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= -1.32 K(o=-3.5,f=-6.3!) USER MOD Set 1.2: A 19 GLN :FLIP amide:sc= -2.22 F(o=-12!,f=-3.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= -1.54 (180deg=-1.66) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -104:sc= 0.0832 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0913 USER MOD Single : A 32 SER OG : rot -40:sc= 0.233 USER MOD Single : A 37 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.22) USER MOD Single : A 40 TYR OH : rot -70:sc= 0.496 USER MOD Single : A 41 SER OG : rot 114:sc=-6.98e-05 USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0.708 (180deg=0.63) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 54 LYS NZ :NH3+ -109:sc= 0.0273 (180deg=-0.019) USER MOD Single : A 59 SER OG : rot 180:sc= 0.073 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= 1.27 (180deg=0.889) USER MOD Single : A 68 GLN : amide:sc= -0.464 K(o=-0.46,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.864 -3.526 9.655 1.00 0.00 N ATOM 63 CA ARG A 6 12.527 -2.838 10.941 1.00 0.00 C ATOM 64 C ARG A 6 11.631 -1.636 10.637 1.00 0.00 C ATOM 65 O ARG A 6 11.396 -1.303 9.493 1.00 0.00 O ATOM 66 CB ARG A 6 13.814 -2.353 11.616 1.00 0.00 C ATOM 67 CG ARG A 6 14.741 -3.555 11.936 1.00 0.00 C ATOM 68 CD ARG A 6 15.363 -3.388 13.326 1.00 0.00 C ATOM 69 NE ARG A 6 16.540 -4.290 13.459 1.00 0.00 N ATOM 70 CZ ARG A 6 17.398 -4.106 14.426 1.00 0.00 C ATOM 71 NH1 ARG A 6 17.227 -3.128 15.273 1.00 0.00 N ATOM 72 NH2 ARG A 6 18.426 -4.900 14.545 1.00 0.00 N ATOM 0 HA ARG A 6 12.011 -3.530 11.606 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.332 -1.649 10.964 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.572 -1.818 12.534 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.172 -4.484 11.893 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.527 -3.628 11.184 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.667 -2.352 13.477 1.00 0.00 H new ATOM 0 HD3 ARG A 6 14.626 -3.619 14.095 1.00 0.00 H new ATOM 0 HE ARG A 6 16.676 -5.052 12.795 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.423 -2.507 15.180 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.897 -2.984 16.028 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.559 -5.664 13.883 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.096 -4.757 15.300 1.00 0.00 H new ATOM 86 N ASP A 7 11.130 -0.979 11.647 1.00 0.00 N ATOM 87 CA ASP A 7 10.250 0.200 11.404 1.00 0.00 C ATOM 88 C ASP A 7 11.108 1.438 11.151 1.00 0.00 C ATOM 89 O ASP A 7 12.245 1.345 10.732 1.00 0.00 O ATOM 90 CB ASP A 7 9.372 0.445 12.628 1.00 0.00 C ATOM 91 CG ASP A 7 10.255 0.763 13.831 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.375 0.282 13.864 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.797 1.485 14.702 1.00 0.00 O ATOM 0 H ASP A 7 11.291 -1.207 12.628 1.00 0.00 H new ATOM 0 HA ASP A 7 9.623 0.004 10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.687 1.271 12.438 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.762 -0.435 12.833 1.00 0.00 H new ATOM 98 N ASN A 8 10.570 2.599 11.403 1.00 0.00 N ATOM 99 CA ASN A 8 11.356 3.845 11.179 1.00 0.00 C ATOM 100 C ASN A 8 12.344 4.039 12.330 1.00 0.00 C ATOM 101 O ASN A 8 13.170 4.929 12.307 1.00 0.00 O ATOM 102 CB ASN A 8 10.406 5.044 11.111 1.00 0.00 C ATOM 103 CG ASN A 8 9.663 5.032 9.775 1.00 0.00 C ATOM 104 OD1 ASN A 8 8.630 4.404 9.645 1.00 0.00 O ATOM 105 ND2 ASN A 8 10.147 5.705 8.766 1.00 0.00 N ATOM 0 H ASN A 8 9.622 2.739 11.754 1.00 0.00 H new ATOM 0 HA ASN A 8 11.905 3.764 10.241 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.694 5.004 11.935 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.967 5.972 11.219 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.659 5.703 7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.013 6.232 8.873 1.00 0.00 H new ATOM 112 N ARG A 9 12.263 3.208 13.341 1.00 0.00 N ATOM 113 CA