER OG : rot 101:sc= -0.339 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -0.255 (180deg=-0.825) USER MOD Single : A 59 SER OG : rot 90:sc= -9.36! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.908 F(o=-1.6,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.646 -4.332 10.429 1.00 0.00 N ATOM 63 CA ARG A 6 12.645 -3.304 11.519 1.00 0.00 C ATOM 64 C ARG A 6 11.867 -2.069 11.056 1.00 0.00 C ATOM 65 O ARG A 6 11.703 -1.835 9.874 1.00 0.00 O ATOM 66 CB ARG A 6 14.097 -2.902 11.829 1.00 0.00 C ATOM 67 CG ARG A 6 14.178 -2.180 13.199 1.00 0.00 C ATOM 68 CD ARG A 6 14.672 -3.144 14.284 1.00 0.00 C ATOM 69 NE ARG A 6 16.010 -3.675 13.903 1.00 0.00 N ATOM 70 CZ ARG A 6 16.752 -4.272 14.794 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.314 -4.416 16.015 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.930 -4.726 14.464 1.00 0.00 N ATOM 0 HA ARG A 6 12.174 -3.716 12.412 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.732 -3.788 11.840 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.476 -2.248 11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.852 -1.326 13.128 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.197 -1.790 13.470 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.733 -2.629 15.243 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.965 -3.964 14.407 1.00 0.00 H new ATOM 0 HE ARG A 6 16.346 -3.572 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.392 -4.062 16.271 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.893 -4.883 16.713 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.271 -4.614 13.509 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.510 -5.193 15.161 1.00 0.00 H new ATOM 86 N ASP A 7 11.389 -1.275 11.976 1.00 0.00 N ATOM 87 CA ASP A 7 10.624 -0.056 11.589 1.00 0.00 C ATOM 88 C ASP A 7 11.599 1.072 11.244 1.00 0.00 C ATOM 89 O ASP A 7 12.742 0.836 10.905 1.00 0.00 O ATOM 90 CB ASP A 7 9.731 0.377 12.752 1.00 0.00 C ATOM 91 CG ASP A 7 10.600 0.733 13.959 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.551 0.012 14.213 1.00 0.00 O ATOM 93 OD2 ASP A 7 10.300 1.720 14.609 1.00 0.00 O ATOM 0 H ASP A 7 11.496 -1.419 12.980 1.00 0.00 H new ATOM 0 HA ASP A 7 10.005 -0.277 10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.127 1.236 12.460 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.040 -0.425 13.012 1.00 0.00 H new ATOM 98 N ASN A 8 11.152 2.298 11.316 1.00 0.00 N ATOM 99 CA ASN A 8 12.046 3.448 10.981 1.00 0.00 C ATOM 100 C ASN A 8 12.768 3.946 12.238 1.00 0.00 C ATOM 101 O ASN A 8 13.654 4.773 12.161 1.00 0.00 O ATOM 102 CB ASN A 8 11.207 4.587 10.400 1.00 0.00 C ATOM 103 CG ASN A 8 10.507 4.106 9.128 1.00 0.00 C ATOM 104 OD1 ASN A 8 9.668 3.229 9.176 1.00 0.00 O ATOM 105 ND2 ASN A 8 10.819 4.647 7.981 1.00 0.00 N ATOM 0 H ASN A 8 10.204 2.554 11.593 1.00 0.00 H new ATOM 0 HA ASN A 8 12.787 3.119 10.253 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.469 4.919 11.131 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.842 5.444 10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.358 4.333 7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.523 5.384 7.939 1.00 0.00 H new ATOM 112 N ARG A 9 12.394 3.455 13.395 1.00 0.00 N ATOM 113 CA ARG A 9 13.056 3.906 14.664 1.00 0.00 C ATOM 114 C ARG A 9 14.000 2.806 15.168 1.00 0.00 C ATOM 115 O ARG A 9 15.137 2.718 14.749 1.00 0.00 O ATOM 116 CB ARG A 9 11.981 4.195 15.723 1.00 0.00 C ATOM 117 CG ARG A 9 10.992 5.257 15.204 1.00 0.00 C ATOM 118 CD ARG A 9 11.526 6.673 15.475 1.00 0.00 C ATOM 119 NE ARG A 9 10.931 7.619 14.488 1.00 0.00 N ATOM 120 CZ ARG A 9 10.993 8.905 14.696 1.00 0.00 C ATOM 121 NH1 ARG A 9 11.571 9.366 15.771 1.00 0.00 N ATOM 122 NH2 ARG A 9 10.477 9.732 13.827 1.00 0.00 N ATOM 0 H ARG A 9 11.658 2.760 13.517 1.00 0.00 H new ATOM 0 HA ARG A 9 13.631 4.813 14.476 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.445 3.278 15.967 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.451 4.544 16.642 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.833 5.121 14.134 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.024 5.128 15.689 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.274 6.981 16.490 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.613 6.685 15.399 1.00 0.00 H new ATOM 0 HE ARG A 9 10.475 7.260 13.649 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.975 8.720 16.450 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.619 10.372 15.933 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.026 9.372 12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.525 10.738 13.989 1.00 0.00 H new ATOM 136 N GLY A 10 13.546 1.969 16.064 1.00 0.00 N ATOM 137 CA GLY A 10 14.428 0.884 16.587 1.00 0.00 C ATOM 138 C GLY A 10 13.565 -0.266 17.110 1.00 0.00 C ATOM 139 O GLY A 10 14.042 -1.159 17.780 1.00 0.00 O ATOM 0 H GLY A 10 12.604 1.990 16.456 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.090 0.527 15.798 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.062 1.269 17.385 1.00 0.00 H new ATOM 143 N ARG A 11 12.297 -0.252 16.804 1.00 0.00 N ATOM 144 CA ARG A 11 11.398 -1.340 17.278 1.00 0.00 C ATOM 145 C ARG A 11 11.495 -2.526 16.313 1.00 0.00 C ATOM 146 O ARG A 11 12.424 -2.625 15.540 1.00 0.00 O ATOM 147 CB ARG A 11 9.960 -0.814 17.323 1.00 0.00 C ATOM 148 CG ARG A 11 9.770 0.044 18.577 1.00 0.00 C ATOM 149 CD ARG A 11 8.345 0.597 18.615 1.00 0.00 C ATOM 150 NE ARG A 11 8.026 1.244 17.311 1.00 0.00 N ATOM 151 CZ ARG A 11 6.789 1.535 17.014 1.00 0.00 C ATOM 152 NH1 ARG A 11 5.837 1.288 17.872 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.506 2.078 15.863 1.00 0.00 N ATOM 0 H ARG A 11 11.844 0.470 16.244 1.00 0.00 H new ATOM 0 HA ARG A 11 11.693 -1.666 18.276 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.749 -0.225 16.431 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.257 -1.647 17.329 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.963 -0.552 19.469 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.488 0.864 18.580 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.637 -0.207 18.817 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.246 1.320 19.425 1.00 0.00 H new ATOM 0 HE ARG A 11 8.774 1.459 16.651 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.060 0.868 18.774 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.870 1.515 17.640 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.251 2.275 15.195 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.539 2.306 15.630 1.00 0.00 H new ATOM 167 N ILE A 12 10.547 -3.429 16.356 1.00 0.00 N ATOM 168 CA ILE A 12 10.584 -4.619 15.444 1.00 0.00 C ATOM 169 C ILE A 12 9.191 -4.836 14.838 1.00 0.00 C ATOM 170 O ILE A 12 8.217 -5.006 15.543 1.00 0.00 O ATOM 171 CB ILE A 12 10.984 -5.864 16.260 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.484 -5.790 16.643 1.00 0.00 C ATOM 173 CG2 ILE A 12 10.701 -7.141 15.448 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.374 -6.352 15.522 1.00 0.00 C ATOM 0 H ILE A 12 9.745 -3.395 16.985 1.00 0.00 H new ATOM 0 HA ILE A 12 11.307 -4.452 14.646 1.00 0.00 H new ATOM 0 HB ILE A 12 10.392 -5.893 17.175 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.760 -4.755 16.845 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.655 -6.351 17.562 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.987 -8.015 16.033 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.638 -7.194 15.212 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.277 -7.119 14.523 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.420 -6.286 15.821 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.114 -7.395 15.339 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.220 -5.774 14.611 1.00 0.00 H new ATOM 186 N LEU A 13 9.094 -4.847 13.535 1.00 0.00 N ATOM 187 CA LEU A 13 7.770 -5.073 12.885 1.00 0.00 C ATOM 188 C LEU A 13 7.563 -6.577 12.695 1.00 0.00 C ATOM 189 O LEU A 13 8.505 -7.320 12.507 1.00 0.00 O ATOM 190 CB LEU A 13 7.741 -4.390 11.515 1.00 0.00 C ATOM 191 CG LEU A 13 8.040 -2.892 