ARG A 9 13.191 3.327 14.510 1.00 0.00 C ATOM 114 C ARG A 9 14.207 2.181 14.462 1.00 0.00 C ATOM 115 O ARG A 9 15.061 2.135 13.599 1.00 0.00 O ATOM 116 CB ARG A 9 12.387 3.239 15.817 1.00 0.00 C ATOM 117 CG ARG A 9 11.595 4.544 16.057 1.00 0.00 C ATOM 118 CD ARG A 9 10.258 4.529 15.279 1.00 0.00 C ATOM 119 NE ARG A 9 10.039 5.854 14.610 1.00 0.00 N ATOM 120 CZ ARG A 9 10.205 6.979 15.256 1.00 0.00 C ATOM 121 NH1 ARG A 9 10.466 6.978 16.533 1.00 0.00 N ATOM 122 NH2 ARG A 9 10.077 8.113 14.623 1.00 0.00 N ATOM 0 H ARG A 9 11.588 2.446 13.407 1.00 0.00 H new ATOM 0 HA ARG A 9 13.710 4.284 14.469 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.700 2.394 15.772 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.062 3.057 16.654 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.399 4.665 17.122 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.193 5.400 15.744 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.270 3.734 14.534 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.434 4.315 15.960 1.00 0.00 H new ATOM 0 HE ARG A 9 9.755 5.878 13.631 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.542 6.095 17.037 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.594 7.861 17.028 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.848 8.119 13.629 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.205 8.993 15.122 1.00 0.00 H new ATOM 136 N GLY A 10 14.122 1.251 15.379 1.00 0.00 N ATOM 137 CA GLY A 10 15.085 0.105 15.380 1.00 0.00 C ATOM 138 C GLY A 10 14.368 -1.134 15.903 1.00 0.00 C ATOM 139 O GLY A 10 14.965 -2.167 16.136 1.00 0.00 O ATOM 0 H GLY A 10 13.429 1.234 16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.462 -0.073 14.373 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.947 0.336 16.006 1.00 0.00 H new ATOM 143 N ARG A 11 13.083 -1.029 16.094 1.00 0.00 N ATOM 144 CA ARG A 11 12.292 -2.179 16.605 1.00 0.00 C ATOM 145 C ARG A 11 11.857 -3.064 15.434 1.00 0.00 C ATOM 146 O ARG A 11 11.703 -2.605 14.319 1.00 0.00 O ATOM 147 CB ARG A 11 11.075 -1.646 17.369 1.00 0.00 C ATOM 148 CG ARG A 11 10.324 -0.606 16.527 1.00 0.00 C ATOM 149 CD ARG A 11 9.182 -0.002 17.353 1.00 0.00 C ATOM 150 NE ARG A 11 8.007 -0.915 17.346 1.00 0.00 N ATOM 151 CZ ARG A 11 7.115 -0.835 18.297 1.00 0.00 C ATOM 152 NH1 ARG A 11 7.243 0.055 19.241 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.091 -1.644 18.301 1.00 0.00 N ATOM 0 H ARG A 11 12.542 -0.183 15.915 1.00 0.00 H new ATOM 0 HA ARG A 11 12.898 -2.782 17.282 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.407 -2.470 17.620 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.396 -1.198 18.309 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.008 0.179 16.206 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.927 -1.072 15.625 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.514 0.168 18.377 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.901 0.968 16.944 1.00 0.00 H new ATOM 0 HE ARG A 11 7.898 -1.602 16.600 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.041 0.691 19.238 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.545 0.116 19.983 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.987 -2.339 17.562 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.395 -1.581 19.044 1.00 0.00 H new ATOM 167 N ILE A 12 11.686 -4.338 15.673 1.00 0.00 N ATOM 168 CA ILE A 12 11.293 -5.268 14.570 1.00 0.00 C ATOM 169 C ILE A 12 9.769 -5.315 14.416 1.00 0.00 C ATOM 170 O ILE A 12 9.036 -5.426 15.378 1.00 0.00 O ATOM 171 CB ILE A 12 11.812 -6.676 14.896 1.00 0.00 C ATOM 172 CG1 ILE A 12 13.360 -6.690 14.861 1.00 0.00 C ATOM 173 CG2 ILE A 12 11.245 -7.693 13.893 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.890 -6.877 13.428 1.00 0.00 C ATOM 0 H ILE A 12 11.802 -4.777 16.587 1.00 0.00 H new ATOM 0 HA ILE A 12 11.726 -4.910 13.636 1.00 0.00 H new ATOM 0 HB ILE A 12 11.482 -6.954 15.897 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.743 -5.756 15.273 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.732 -7.494 15.496 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.619 -8.688 14.133 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.156 -7.691 13.949 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.557 -7.422 12.884 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.980 -6.882 13.441 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.528 -7.823 13.027 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.538 -6.058 12.800 1.00 0.00 H new ATOM 186 N LEU A 13 9.297 -5.261 13.198 1.00 0.00 N ATOM 187 CA LEU A 13 7.828 -5.331 12.944 1.00 0.00 C ATOM 188 C LEU A 13 7.445 -6.798 12.741 1.00 0.00 C ATOM 189 O LEU A 13 8.292 -7.644 12.536 1.00 0.00 O ATOM 190 CB LEU A 13 7.494 -4.548 11.667 1.00 0.00 C ATOM 191 CG LEU A 13 7.441 -3.037 11.960 1.00 0.00 C ATOM 192 CD1 LEU A 13 7.677 -2.257 10.666 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.066 -2.649 12.524 1.00 0.00 C ATOM 0 H LEU A 13 9.872 -5.171 12.361 1.00 0.00 H new ATOM 0 HA LEU A 13 7.281 -4.905 13.785 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.244 -4.750 10.903 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.536 -4.881 11.269 1.00 0.00 H new ATOM 0 HG LEU A 13 8.213 -2.798 12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.639 -1.188 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.655 -2.514 10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.905 -2.513 9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.045 -1.578 12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.292 -2.897 11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.885 -3.196 13.449 1.00 0.00 H new ATOM 205 N LYS A 14 6.177 -7.111 12.777 1.00 0.00 N ATOM 206 CA LYS A 14 5.760 -8.529 12.564 1.00 0.00 C ATOM 207 C LYS A 14 5.520 -8.753 11.070 1.00 0.00 C ATOM 208 O LYS A 14 5.143 -7.847 10.353 1.00 0.00 O ATOM 209 CB LYS A 14 4.468 -8.812 13.344 1.00 0.00 C ATOM 210 CG LYS A 14 4.774 -8.899 14.854 1.00 0.00 C ATOM 211 CD LYS A 14 5.235 -10.325 15.229 1.00 0.00 C ATOM 212 CE LYS A 14 6.160 -10.272 16.451 1.00 0.00 C ATOM 213 NZ LYS A 14 6.329 -11.645 17.007 1.00 0.00 N ATOM 0 H LYS A 14 5.416 -6.452 12.943 1.00 0.00 H new ATOM 0 HA LYS A 14 6.541 -9.201 12.918 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.740 -8.023 13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.022 -9.745 13.000 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.549 -8.179 15.117 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.885 -8.635 15.427 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.369 -10.951 15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.756 -10.781 14.387 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.129 -9.861 16.169 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.741 -9.610 17.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.956 -11.609 17.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.402 -12.021 17.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.747 -12.264 16.283 1.00 0.00 H new ATOM 227 N THR A 15 5.746 -9.948 10.592 1.00 0.00 N ATOM 228 CA THR A 15 5.541 -10.225 9.140 1.00 0.00 C ATOM 229 C THR A 15 4.215 -9.621 8.673 1.00 0.00 C ATOM 230 O THR A 15 3.276 -9.494 9.434 1.00 0.00 O ATOM 231 CB THR A 15 5.519 -11.736 8.906 1.00 0.00 C ATOM 232 OG1 THR A 15 6.767 -12.293 9.294 1.00 0.00 O ATOM 233 CG2 THR A 15 5.271 -12.019 7.424 1.00 0.00 C ATOM 0 H THR A 15 6.064 -10.744 11.144 1.00 0.00 H new ATOM 0 HA THR A 15 6.358 -9.777 8.574 1.00 0.00 H new ATOM 0 HB THR A 15 4.722 -12.184 9.499 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.753 -13.262 9.146 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.255 -13.096 7.257 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.313 -11.592 7.127 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.068 -11.571 6.830 1.00 0.00 H new