11.664 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.004 -2.227 10.280 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.994 -2.236 12.585 1.00 0.00 C ATOM 0 H LEU A 13 9.874 -4.709 12.893 1.00 0.00 H new ATOM 0 HA LEU A 13 6.981 -4.658 13.513 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.476 -4.851 10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.764 -4.529 11.052 1.00 0.00 H new ATOM 0 HG LEU A 13 9.028 -2.763 12.105 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.216 -1.163 10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.754 -2.686 9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.016 -2.359 9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.213 -1.173 12.686 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.000 -2.362 12.155 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.027 -2.708 13.567 1.00 0.00 H new ATOM 205 N LYS A 14 6.340 -7.036 12.741 1.00 0.00 N ATOM 206 CA LYS A 14 6.086 -8.497 12.562 1.00 0.00 C ATOM 207 C LYS A 14 5.904 -8.797 11.072 1.00 0.00 C ATOM 208 O LYS A 14 5.785 -7.905 10.255 1.00 0.00 O ATOM 209 CB LYS A 14 4.815 -8.896 13.338 1.00 0.00 C ATOM 210 CG LYS A 14 4.877 -10.380 13.749 1.00 0.00 C ATOM 211 CD LYS A 14 5.930 -10.595 14.874 1.00 0.00 C ATOM 212 CE LYS A 14 7.002 -11.604 14.433 1.00 0.00 C ATOM 213 NZ LYS A 14 6.354 -12.897 14.075 1.00 0.00 N ATOM 0 H LYS A 14 5.509 -6.465 12.894 1.00 0.00 H new ATOM 0 HA LYS A 14 6.931 -9.069 12.945 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.712 -8.271 14.225 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.934 -8.720 12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.897 -10.708 14.094 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.132 -10.992 12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.400 -9.644 15.124 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.436 -10.954 15.777 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.554 -11.213 13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.724 -11.757 15.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.022 -13.677 14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.509 -13.037 14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.078 -12.881 13.073 1.00 0.00 H new ATOM 227 N THR A 15 5.882 -10.050 10.715 1.00 0.00 N ATOM 228 CA THR A 15 5.707 -10.416 9.280 1.00 0.00 C ATOM 229 C THR A 15 4.347 -9.913 8.793 1.00 0.00 C ATOM 230 O THR A 15 3.318 -10.474 9.113 1.00 0.00 O ATOM 231 CB THR A 15 5.782 -11.945 9.127 1.00 0.00 C ATOM 232 OG1 THR A 15 7.133 -12.360 9.262 1.00 0.00 O ATOM 233 CG2 THR A 15 5.253 -12.376 7.747 1.00 0.00 C ATOM 0 H THR A 15 5.978 -10.839 11.355 1.00 0.00 H new ATOM 0 HA THR A 15 6.497 -9.958 8.685 1.00 0.00 H new ATOM 0 HB THR A 15 5.167 -12.408 9.899 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.187 -13.334 9.167 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.314 -13.461 7.657 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.215 -12.060 7.640 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.855 -11.913 6.966 1.00 0.00 H new ATOM 241 N GLY A 16 4.336 -8.862 8.012 1.00 0.00 N ATOM 242 CA GLY A 16 3.045 -8.320 7.491 1.00 0.00 C ATOM 243 C GLY A 16 3.069 -6.791 7.544 1.00 0.00 C ATOM 244 O GLY A 16 2.570 -6.123 6.661 1.00 0.00 O ATOM 0 H GLY A 16 5.169 -8.355 7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.886 -8.656 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.214 -8.701 8.084 1.00 0.00 H new ATOM 248 N GLU A 17 3.629 -6.231 8.583 1.00 0.00 N ATOM 249 CA GLU A 17 3.669 -4.743 8.707 1.00 0.00 C ATOM 250 C GLU A 17 4.934 -4.190 8.046 1.00 0.00 C ATOM 251 O GLU A 17 5.990 -4.789 8.093 1.00 0.00 O ATOM 252 CB GLU A 17 3.668 -4.360 10.190 1.00 0.00 C ATOM 253 CG GLU A 17 2.344 -4.780 10.832 1.00 0.00 C ATOM 254 CD GLU A 17 2.326 -6.298 11.025 1.00 0.00 C ATOM 255 OE1 GLU A 17 2.800 -6.749 12.054 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.838 -6.983 10.140 1.00 0.00 O ATOM 0 H GLU A 17 4.062 -6.740 9.353 1.00 0.00 H new ATOM 0 HA GLU A 17 2.795 -4.322 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.500 -4.844 10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.810 -3.285 10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.219 -4.280 11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.509 -4.473 10.202 1.00 0.00 H new ATOM 263 N SER A 18 4.828 -3.040 7.435 1.00 0.00 N ATOM 264 CA SER A 18 6.009 -2.419 6.769 1.00 0.00 C ATOM 265 C SER A 18 5.734 -0.926 6.587 1.00 0.00 C ATOM 266 O SER A 18 4.798 -0.394 7.146 1.00 0.00 O ATOM 267 CB SER A 18 6.232 -3.072 5.405 1.00 0.00 C ATOM 268 OG SER A 18 5.189 -2.681 4.521 1.00 0.00 O ATOM 0 H SER A 18 3.965 -2.500 7.369 1.00 0.00 H new ATOM 0 HA SER A 18 6.901 -2.562 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.199 -2.774 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.250 -4.157 5.507 1.00 0.00 H new ATOM 0 HG SER A 18 4.326 -2.758 4.979 1.00 0.00 H new ATOM 274 N GLN A 19 6.533 -0.242 5.808 1.00 0.00 N ATOM 275 CA GLN A 19 6.300 1.223 5.592 1.00 0.00 C ATOM 276 C GLN A 19 6.629 1.588 4.145 1.00 0.00 C ATOM 277 O GLN A 19 7.481 0.990 3.519 1.00 0.00 O ATOM 278 CB GLN A 19 7.197 2.037 6.531 1.00 0.00 C ATOM 279 CG GLN A 19 8.636 1.506 6.468 1.00 0.00 C ATOM 280 CD GLN A 19 8.772 0.271 7.360 1.00 0.00 C ATOM 281 OE1 GLN A 19 8.769 -0.846 6.880 1.00 0.00 O ATOM 282 NE2 GLN A 19 8.890 0.427 8.650 1.00 0.00 N ATOM 0 H GLN A 19 7.335 -0.631 5.312 1.00 0.00 H new ATOM 0 HA GLN A 19 5.254 1.450 5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.175 3.089 6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.821 1.974 7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.896 1.254 5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.333 2.279 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.892 1.364 9.052 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.980 -0.388 9.256 1.00 0.00 H new ATOM 291 N ARG A 20 5.958 2.574 3.608 1.00 0.00 N ATOM 292 CA ARG A 20 6.226 2.990 2.199 1.00 0.00 C ATOM 293 C ARG A 20 7.258 4.117 2.189 1.00 0.00 C ATOM 294 O ARG A 20 8.099 4.215 3.060 1.00 0.00 O ATOM 295 CB ARG A 20 4.929 3.492 1.557 1.00 0.00 C ATOM 296 CG ARG A 20 3.853 2.405 1.641 1.00 0.00 C ATOM 297 CD ARG A 20 2.728 2.723 0.650 1.00 0.00 C ATOM 298 NE ARG A 20 2.527 4.197 0.582 1.00 0.00 N ATOM 299 CZ ARG A 20 1.832 4.715 -0.394 1.00 0.00 C ATOM 300 NH1 ARG A 20 1.302 3.940 -1.300 1.00 0.00 N ATOM 301 NH2 ARG A 20 1.663 6.007 -0.461 1.00 0.00 N ATOM 0 H ARG A 20 5.234 3.110 4.086 1.00 0.00 H new ATOM 0 HA ARG A 20 6.607 2.137 1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.587 4.394 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.108 3.760 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.287 1.431 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.455 2.350 2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.978 2.334 -0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.805 2.234 0.962 1.00 0.00 H new ATOM 0 HE ARG A 20 2.932 4.801 1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.431 2.930 -1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.759 4.345 -2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.074 6.613 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.120 6.411 -1.224 1.00 0.00 H new ATOM 315 N LYS A 21 7.200 4.970 1.204 1.00 0.00 N ATOM 316 CA LYS A 21 8.173 6.093 1.124 1.00 0.00 C ATOM 317 C LYS A 21 7.728 7.228 2.052 1.00 0.00 C ATOM 318 O LYS A 21 8.512 8.068 2.443 1.00 0.00 O ATOM 319 CB LYS A 21 8.229 6.608 -0.319 1.00 0.00 C ATOM 320 CG LYS A 21 8.194 5.422 -1.294 1.00 0.00 C ATOM 321 CD LYS A 21 8.351 5.920 -2.750 1.00 0.00 C ATOM 322 CE LYS A 21 9.829 5.906 -3.163 1.00 0.00 C ATOM 323 NZ LYS A 21 10.597 6.871 -2.328 1.00 0.00 N ATOM 0 H LYS A 21 6.516 4.936 0.448 1.00 0.00 H new ATOM 0 HA LYS A 21 9.159 5.743 1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.387 7.274 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.137 7.191 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.994 