ATOM 241 N GLY A 16 4.133 -9.245 7.423 1.00 0.00 N ATOM 242 CA GLY A 16 2.869 -8.646 6.902 1.00 0.00 C ATOM 243 C GLY A 16 2.886 -7.133 7.132 1.00 0.00 C ATOM 244 O GLY A 16 2.389 -6.370 6.328 1.00 0.00 O ATOM 0 H GLY A 16 4.887 -9.327 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.764 -8.861 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.010 -9.091 7.404 1.00 0.00 H new ATOM 248 N GLU A 17 3.442 -6.693 8.231 1.00 0.00 N ATOM 249 CA GLU A 17 3.475 -5.227 8.524 1.00 0.00 C ATOM 250 C GLU A 17 4.725 -4.592 7.909 1.00 0.00 C ATOM 251 O GLU A 17 5.718 -5.250 7.667 1.00 0.00 O ATOM 252 CB GLU A 17 3.504 -5.014 10.040 1.00 0.00 C ATOM 253 CG GLU A 17 2.152 -5.403 10.640 1.00 0.00 C ATOM 254 CD GLU A 17 2.236 -5.346 12.167 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.326 -5.143 12.673 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.208 -5.507 12.803 1.00 0.00 O ATOM 0 H GLU A 17 3.875 -7.285 8.939 1.00 0.00 H new ATOM 0 HA GLU A 17 2.587 -4.762 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.297 -5.614 10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.727 -3.971 10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.375 -4.727 10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.874 -6.407 10.318 1.00 0.00 H new ATOM 263 N SER A 18 4.674 -3.311 7.661 1.00 0.00 N ATOM 264 CA SER A 18 5.845 -2.606 7.064 1.00 0.00 C ATOM 265 C SER A 18 5.562 -1.102 7.051 1.00 0.00 C ATOM 266 O SER A 18 4.665 -0.627 7.718 1.00 0.00 O ATOM 267 CB SER A 18 6.060 -3.096 5.632 1.00 0.00 C ATOM 268 OG SER A 18 5.166 -2.412 4.764 1.00 0.00 O ATOM 0 H SER A 18 3.865 -2.718 7.848 1.00 0.00 H new ATOM 0 HA SER A 18 6.740 -2.810 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.091 -2.918 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.891 -4.171 5.574 1.00 0.00 H new ATOM 0 HG SER A 18 5.302 -2.722 3.844 1.00 0.00 H new ATOM 274 N GLN A 19 6.313 -0.346 6.291 1.00 0.00 N ATOM 275 CA GLN A 19 6.081 1.131 6.221 1.00 0.00 C ATOM 276 C GLN A 19 6.282 1.597 4.778 1.00 0.00 C ATOM 277 O GLN A 19 7.185 1.158 4.093 1.00 0.00 O ATOM 278 CB GLN A 19 7.063 1.860 7.147 1.00 0.00 C ATOM 279 CG GLN A 19 8.496 1.433 6.826 1.00 0.00 C ATOM 280 CD GLN A 19 9.468 2.178 7.743 1.00 0.00 C ATOM 281 OE1 GLN A 19 9.297 2.123 9.037 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 10.392 2.816 7.279 1.00 0.00 N flip ATOM 0 H GLN A 19 7.080 -0.689 5.713 1.00 0.00 H new ATOM 0 HA GLN A 19 5.065 1.358 6.542 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.960 2.938 7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.831 1.634 8.188 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.605 0.357 6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.726 1.649 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.526 2.859 6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.034 3.309 7.900 1.00 0.00 H new ATOM 291 N ARG A 20 5.435 2.468 4.302 1.00 0.00 N ATOM 292 CA ARG A 20 5.566 2.946 2.896 1.00 0.00 C ATOM 293 C ARG A 20 6.689 3.988 2.804 1.00 0.00 C ATOM 294 O ARG A 20 7.642 3.961 3.556 1.00 0.00 O ATOM 295 CB ARG A 20 4.225 3.561 2.442 1.00 0.00 C ATOM 296 CG ARG A 20 3.996 3.298 0.947 1.00 0.00 C ATOM 297 CD ARG A 20 2.641 3.870 0.526 1.00 0.00 C ATOM 298 NE ARG A 20 2.565 5.307 0.911 1.00 0.00 N ATOM 299 CZ ARG A 20 1.645 6.072 0.389 1.00 0.00 C ATOM 300 NH1 ARG A 20 0.794 5.577 -0.467 1.00 0.00 N ATOM 301 NH2 ARG A 20 1.576 7.332 0.722 1.00 0.00 N ATOM 0 H ARG A 20 4.657 2.870 4.826 1.00 0.00 H new ATOM 0 HA ARG A 20 5.815 2.109 2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.407 3.135 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.226 4.634 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.793 3.756 0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.028 2.227 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.509 3.764 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.835 3.312 1.003 