4.721 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.254 4.882 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.773 5.286 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.951 6.930 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.239 4.903 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.924 6.168 -4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.479 7.126 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.027 7.727 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.822 6.435 -1.411 1.00 0.00 H new ATOM 337 N ASP A 22 6.470 7.263 2.394 1.00 0.00 N ATOM 338 CA ASP A 22 5.965 8.349 3.283 1.00 0.00 C ATOM 339 C ASP A 22 6.292 8.023 4.744 1.00 0.00 C ATOM 340 O ASP A 22 6.006 8.792 5.639 1.00 0.00 O ATOM 341 CB ASP A 22 4.450 8.481 3.109 1.00 0.00 C ATOM 342 CG ASP A 22 4.139 8.940 1.684 1.00 0.00 C ATOM 343 OD1 ASP A 22 4.797 9.857 1.221 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.249 8.364 1.079 1.00 0.00 O ATOM 0 H ASP A 22 5.768 6.586 2.096 1.00 0.00 H new ATOM 0 HA ASP A 22 6.447 9.289 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.966 7.525 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.052 9.197 3.828 1.00 0.00 H new ATOM 349 N GLY A 23 6.902 6.895 4.991 1.00 0.00 N ATOM 350 CA GLY A 23 7.261 6.530 6.394 1.00 0.00 C ATOM 351 C GLY A 23 6.040 5.979 7.133 1.00 0.00 C ATOM 352 O GLY A 23 6.166 5.369 8.177 1.00 0.00 O ATOM 0 H GLY A 23 7.168 6.210 4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.058 5.786 6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.645 7.406 6.917 1.00 0.00 H new ATOM 356 N ARG A 24 4.860 6.181 6.614 1.00 0.00 N ATOM 357 CA ARG A 24 3.655 5.652 7.315 1.00 0.00 C ATOM 358 C ARG A 24 3.681 4.126 7.263 1.00 0.00 C ATOM 359 O ARG A 24 4.375 3.537 6.457 1.00 0.00 O ATOM 360 CB ARG A 24 2.386 6.172 6.637 1.00 0.00 C ATOM 361 CG ARG A 24 2.357 5.722 5.173 1.00 0.00 C ATOM 362 CD ARG A 24 1.387 6.607 4.386 1.00 0.00 C ATOM 363 NE ARG A 24 1.880 8.014 4.401 1.00 0.00 N ATOM 364 CZ ARG A 24 1.386 8.888 3.568 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.444 8.535 2.741 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.830 10.115 3.563 1.00 0.00 N ATOM 0 H ARG A 24 4.678 6.683 5.745 1.00 0.00 H new ATOM 0 HA ARG A 24 3.660 5.986 8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.505 5.799 7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.353 7.260 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.356 5.786 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.048 4.679 5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.302 6.250 3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.391 6.554 4.825 1.00 0.00 H new ATOM 0 HE ARG A 24 2.604 8.293 5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.094 7.577 2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.056 9.217 2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.566 10.394 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.441 10.795 2.910 1.00 0.00 H new ATOM 380 N TYR A 25 2.946 3.478 8.125 1.00 0.00 N ATOM 381 CA TYR A 25 2.950 1.987 8.132 1.00 0.00 C ATOM 382 C TYR A 25 1.985 1.442 7.075 1.00 0.00 C ATOM 383 O TYR A 25 1.007 2.073 6.716 1.00 0.00 O ATOM 384 CB TYR A 25 2.526 1.476 9.512 1.00 0.00 C ATOM 385 CG TYR A 25 3.537 1.915 10.549 1.00 0.00 C ATOM 386 CD1 TYR A 25 4.854 1.436 10.490 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.161 2.797 11.569 1.00 0.00 C ATOM 388 CE1 TYR A 25 5.791 1.842 11.449 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.098 3.204 12.527 1.00 0.00 C ATOM 390 CZ TYR A 25 5.413 2.726 12.467 1.00 0.00 C ATOM 391 OH TYR A 25 6.336 3.124 13.411 1.00 0.00 O ATOM 0 H TYR A 25 2.344 3.915 8.823 1.00 0.00 H new ATOM 0 HA TYR A 25 3.959 1.643 7.903 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.539 1.862 9.766 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.450 0.389 9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.146 0.754 9.705 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.147 3.164 11.617 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.805 1.473 11.403 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.807 3.886 13.312 1.00 0.00 H new ATOM 0 HH TYR A 25 5.903 3.713 14.064 1.00 0.00 H new ATOM 401 N LEU A 26 2.259 0.254 6.595 1.00 0.00 N ATOM 402 CA LEU A 26 1.385 -0.394 5.572 1.00 0.00 C ATOM 403 C LEU A 26 1.295 -1.884 5.906 1.00 0.00 C ATOM 404 O LEU A 26 2.278 -2.597 5.858 1.00 0.00 O ATOM 405 CB LEU A 26 2.002 -0.213 4.170 1.00 0.00 C ATOM 406 CG LEU A 26 1.331 -1.160 3.155 1.00 0.00 C ATOM 407 CD1 LEU A 26 -0.192 -1.006 3.227 1.00 0.00 C ATOM 408 CD2 LEU A 26 1.811 -0.823 1.735 1.00 0.00 C ATOM 0 H LEU A 26 3.066 -0.303 6.875 1.00 0.00 H new ATOM 0 HA LEU A 26 0.393 0.059 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.883 0.821 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.073 -0.413 4.209 1.00 0.00 H new ATOM 0 HG LEU A 26 1.602 -2.188 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.660 -1.678 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.536 -1.254 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.465 0.023 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.334 -1.495 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.547 0.207 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.893 -0.942 1.679 1.00 0.00 H new ATOM 420 N TYR A 27 0.125 -2.356 6.243 1.00 0.00 N ATOM 421 CA TYR A 27 -0.045 -3.800 6.582 1.00 0.00 C ATOM 422 C TYR A 27 -0.715 -4.508 5.406 1.00 0.00 C ATOM 423 O TYR A 27 -1.914 -4.414 5.203 1.00 0.00 O ATOM 424 CB TYR A 27 -0.916 -3.910 7.835 1.00 0.00 C ATOM 425 CG TYR A 27 -1.332 -5.346 8.084 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.362 -6.334 8.288 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.693 -5.685 8.134 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.750 -7.656 8.539 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.078 -7.007 8.384 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.107 -7.992 8.588 1.00 0.00 C ATOM 431 OH TYR A 27 -2.487 -9.295 8.837 1.00 0.00 O ATOM 0 H TYR A 27 -0.728 -1.799 6.299 1.00 0.00 H new ATOM 0 HA TYR A 27 0.921 -4.267 6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.367 -3.532 8.698 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.802 -3.285 7.722 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.686 -6.077 8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.444 -4.925 7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.000 -8.417 8.695 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.126 -7.266 8.419 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.465 -9.356 8.838 1.00 0.00 H new ATOM 441 N LYS A 28 0.065 -5.211 4.626 1.00 0.00 N ATOM 442 CA LYS A 28 -0.482 -5.952 3.452 1.00 0.00 C ATOM 443 C LYS A 28 -0.743 -7.397 3.884 1.00 0.00 C ATOM 444 O LYS A 28 0.092 -8.021 4.507 1.00 0.00 O ATOM 445 CB LYS A 28 0.551 -5.922 2.311 1.00 0.00 C ATOM 446 CG LYS A 28 -0.145 -6.047 0.945 1.00 0.00 C ATOM 447 CD LYS A 28 0.885 -6.446 -0.128 1.00 0.00 C ATOM 448 CE LYS A 28 0.376 -6.062 -1.523 1.00 0.00 C ATOM 449 NZ LYS A 28 1.143 -6.818 -2.555 1.00 0.00 N ATOM 0 H LYS A 28 1.072 -5.304 4.756 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.408 -5.495 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.119 -4.992 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.264 -6.737 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.938 -6.793 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.615 -5.101 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.836 -5.951 0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.070 -7.519 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.688 -6.285 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.491 -4.990 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.799 -6.559 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.153 -6.584 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.012 -7.839 -2.406 1.00 0.00 H new ATOM 463 N TYR A 29 -1.881 -7.940 3.563 1.00 0.00 N ATOM 464 CA TYR A 29 -2.161 -9.350 3.966 1.00 0.00 C ATOM 465 C TYR A 29 -3.197 -9.966 3.025 1.00 0.00 C ATOM 466 O TYR A 29 -4.174 -9.342 2.658 1.00 0.00 O ATOM 467 CB TYR A 29 -2.659 -9.385 5.421 1.00 0.00 C ATOM 468 CG TYR A 29 -4.108 -8.959 5.508 1.00 0.00 C ATOM 469 CD1 TYR A 29 -5.125 -9.915 5.397 1.00 0.00 C ATOM 470 CD2 TYR A 29 -4.433 -7.613 5.712 1.00 0.00 C ATOM 471 CE1 TYR A 29 -6.466 -9.525 5.489 1.00 0.00 C ATOM 472 CE2 TYR A 29 -5.774 -7.222 5.803 1.00 0.00 C ATOM 473 CZ TYR A 29 -6.792 -8.179 5.691 1.00 0.00 C ATOM 474 OH TYR A 29 -8.114 -7.794 5.778 1.00 0.00 O ATOM 0 H TYR A 29 -2.626 -7.476 3.043 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.244 -9.935 3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.547 -10.392 5.823 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.045 -8.726 6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.875 -10.954 5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.649 -6.876 5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.250 -10.263 5.404 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.024 -6.183 5.959 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.603 -8.126 4.996 1.00 0.00 H new ATOM 484 N ILE A 30 -2.983 -11.189 2.631 1.00 0.00 N ATOM 485 CA ILE A 30 -3.938 -11.863 1.709 1.00 0.00 C ATOM 486 C ILE A 30 -5.143 -12.356 2.515 1.00 0.00 C ATOM 487 O ILE A 30 -5.007 -13.129 3.441 1.00 0.00 O ATOM 488 CB ILE A 30 -3.244 -13.059 1.031 1.00 0.00 C ATOM 489 CG1 ILE A 30 -1.827 -12.670 0.540 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.081 -13.547 -0.155 1.00 0.00 C ATOM 491 CD1 ILE A 30 -1.888 -11.831 -0.745 1.00 0.00 C ATOM 0 H ILE A 30 -2.182 -11.755 2.910 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.269 -11.162 0.943 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.151 -13.859 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.312 -12.108 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.243 -13.572 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.583 -14.393 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.065 -13.856 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.192 -12.740 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.877 -11.576 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.380 -12.404 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.451 -10.917 -0.556 1.00 0.00 H new ATOM 503 N ASP A 31 -6.323 -11.906 2.176 1.00 0.00 N ATOM 504 CA ASP A 31 -7.531 -12.341 2.935 1.00 0.00 C ATOM 505 C ASP A 31 -7.965 -13.734 2.468 1.00 0.00 C ATOM 506 O ASP A 31 -7.358 -14.327 1.597 1.00 0.00 O ATOM 507 CB ASP A 31 -8.672 -11.350 2.690 1.00 0.00 C ATOM 508 CG ASP A 31 -8.186 -9.926 2.964 1.00 0.00 C ATOM 509 OD1 ASP A 31 -6.985 -9.714 2.934 1.00 0.00 O ATOM 510 OD2 ASP A 31 -9.022 -9.070 3.198 1.00 0.00 O ATOM 0 H ASP A 31 -6.501 -11.258 1.409 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.292 -12.373 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.024 -11.433 1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.517 -11.587 3.336 1.00 0.00 H new ATOM 515 N SER A 32 -9.008 -14.261 3.050 1.00 0.00 N ATOM 516 CA SER A 32 -9.485 -15.617 2.656 1.00 0.00 C ATOM 517 C SER A 32 -10.058 -15.576 1.239 1.00 0.00 C ATOM 518 O SER A 32 -10.637 -16.533 0.767 1.00 0.00 O ATOM 519 CB SER A 32 -10.572 -16.076 3.628 1.00 0.00 C ATOM 520 OG SER A 32 -9.994 -16.300 4.908 1.00 0.00 O ATOM 0 H SER A 32 -9.552 -13.808 3.784 1.00 0.00 H new ATOM 0 HA SER A 32 -8.647 -16.313 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.356 -15.322 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.040 -16.990 3.263 1.00 0.00 H new ATOM 0 HG SER A 32 -10.689 -16.593 5.534 1.00 0.00 H new ATOM 526 N PHE A 33 -9.892 -14.475 0.552 1.00 0.00 N ATOM 527 CA PHE A 33 -10.417 -14.364 -0.841 1.00 0.00 C ATOM 528 C PHE A 33 -9.260 -14.599 -1.813 1.00 0.00 C ATOM 529 O PHE A 33 -9.448 -15.046 -2.927 1.00 0.00 O ATOM 530 CB PHE A 33 -10.991 -12.951 -1.047 1.00 0.00 C ATOM 531 CG PHE A 33 -12.439 -12.910 -0.613 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.445 -13.329 -1.491 1.00 0.00 C ATOM 533 CD2 PHE A 33 -12.773 -12.451 0.667 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.785 -13.290 -1.089 1.00 0.00 C ATOM 535 CE2 PHE A 33 -14.114 -12.412 1.069 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.119 -12.832 0.191 1.00 0.00 C ATOM 0 H PHE A 33 -9.413 -13.644 0.899 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.202 -15.100 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.411 -12.227 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.909 -12.666 -2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.187 -13.682 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.997 -12.127 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.562 -13.613 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -14.372 -12.058 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.153 -12.803 0.501 1.00 0.00 H new ATOM 546 N GLY A 34 -8.064 -14.290 -1.392 1.00 0.00 N ATOM 547 CA GLY A 34 -6.871 -14.479 -2.271 1.00 0.00 C ATOM 548 C GLY A 34 -6.470 -13.130 -2.862 1.00 0.00 C ATOM 549 O GLY A 34 -5.519 -13.026 -3.611 1.00 0.00 O ATOM 0 H GLY A 34 -7.859 -13.911 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.044 -14.900 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.099 -15.186 -3.068 1.00 0.00 H new ATOM 553 N GLU A 35 -7.196 -12.090 -2.529 1.00 0.00 N ATOM 554 CA GLU A 35 -6.874 -10.730 -3.067 1.00 0.00 C ATOM 555 C GLU A 35 -6.196 -9.891 -1.966 1.00 0.00 C ATOM 556 O GLU A 35 -6.808 -9.602 -0.958 1.00 0.00 O ATOM 557 CB GLU A 35 -8.177 -10.039 -3.482 1.00 0.00 C ATOM 558 CG GLU A 35 -9.034 -11.010 -4.295 1.00 0.00 C ATOM 559 CD GLU A 35 -8.225 -11.544 -5.478 1.00 0.00 C ATOM 560 OE1 GLU A 35 -8.212 -10.887 -6.506 1.00 0.00 O ATOM 561 OE2 GLU A 35 -7.631 -12.600 -5.336 1.00 0.00 O ATOM 0 H GLU A 35 -8.002 -12.125 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.206 -10.823 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.723 -9.708 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.957 -9.150 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.363 -11.836 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.931 -10.506 -4.654 1.00 0.00 H new ATOM 568 N PRO A 36 -4.950 -9.492 -2.135 1.00 0.00 N ATOM 569 CA PRO A 36 -4.241 -8.674 -1.108 1.00 0.00 C ATOM 570 C PRO A 36 -5.125 -7.561 -0.535 1.00 0.00 C ATOM 571 O PRO A 36 -6.090 -7.146 -1.144 1.00 0.00 O ATOM 572 CB PRO A 36 -3.052 -8.092 -1.873 1.00 0.00 C ATOM 573 CG PRO A 36 -2.739 -9.112 -2.922 1.00 0.00 C ATOM 574 CD PRO A 36 -4.078 -9.763 -3.298 1.00 0.00 C ATOM 0 HA PRO A 36 -3.949 -9.268 -0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.301 -7.129 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.200 -7.927 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.274 -8.647 -3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.037 -9.855 -2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.488 -9.333 -4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.966 -10.833 -3.472 1.00 0.00 H new ATOM 582 N GLN A 37 -4.798 -7.081 0.638 1.00 0.00 N ATOM 583 CA GLN A 37 -5.607 -5.997 1.277 1.00 0.00 C ATOM 584 C GLN A 37 -4.658 -4.939 1.853 1.00 0.00 C ATOM 585 O GLN A 37 -3.644 -5.261 2.439 1.00 0.00 O ATOM 586 CB GLN A 37 -6.456 -6.607 2.394 1.00 0.00 C ATOM 587 CG GLN A 37 -7.570 -5.633 2.784 1.00 0.00 C ATOM 588 CD GLN A 37 -8.652 -5.633 1.702 1.00 0.00 C ATOM 589 OE1 GLN A 37 -8.546 -4.817 0.689 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 -9.605 -6.383 1.779 1.00 0.00 N flip ATOM 0 H GLN A 37 -3.998 -7.396 1.186 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.262 -5.528 0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.886 -7.552 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.832 -6.827 3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.000 -5.922 3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.163 -4.629 