1.00 0.00 H new ATOM 0 HE ARG A 20 3.230 5.692 1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.848 4.592 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.075 6.175 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.241 7.720 1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.857 7.929 0.313 1.00 0.00 H new ATOM 315 N LYS A 21 6.580 4.899 1.875 1.00 0.00 N ATOM 316 CA LYS A 21 7.631 5.944 1.708 1.00 0.00 C ATOM 317 C LYS A 21 7.297 7.160 2.576 1.00 0.00 C ATOM 318 O LYS A 21 8.149 7.968 2.885 1.00 0.00 O ATOM 319 CB LYS A 21 7.677 6.378 0.239 1.00 0.00 C ATOM 320 CG LYS A 21 7.617 5.145 -0.678 1.00 0.00 C ATOM 321 CD LYS A 21 8.138 5.499 -2.088 1.00 0.00 C ATOM 322 CE LYS A 21 9.633 5.177 -2.195 1.00 0.00 C ATOM 323 NZ LYS A 21 10.354 5.718 -1.009 1.00 0.00 N ATOM 0 H LYS A 21 5.801 4.965 1.219 1.00 0.00 H new ATOM 0 HA LYS A 21 8.596 5.537 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.841 7.043 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.591 6.940 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.215 4.339 -0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.592 4.781 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.583 4.939 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.971 6.557 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.778 4.099 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.042 5.608 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.379 5.602 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.131 6.728 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.056 5.202 -0.156 1.00 0.00 H new ATOM 337 N ASP A 22 6.059 7.303 2.957 1.00 0.00 N ATOM 338 CA ASP A 22 5.663 8.475 3.788 1.00 0.00 C ATOM 339 C ASP A 22 6.022 8.227 5.256 1.00 0.00 C ATOM 340 O ASP A 22 5.733 9.033 6.117 1.00 0.00 O ATOM 341 CB ASP A 22 4.155 8.693 3.662 1.00 0.00 C ATOM 342 CG ASP A 22 3.809 9.039 2.213 1.00 0.00 C ATOM 343 OD1 ASP A 22 3.779 8.131 1.399 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.579 10.206 1.942 1.00 0.00 O ATOM 0 H ASP A 22 5.302 6.658 2.729 1.00 0.00 H new ATOM 0 HA ASP A 22 6.196 9.359 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.620 7.795 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.836 9.497 4.325 1.00 0.00 H new ATOM 349 N GLY A 23 6.654 7.124 5.550 1.00 0.00 N ATOM 350 CA GLY A 23 7.032 6.837 6.963 1.00 0.00 C ATOM 351 C GLY A 23 5.830 6.263 7.713 1.00 0.00 C ATOM 352 O GLY A 23 5.970 5.682 8.771 1.00 0.00 O ATOM 0 H GLY A 23 6.925 6.410 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.861 6.130 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.374 7.750 7.450 1.00 0.00 H new ATOM 356 N ARG A 24 4.650 6.415 7.177 1.00 0.00 N ATOM 357 CA ARG A 24 3.449 5.871 7.869 1.00 0.00 C ATOM 358 C ARG A 24 3.501 4.344 7.837 1.00 0.00 C ATOM 359 O ARG A 24 4.144 3.753 6.991 1.00 0.00 O ATOM 360 CB ARG A 24 2.179 6.358 7.169 1.00 0.00 C ATOM 361 CG ARG A 24 2.141 5.822 5.736 1.00 0.00 C ATOM 362 CD ARG A 24 1.102 6.604 4.927 1.00 0.00 C ATOM 363 NE ARG A 24 1.461 8.051 4.930 1.00 0.00 N ATOM 364 CZ ARG A 24 0.917 8.859 4.063 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.049 8.404 3.206 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.242 10.123 4.054 1.00 0.00 N ATOM 0 H ARG A 24 4.467 6.890 6.293 1.00 0.00 H new ATOM 0 HA ARG A 24 3.438 6.217 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.299 6.022 7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.152 7.448 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.124 5.917 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.892 4.761 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.064 6.229 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.110 6.463 5.355 1.00 0.00 H new ATOM 0 HE ARG A 24 2.132 8.409 5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.205 7.416 3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.377 9.035 