2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.689 -7.021 2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.321 -6.374 1.052 1.00 0.00 H new ATOM 599 N PHE A 38 -4.967 -3.678 1.665 1.00 0.00 N ATOM 600 CA PHE A 38 -4.074 -2.583 2.170 1.00 0.00 C ATOM 601 C PHE A 38 -4.693 -1.876 3.387 1.00 0.00 C ATOM 602 O PHE A 38 -5.842 -1.480 3.374 1.00 0.00 O ATOM 603 CB PHE A 38 -3.899 -1.536 1.050 1.00 0.00 C ATOM 604 CG PHE A 38 -2.727 -1.888 0.157 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.725 -3.091 -0.554 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.653 -0.995 0.020 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.663 -3.401 -1.394 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.583 -1.310 -0.822 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.587 -2.513 -1.531 1.00 0.00 C ATOM 0 H PHE A 38 -5.805 -3.357 1.180 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.121 -3.023 2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.810 -1.479 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.743 -0.551 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.550 -3.780 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.653 -0.063 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.666 -4.330 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.245 -0.624 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.237 -2.759 -2.184 1.00 0.00 H new ATOM 619 N VAL A 39 -3.906 -1.662 4.413 1.00 0.00 N ATOM 620 CA VAL A 39 -4.395 -0.917 5.617 1.00 0.00 C ATOM 621 C VAL A 39 -3.293 0.073 6.015 1.00 0.00 C ATOM 622 O VAL A 39 -2.169 -0.312 6.270 1.00 0.00 O ATOM 623 CB VAL A 39 -4.680 -1.886 6.766 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.291 -1.118 7.942 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.663 -2.959 6.296 1.00 0.00 C ATOM 0 H VAL A 39 -2.937 -1.974 4.469 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.324 -0.392 5.393 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.749 -2.357 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.494 -1.808 8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.593 -0.352 8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.222 -0.647 7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.866 -3.650 7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.593 -2.487 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.231 -3.506 5.458 1.00 0.00 H new ATOM 635 N TYR A 40 -3.593 1.350 6.030 1.00 0.00 N ATOM 636 CA TYR A 40 -2.546 2.374 6.365 1.00 0.00 C ATOM 637 C TYR A 40 -2.691 2.848 7.813 1.00 0.00 C ATOM 638 O TYR A 40 -3.713 2.668 8.446 1.00 0.00 O ATOM 639 CB TYR A 40 -2.718 3.589 5.443 1.00 0.00 C ATOM 640 CG TYR A 40 -2.217 3.274 4.051 1.00 0.00 C ATOM 641 CD1 TYR A 40 -3.014 2.537 3.167 1.00 0.00 C ATOM 642 CD2 TYR A 40 -0.963 3.740 3.641 1.00 0.00 C ATOM 643 CE1 TYR A 40 -2.556 2.268 1.870 1.00 0.00 C ATOM 644 CE2 TYR A 40 -0.502 3.467 2.347 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.299 2.732 1.460 1.00 0.00 C ATOM 646 OH TYR A 40 -0.848 2.468 0.182 1.00 0.00 O ATOM 0 H TYR A 40 -4.517 1.730 5.825 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.565 1.918 6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.769 3.875 5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.172 4.441 5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.981 2.176 3.484 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.350 4.311 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.172 1.703 1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.468 3.823 2.033 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.612 2.402 -0.428 1.00 0.00 H new ATOM 656 N SER A 41 -1.663 3.473 8.330 1.00 0.00 N ATOM 657 CA SER A 41 -1.715 3.987 9.731 1.00 0.00 C ATOM 658 C SER A 41 -0.380 4.668 10.065 1.00 0.00 C ATOM 659 O SER A 41 0.678 4.176 9.725 1.00 0.00 O ATOM 660 CB SER A 41 -1.974 2.816 10.696 1.00 0.00 C ATOM 661 OG SER A 41 -1.030 2.849 11.761 1.00 0.00 O ATOM 0 H SER A 41 -0.787 3.650 7.839 1.00 0.00 H new ATOM 0 HA SER A 41 -2.522 4.712 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.987 2.878 11.094 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.899 1.869 10.161 1.00 0.00 H new ATOM 0 HG SER A 41 -1.451 3.231 12.559 1.00 0.00 H new ATOM 667 N TRP A 42 -0.417 5.793 10.736 1.00 0.00 N ATOM 668 CA TRP A 42 0.851 6.493 11.097 1.00 0.00 C ATOM 669 C TRP A 42 1.338 5.946 12.437 1.00 0.00 C ATOM 670 O TRP A 42 2.522 5.811 12.682 1.00 0.00 O ATOM 671 CB TRP A 42 0.588 8.000 11.248 1.00 0.00 C ATOM 672 CG TRP A 42 0.532 8.659 9.909 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.588 9.156 9.334 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.622 8.920 8.979 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.253 9.702 8.108 1.00 0.00 N ATOM 676 CE2 TRP A 42 1.097 9.580 7.844 1.00 0.00 C ATOM 677 CE3 TRP A 42 3.002 8.649 9.010 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.912 9.957 6.778 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.826 9.029 7.939 1.00 0.00 C ATOM 680 CH2 TRP A 42 3.281 9.682 6.824 1.00 0.00 C ATOM 0 H TRP A 42 -1.271 6.255 11.048 1.00 0.00 H new ATOM 0 HA TRP A 42 1.596 6.330 10.318 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.351 8.160 11.778 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.375 8.454 11.850 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.579 9.130 9.762 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.922 10.141 7.476 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.430 8.145 9.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.488 10.459 5.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.885 8.818 7.974 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.919 9.972 6.002 1.00 0.00 H new ATOM 691 N LYS A 43 0.420 5.653 13.313 1.00 0.00 N ATOM 692 CA LYS A 43 0.785 5.137 14.662 1.00 0.00 C ATOM 693 C LYS A 43 0.792 3.605 14.645 1.00 0.00 C ATOM 694 O LYS A 43 -0.105 2.978 14.118 1.00 0.00 O ATOM 695 CB LYS A 43 -0.255 5.632 15.675 1.00 0.00 C ATOM 696 CG LYS A 43 -0.454 7.148 15.536 1.00 0.00 C ATOM 697 CD LYS A 43 -1.706 7.579 16.314 1.00 0.00 C ATOM 698 CE LYS A 43 -1.663 7.019 17.739 1.00 0.00 C ATOM 699 NZ LYS A 43 -2.589 7.802 18.605 1.00 0.00 N ATOM 0 H LYS A 43 -0.582 5.750 13.150 1.00 0.00 H new ATOM 0 HA LYS A 43 1.777 5.494 14.939 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.203 5.118 15.515 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.070 5.392 16.687 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.421 7.676 15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.557 7.416 14.485 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.767 8.667 16.345 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.601 7.224 15.803 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.950 5.968 17.737 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.648 7.072 18.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.562 7.424 19.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.295 8.800 18.