2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.922 10.480 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.816 10.754 3.375 1.00 0.00 H new ATOM 380 N TYR A 25 2.839 3.700 8.756 1.00 0.00 N ATOM 381 CA TYR A 25 2.862 2.213 8.781 1.00 0.00 C ATOM 382 C TYR A 25 1.930 1.660 7.698 1.00 0.00 C ATOM 383 O TYR A 25 0.968 2.293 7.305 1.00 0.00 O ATOM 384 CB TYR A 25 2.410 1.726 10.163 1.00 0.00 C ATOM 385 CG TYR A 25 3.544 1.896 11.151 1.00 0.00 C ATOM 386 CD1 TYR A 25 4.672 1.074 11.060 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.469 2.874 12.153 1.00 0.00 C ATOM 388 CE1 TYR A 25 5.725 1.224 11.968 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.524 3.024 13.064 1.00 0.00 C ATOM 390 CZ TYR A 25 5.654 2.197 12.972 1.00 0.00 C ATOM 391 OH TYR A 25 6.695 2.335 13.873 1.00 0.00 O ATOM 0 H TYR A 25 2.284 4.139 9.490 1.00 0.00 H new ATOM 0 HA TYR A 25 3.874 1.859 8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.538 2.291 10.493 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.111 0.679 10.112 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.730 0.322 10.287 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.600 3.511 12.223 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.595 0.588 11.895 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.467 3.776 13.837 1.00 0.00 H new ATOM 0 HH TYR A 25 6.488 3.056 14.504 1.00 0.00 H new ATOM 401 N LEU A 26 2.220 0.477 7.213 1.00 0.00 N ATOM 402 CA LEU A 26 1.375 -0.143 6.146 1.00 0.00 C ATOM 403 C LEU A 26 1.261 -1.645 6.425 1.00 0.00 C ATOM 404 O LEU A 26 2.247 -2.319 6.652 1.00 0.00 O ATOM 405 CB LEU A 26 2.049 0.110 4.772 1.00 0.00 C ATOM 406 CG LEU A 26 1.611 -0.917 3.703 1.00 0.00 C ATOM 407 CD1 LEU A 26 0.101 -0.841 3.474 1.00 0.00 C ATOM 408 CD2 LEU A 26 2.321 -0.601 2.384 1.00 0.00 C ATOM 0 H LEU A 26 3.013 -0.090 7.514 1.00 0.00 H new ATOM 0 HA LEU A 26 0.376 0.292 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.803 1.115 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.132 0.070 4.889 1.00 0.00 H new ATOM 0 HG LEU A 26 1.872 -1.917 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.190 -1.571 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.420 -1.057 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.165 0.160 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.017 -1.322 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.053 0.404 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.400 -0.660 2.528 1.00 0.00 H new ATOM 420 N TYR A 27 0.062 -2.170 6.403 1.00 0.00 N ATOM 421 CA TYR A 27 -0.142 -3.629 6.653 1.00 0.00 C ATOM 422 C TYR A 27 -1.058 -4.199 5.571 1.00 0.00 C ATOM 423 O TYR A 27 -2.270 -4.142 5.675 1.00 0.00 O ATOM 424 CB TYR A 27 -0.781 -3.819 8.033 1.00 0.00 C ATOM 425 CG TYR A 27 -1.291 -5.239 8.193 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.404 -6.312 8.081 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.646 -5.478 8.464 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.864 -7.625 8.237 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.108 -6.792 8.619 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.218 -7.865 8.506 1.00 0.00 C ATOM 431 OH TYR A 27 -2.672 -9.159 8.659 1.00 0.00 O ATOM 0 H TYR A 27 -0.793 -1.644 6.221 1.00 0.00 H new ATOM 0 HA TYR A 27 0.815 -4.150 6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.051 -3.599 8.812 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.603 -3.115 8.159 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.640 -6.128 7.873 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.333 -4.650 8.553 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.176 -8.453 8.150 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.152 -6.976 8.826 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.156 -9.434 7.852 1.00 0.00 H new ATOM 441 N LYS A 28 -0.483 -4.757 4.538 1.00 0.00 N ATOM 442 CA LYS A 28 -1.302 -5.365 3.446 1.00 