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.557 7.730 18.232 1.00 0.00 H new ATOM 713 N LEU A 44 1.793 2.994 15.225 1.00 0.00 N ATOM 714 CA LEU A 44 1.847 1.501 15.249 1.00 0.00 C ATOM 715 C LEU A 44 1.028 1.002 16.442 1.00 0.00 C ATOM 716 O LEU A 44 0.520 -0.101 16.447 1.00 0.00 O ATOM 717 CB LEU A 44 3.305 1.041 15.383 1.00 0.00 C ATOM 718 CG LEU A 44 3.377 -0.487 15.531 1.00 0.00 C ATOM 719 CD1 LEU A 44 2.687 -1.169 14.340 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.849 -0.913 15.579 1.00 0.00 C ATOM 0 H LEU A 44 2.574 3.463 15.683 1.00 0.00 H new ATOM 0 HA LEU A 44 1.435 1.095 14.325 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.873 1.354 14.507 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.765 1.518 16.249 1.00 0.00 H new ATOM 0 HG LEU A 44 2.870 -0.785 16.449 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.745 -2.251 14.457 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.641 -0.864 14.302 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.184 -0.877 13.415 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.911 -1.996 15.684 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.346 -0.609 14.658 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.338 -0.437 16.429 1.00 0.00 H new ATOM 732 N VAL A 45 0.885 1.822 17.448 1.00 0.00 N ATOM 733 CA VAL A 45 0.088 1.428 18.649 1.00 0.00 C ATOM 734 C VAL A 45 -0.681 2.655 19.131 1.00 0.00 C ATOM 735 O VAL A 45 -0.249 3.777 18.957 1.00 0.00 O ATOM 736 CB VAL A 45 1.026 0.903 19.744 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.114 0.043 19.100 1.00 0.00 C ATOM 738 CG2 VAL A 45 1.680 2.073 20.487 1.00 0.00 C ATOM 0 H VAL A 45 1.290 2.757 17.491 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.615 0.632 18.401 1.00 0.00 H new ATOM 0 HB VAL A 45 0.450 0.310 20.454 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.785 -0.334 19.872 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.653 -0.796 18.578 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.681 0.645 18.390 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.343 1.687 21.261 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.255 2.675 19.783 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.907 2.690 20.945 1.00 0.00 H new ATOM 748 N ALA A 46 -1.826 2.458 19.699 1.00 0.00 N ATOM 749 CA ALA A 46 -2.628 3.618 20.149 1.00 0.00 C ATOM 750 C ALA A 46 -1.925 4.349 21.300 1.00 0.00 C ATOM 751 O ALA A 46 -2.441 4.446 22.396 1.00 0.00 O ATOM 752 CB ALA A 46 -4.009 3.123 20.582 1.00 0.00 C ATOM 0 H ALA A 46 -2.244 1.544 19.872 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.737 4.327 19.329 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.610 3.969 20.916 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.502 2.637 19.740 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.900 2.410 21.399 1.00 0.00 H new ATOM 758 N THR A 47 -0.762 4.893 21.042 1.00 0.00 N ATOM 759 CA THR A 47 -0.028 5.654 22.098 1.00 0.00 C ATOM 760 C THR A 47 0.852 6.719 21.421 1.00 0.00 C ATOM 761 O THR A 47 1.092 7.780 21.961 1.00 0.00 O ATOM 762 CB THR A 47 0.815 4.694 22.969 1.00 0.00 C ATOM 763 OG1 THR A 47 0.917 5.232 24.280 1.00 0.00 O ATOM 764 CG2 THR A 47 2.231 4.501 22.399 1.00 0.00 C ATOM 0 H THR A 47 -0.287 4.842 20.141 1.00 0.00 H new ATOM 0 HA THR A 47 -0.738 6.151 22.760 1.00 0.00 H new ATOM 0 HB THR A 47 0.319 3.724 22.981 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.449 4.629 24.841 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.791 3.820 23.040 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.165 4.083 21.395 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.741 5.463 22.359 1.00 0.00 H new ATOM 772 N ASP A 48 1.329 6.431 20.237 1.00 0.00 N ATOM 773 CA ASP A 48 2.189 7.401 19.504 1.00 0.00 C ATOM 774 C ASP A 48 1.352 8.611 19.070 1.00 0.00 C ATOM 775 O ASP A 48 0.278 8.850 19.585 1.00 0.00 O ATOM 776 CB ASP A 48 2.776 6.699 18.273 1.00 0.00 C ATOM 777 CG ASP A 48 3.948 5.809 18.696 1.00 0.00 C ATOM 778 OD1 ASP A 48 4.849 6.317 19.344 1.00 0.00 O ATOM 779 OD2 ASP A 48 3.924 4.635 18.366 1.00 0.00 O ATOM 0 H ASP A 48 1.156 5.555 19.744 1.00 0.00 H new ATOM 0 HA ASP A 48 2.995 7.750 20.150 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.009 6.098 17.785 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.112 7.439 17.546 1.00 0.00 H new ATOM 784 N ARG A 49 1.842 9.381 18.129 1.00 0.00 N ATOM 785 CA ARG A 49 1.090 10.586 17.655 1.00 0.00 C ATOM 786 C ARG A 49 1.208 10.687 16.126 1.00 0.00 C ATOM 787 O ARG A 49 1.518 9.722 15.457 1.00 0.00 O ATOM 788 CB ARG A 49 1.701 11.834 18.313 1.00 0.00 C ATOM 789 CG ARG A 49 1.207 11.961 19.767 1.00 0.00 C ATOM 790 CD ARG A 49 -0.131 12.712 19.809 1.00 0.00 C ATOM 791 NE ARG A 49 0.131 14.179 19.844 1.00 0.00 N ATOM 792 CZ ARG A 49 -0.833 15.020 19.588 1.00 0.00 C ATOM 793 NH1 ARG A 49 -2.025 14.580 19.294 1.00 0.00 N ATOM 794 NH2 ARG A 49 -0.602 16.305 19.626 1.00 0.00 N ATOM 0 H ARG A 49 2.737 9.225 17.665 1.00 0.00 H new ATOM 0 HA ARG A 49 0.037 10.508 17.925 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.789 11.769 18.295 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.426 12.724 17.748 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.090 10.971 20.207 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.948 12.490 20.366 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.731 12.459 18.935 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.703 12.412 20.687 1.00 0.00 H new ATOM 0 HE ARG A 49 1.064 14.525 20.068 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.205 13.576 19.264 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.777 15.239 19.094 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.330 16.649 19.855 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.354 16.964 19.426 1.00 0.00 H new ATOM 808 N VAL A 50 0.972 11.849 15.571 1.00 0.00 N ATOM 809 CA VAL A 50 1.074 12.023 14.090 1.00 0.00 C ATOM 810 C VAL A 50 1.395 13.501 13.802 1.00 0.00 C ATOM 811 O VAL A 50 0.749 14.379 14.337 1.00 0.00 O ATOM 812 CB VAL A 50 -0.269 11.675 13.430 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.615 10.210 13.698 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.372 12.572 14.006 1.00 0.00 C ATOM 0 H VAL A 50 0.711 12.691 16.084 1.00 0.00 H new ATOM 0 HA VAL A 50 1.851 11.370 13.694 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.191 11.836 12.355 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.568 9.969 13.228 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.165 9.570 13.285 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.689 10.044 14.773 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.324 12.324 13.537 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.445 12.413 15.082 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.131 13.617 13.809 1.00 0.00 H new ATOM 824 N PRO A 51 2.380 13.795 12.976 1.00 0.00 N ATOM 825 CA PRO A 51 2.746 15.203 12.657 1.00 0.00 C ATOM 826 C PRO A 51 1.520 16.107 12.535 1.00 0.00 C ATOM 827 O PRO A 51 0.556 15.787 11.867 1.00 0.00 O ATOM 828 CB PRO A 51 3.476 15.077 11.321 1.00 0.00 C ATOM 829 CG PRO A 51 4.147 13.740 11.382 1.00 0.00 C ATOM 830 CD PRO A 51 3.252 12.843 12.256 1.00 0.00 C ATOM 0 HA PRO A 51 3.349 15.664 13.439 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.781 15.134 10.483 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.202 15.879 11.189 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.263 13.318 10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.146 13.826 11.810 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.670 12.149 11.650 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.843 12.243 12.948 1.00 0.00 H new ATOM 838 N ALA A 52 1.555 17.232 13.186 1.00 0.00 N ATOM 839 CA ALA A 52 0.404 18.170 13.129 1.00 0.00 C ATOM 840 C ALA A 52 -0.011 18.392 11.673 1.00 0.00 C ATOM 841 O ALA A 52 0.810 18.404 10.777 1.00 0.00 O ATOM 842 CB ALA A 52 0.826 19.498 13.757 1.00 0.00 C ATOM 0 H ALA A 52 2.338 17.545 13.760 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.443 17.754 13.675 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.009 20.198 13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.119 19.333 14.794 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.669 19.911 13.203 1.00 0.00 H new ATOM 848 N GLY A 53 -1.284 18.570 11.431 1.00 0.00 N ATOM 849 CA GLY A 53 -1.764 18.794 10.034 1.00 0.00 C ATOM 850 C GLY A 53 -2.228 17.467 9.430 1.00 0.00 C ATOM 851 O GLY A 53 -3.021 17.437 8.510 1.00 0.00 O ATOM 0 H GLY A 53 -2.014 18.570 12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.584 19.512 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.964 19.221 9.428 1.00 0.00 H new ATOM 855 N LYS A 54 -1.739 16.365 9.935 1.00 0.00 N ATOM 856 CA LYS A 54 -2.150 15.042 9.386 1.00 0.00 C ATOM 857 C LYS A 54 -3.417 14.565 10.098 1.00 0.00 C ATOM 858 O LYS A 54 -3.720 14.984 11.198 1.00 0.00 O ATOM 859 CB LYS A 54 -1.013 14.037 9.606 1.00 0.00 C ATOM 860 CG LYS A 54 0.188 14.426 8.729 1.00 0.00 C ATOM 861 CD LYS A 54 1.115 13.222 8.548 1.00 0.00 C ATOM 862 CE LYS A 54 2.367 13.648 7.771 1.00 0.00 C ATOM 863 NZ LYS A 54 2.016 14.721 6.797 1.00 0.00 N ATOM 0 H LYS A 54 -1.072 16.325 10.705 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.356 15.129 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.722 14.025 10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.349 13.031 9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.159 14.777 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.734 15.250 9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.398 12.819 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.595 12.427 8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.130 14.007 8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.789 12.791 7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.820 14.888 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.188 14.427 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.794 15.598 7.311 1.00 0.00 H new ATOM 877 N ARG A 55 -4.165 13.698 9.472 1.00 0.00 N ATOM 878 CA ARG A 55 -5.418 13.200 10.101 1.00 0.00 C ATOM 879 C ARG A 55 -5.083 12.143 11.151 1.00 0.00 C ATOM 880 O ARG A 55 -4.248 11.285 10.940 1.00 0.00 O ATOM 881 CB ARG A 55 -6.309 12.572 9.026 1.00 0.00 C ATOM 882 CG ARG A 55 -6.486 13.554 7.841 1.00 0.00 C ATOM 883 CD ARG A 55 -7.921 13.484 7.316 1.00 0.00 C ATOM 884 NE ARG A 55 -8.236 12.086 6.906 1.00 0.00 N ATOM 885 CZ ARG A 55 -9.477 11.724 6.723 1.00 0.00 C ATOM 886 NH1 ARG A 55 -10.442 12.585 6.903 1.00 0.00 N ATOM 887 NH2 ARG A 55 -9.753 10.501 6.361 1.00 0.00 N ATOM 0 H ARG A 55 -3.961 13.313 8.550 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.938 14.032 10.575 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.866 11.641 8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.282 12.322 9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.256 14.570 8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.785 13.305 7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.617 13.813 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.042 14.158 6.468 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.482 11.412 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.226 13.541 7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.411 12.302 6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.999 9.828 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.722 10.218 6.218 1.00 0.00 H new ATOM 901 N ASP A 56 -5.729 12.194 12.282 1.00 0.00 N ATOM 902 CA ASP A 56 -5.448 11.188 13.343 1.00 0.00 C ATOM 903 C ASP A 56 -6.097 9.859 12.957 1.00 0.00 C ATOM 904 O ASP A 56 -6.986 9.808 12.130 1.00 0.00 O ATOM 905 CB ASP A 56 -6.022 11.674 14.675 1.00 0.00 C ATOM 906 CG ASP A 56 -7.436 12.215 14.457 1.00 0.00 C ATOM 907 OD1 ASP A 56 -7.556 13.281 13.876 1.00 0.00 O ATOM 908 OD2 ASP A 56 -8.373 11.556 14.876 1.00 0.00 O ATOM 0 H ASP A 56 -6.439 12.888 12.517 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.371 11.053 13.446 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.042 10.855 15.394 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.385 12.452 15.095 1.00 0.00 H new ATOM 913 N ALA A 57 -5.658 8.782 13.544 1.00 0.00 N ATOM 914 CA ALA A 57 -6.247 7.457 13.206 1.00 0.00 C ATOM 915 C ALA A 57 -5.861 6.452 14.287 1.00 0.00 C ATOM 916 O ALA A 57 -4.860 6.607 14.958 1.00 0.00 O ATOM 917 CB ALA A 57 -5.694 6.989 11.851 1.00 0.00 C ATOM 0 H ALA A 57 -4.916 8.762 14.244 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.333 7.536 13.148 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.122 6.019 11.599 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.958 7.714 11.081 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.609 6.902 11.911 1.00 0.00 H new ATOM 923 N ILE A 58 -6.627 5.412 14.456 1.00 0.00 N ATOM 924 CA ILE A 58 -6.264 4.409 15.480 1.00 0.00 C ATOM 925 C ILE A 58 -5.039 3.666 14.973 1.00 0.00 C ATOM 926 O ILE A 58 -4.914 3.399 13.795 1.00 0.00 O ATOM 927 CB ILE A 58 -7.419 3.426 15.685 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.649 2.604 14.399 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.687 4.199 16.022 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.916 1.727 14.516 1.00 0.00 C ATOM 0 H ILE A 58 -7.480 5.218 13.932 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.056 4.893 16.434 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.170 2.749 16.502 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.746 3.277 13.547 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.782 1.972 14.208 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.511 3.500 16.168 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.531 4.773 16.935 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.928 4.878 15.204 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.052 1.160 13.595 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.806 1.038 15.354 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.785 2.364 14.682 1.00 0.00 H new ATOM 942 N SER A 59 -4.127 3.338 15.831 1.00 0.00 N ATOM 943 CA SER A 59 -2.918 2.630 15.352 1.00 0.00 C ATOM 944 C SER A 59 -3.332 1.419 14.519 1.00 0.00 C ATOM 945 O SER A 59 -4.399 0.862 14.682 1.00 0.00 O ATOM 946 CB SER A 59 -2.052 2.211 16.539 1.00 0.00 C ATOM 947 OG SER A 59 -0.957 3.110 16.629 1.00 0.00 O ATOM 0 H SER A 59 -4.163 3.526 16.833 1.00 0.00 H new ATOM 0 HA SER A 59 -2.328 3.297 14.724 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.635 2.229 17.460 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.695 1.189 16.407 1.00 0.00 H new ATOM 0 HG SER A 59 -1.200 3.866 17.204 1.00 0.00 H new ATOM 953 N LEU A 60 -2.488 1.031 13.618 1.00 0.00 N ATOM 954 CA LEU A 60 -2.796 -0.122 12.742 1.00 0.00 C ATOM 955 C LEU A 60 -3.270 -1.315 13.589 1.00 0.00 C ATOM 956 O LEU A 60 -4.203 -2.004 13.228 1.00 0.00 O ATOM 957 CB LEU A 60 -1.512 -0.479 11.969 1.00 0.00 C ATOM 958 CG LEU A 60 -1.834 -1.189 10.630 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.704 -0.945 9.619 1.00 0.00 C ATOM 960 CD2 LEU A 60 -1.966 -2.692 10.866 1.00 0.00 C ATOM 0 H LEU A 60 -1.583 1.470 13.448 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.595 0.127 12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.940 0.428 11.773 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.884 -1.125 12.583 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.769 -0.789 10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.940 -1.448 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.600 0.125 9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.231 -1.339 10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.193 -3.190 9.923 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.030 -3.081 11.266 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.770 -2.879 11.578 1.00 0.00 H new ATOM 972 N ARG A 61 -2.631 -1.576 14.700 1.00 0.00 N ATOM 973 CA ARG A 61 -3.043 -2.736 15.546 1.00 0.00 C ATOM 974 C ARG A 61 -4.550 -2.678 15.841 1.00 0.00 C ATOM 975 O ARG A 61 -5.187 -3.698 16.006 1.00 0.00 O ATOM 976 CB ARG A 61 -2.237 -2.717 16.868 1.00 0.00 C ATOM 977 CG ARG A 61 -1.113 -3.766 16.831 1.00 0.00 C ATOM 978 CD ARG A 61 -0.099 -3.394 15.752 1.00 0.00 C ATOM 979 NE ARG A 61 1.124 -4.260 15.874 1.00 0.00 N ATOM 980 CZ ARG A 61 1.849 -4.282 16.961 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.632 -3.425 17.922 1.00 0.00 N ATOM 982 NH2 ARG A 61 2.832 -5.135 17.067 1.00 0.00 N ATOM 0 H ARG A 61 -1.843 -1.037 15.058 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.837 -3.662 15.009 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.812 -1.726 17.027 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.902 -2.917 17.708 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.621 -3.821 17.802 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.529 -4.753 16.628 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.545 -3.517 14.765 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.178 -2.344 15.848 1.00 0.00 H new ATOM 0 HE ARG A 61 1.396 -4.847 15.086 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.891 -2.730 17.828 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.203 -3.450 18.767 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.031 -5.781 16.303 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.400 -5.155 17.914 1.00 0.00 H new ATOM 996 N GLU A 62 -5.134 -1.513 15.909 1.00 0.00 N ATOM 997 CA GLU A 62 -6.591 -1.451 16.194 1.00 0.00 C ATOM 998 C GLU A 62 -7.352 -1.854 14.930 1.00 0.00 C ATOM 999 O GLU A 62 -8.348 -2.547 14.989 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.958 -0.031 16.619 1.00 0.00 C ATOM 1001 CG GLU A 62 -6.606 0.176 18.096 1.00 0.00 C ATOM 1002 CD GLU A 62 -7.613 -0.575 18.970 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -8.644 -0.001 19.278 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -7.335 -1.711 19.315 1.00 0.00 O ATOM 0 H GLU A 62 -4.671 -0.613 15.781 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.856 -2.133 17.002 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.423 0.692 16.003 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.023 0.142 16.462 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.596 -0.184 18.294 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.619 1.239 18.339 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.876 -1.452 13.782 1.00 0.00 N ATOM 1012 CA LYS A 63 -7.563 -1.848 12.523 1.00 0.00 C ATOM 1013 C LYS A 63 -7.347 -3.344 12.313 1.00 0.00 C ATOM 1014 O LYS A 63 -8.248 -4.067 11.949 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.979 -1.068 11.341 1.00 0.00 C ATOM 1016 CG LYS A 63 -7.106 0.434 11.612 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.950 1.217 10.309 1.00 0.00 C ATOM 1018 CE LYS A 63 -7.115 2.711 10.596 1.00 0.00 C ATOM 1019 NZ LYS A 63 -7.281 3.449 9.312 1.00 0.00 N ATOM 0 H LYS A 63 -6.047 -0.870 13.664 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.628 -1.626 12.591 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.932 -1.336 11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.505 -1.329 10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.075 0.650 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.346 0.748 12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.971 1.025 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.694 0.890 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.981 2.875 11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.245 3.087 11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.393 4.464 9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.442 3.302 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.124 3.097 8.816 1.00 0.00 H new ATOM 1033 N ILE A 64 -6.156 -3.812 12.563 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.875 -5.264 12.401 1.00 0.00 C ATOM 1035 C ILE A 64 -6.747 -6.034 13.399 1.00 0.00 C ATOM 1036 O ILE A 64 -7.353 -7.035 13.070 1.00 0.00 O ATOM 1037 CB ILE A 64 -4.363 -5.518 12.664 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.608 -5.550 11.327 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -4.125 -6.856 13.391 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -2.096 -5.570 11.573 1.00 0.00 C ATOM 0 H ILE A 64 -5.364 -3.249 12.873 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.108 -5.601 11.391 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.000 -4.709 13.297 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.902 -6.430 10.756 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.875 -4.678 10.729 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.057 -6.996 13.556 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.642 -6.846 14.351 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.508 -7.674 12.781 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.572 -5.593 10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.805 -4.676 12.125 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.833 -6.455 12.152 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.799 -5.577 14.618 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.611 -6.284 15.645 1.00 0.00 C ATOM 1054 C ALA A 65 -9.054 -6.440 15.159 1.00 0.00 C ATOM 1055 O ALA A 65 -9.751 -7.356 15.545 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.601 -5.489 16.950 1.00 0.00 C ATOM 0 H ALA A 65 -6.313 -4.743 14.948 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.180 -7.271 15.815 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.197 -6.011 17.699 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.576 -5.389 17.307 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.023 -4.499 16.776 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.513 -5.558 14.317 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.910 -5.681 13.819 1.00 0.00 C ATOM 1064 C GLU A 66 -10.972 -6.846 12.832 1.00 0.00 C ATOM 1065 O GLU A 66 -11.948 -7.565 12.758 1.00 0.00 O ATOM 1066 CB GLU A 66 -11.319 -4.380 13.118 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.602 -3.299 14.164 1.00 0.00 C ATOM 1068 CD GLU A 66 -12.179 -2.062 13.474 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.477 -2.153 12.295 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.312 -1.046 14.135 1.00 0.00 O ATOM 0 H GLU A 66 -8.986 -4.763 13.954 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.592 -5.863 14.649 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.525 -4.052 12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.205 -4.548 12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.304 -3.674 14.909 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.684 -3.039 14.692 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.922 -7.045 12.079 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.901 -8.169 11.101 1.00 0.00 C ATOM 1079 C LEU A 67 -9.849 -9.497 11.861 1.00 0.00 C ATOM 1080 O LEU A 67 -10.528 -10.445 11.522 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.667 -8.047 10.200 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.484 -6.587 9.782 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -7.290 -6.475 8.832 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.749 -6.093 9.074 1.00 0.00 C ATOM 0 H LEU A 67 -9.076 -6.475 12.100 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.800 -8.133 10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.781 -8.399 10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.783 -8.677 9.318 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.304 -5.977 10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.159 -5.435 8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.389 -6.824 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.470 -7.086 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.617 -5.053 8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.932 -6.703 8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.599 -6.172 9.751 1.00 0.00 H new ATOM 1096 N GLN A 68 -9.046 -9.569 12.891 1.00 0.00 N ATOM 1097 CA GLN A 68 -8.953 -10.835 13.673 1.00 0.00 C ATOM 1098 C GLN A 68 -10.135 -10.883 14.637 1.00 0.00 C ATOM 1099 O GLN A 68 -10.126 -11.567 15.639 1.00 0.00 O ATOM 1100 CB GLN A 68 -7.621 -10.857 14.441 1.00 0.00 C ATOM 1101 CG GLN A 68 -7.715 -10.064 15.753 1.00 0.00 C ATOM 1102 CD GLN A 68 -6.311 -9.656 16.214 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -5.505 -9.072 15.371 1.00 0.00 O flip ATOM 1104 NE2 GLN A 68 -5.947 -9.871 17.352 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.453 -8.808 13.223 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.985 -11.704 13.016 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.341 -11.888 14.657 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.833 -10.437 13.816 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.333 -9.177 15.609 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.199 -10.669 16.520 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.577 -10.328 18.011 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.011 -9.595 17.649 1.00 0.00 H new