0.00 C ATOM 443 C LYS A 28 -1.302 -6.882 3.646 1.00 0.00 C ATOM 444 O LYS A 28 -0.294 -7.464 3.998 1.00 0.00 O ATOM 445 CB LYS A 28 -0.713 -4.990 2.073 1.00 0.00 C ATOM 446 CG LYS A 28 0.525 -5.847 1.755 1.00 0.00 C ATOM 447 CD LYS A 28 1.258 -5.287 0.517 1.00 0.00 C ATOM 448 CE LYS A 28 0.608 -5.808 -0.777 1.00 0.00 C ATOM 449 NZ LYS A 28 1.237 -7.105 -1.157 1.00 0.00 N ATOM 0 H LYS A 28 0.526 -4.818 4.403 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.325 -4.990 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.467 -5.131 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.442 -3.934 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.199 -5.857 2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.225 -6.879 1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.229 -4.197 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.308 -5.578 0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.464 -5.940 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.734 -5.081 -1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.800 -7.460 -2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.256 -6.965 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.095 -7.797 -0.393 1.00 0.00 H new ATOM 463 N TYR A 29 -2.410 -7.534 3.432 1.00 0.00 N ATOM 464 CA TYR A 29 -2.435 -9.015 3.624 1.00 0.00 C ATOM 465 C TYR A 29 -3.515 -9.646 2.745 1.00 0.00 C ATOM 466 O TYR A 29 -4.507 -9.028 2.412 1.00 0.00 O ATOM 467 CB TYR A 29 -2.705 -9.343 5.094 1.00 0.00 C ATOM 468 CG TYR A 29 -4.069 -8.835 5.496 1.00 0.00 C ATOM 469 CD1 TYR A 29 -4.216 -7.524 5.963 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.183 -9.678 5.412 1.00 0.00 C ATOM 471 CE1 TYR A 29 -5.479 -7.054 6.343 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.446 -9.209 5.793 1.00 0.00 C ATOM 473 CZ TYR A 29 -6.593 -7.897 6.259 1.00 0.00 C ATOM 474 OH TYR A 29 -7.837 -7.435 6.635 1.00 0.00 O ATOM 0 H TYR A 29 -3.291 -7.114 3.136 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.466 -9.423 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.649 -10.420 5.251 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.939 -8.889 5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.355 -6.875 6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.068 -10.690 5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.593 -6.041 6.701 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.306 -9.859 5.727 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.500 -8.146 6.514 1.00 0.00 H new ATOM 484 N ILE A 30 -3.315 -10.879 2.372 1.00 0.00 N ATOM 485 CA ILE A 30 -4.305 -11.584 1.511 1.00 0.00 C ATOM 486 C ILE A 30 -5.489 -12.027 2.376 1.00 0.00 C ATOM 487 O ILE A 30 -5.335 -12.777 3.321 1.00 0.00 O ATOM 488 CB ILE A 30 -3.629 -12.810 0.860 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.150 -12.505 0.577 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.323 -13.169 -0.459 1.00 0.00 C ATOM 491 CD1 ILE A 30 -2.018 -11.275 -0.321 1.00 0.00 C ATOM 0 H ILE A 30 -2.499 -11.434 2.630 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.664 -10.919 0.725 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.709 -13.650 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.622 -12.336 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.681 -13.364 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.833 -14.035 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.370 -13.403 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.260 -12.324 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.964 -11.074 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.528 -11.458 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.468 -10.414 0.173 1.00 0.00 H new ATOM 503 N ASP A 31 -6.667 -11.559 2.070 1.00 0.00 N ATOM 504 CA ASP A 31 -7.856 -11.943 2.886 1.00 0.00 C ATOM 505 C ASP A 31 -8.357 -13.326 2.472 1.00 0.00 C ATOM 506 O ASP A 31 -9.541 -13.594 2.438 1.00 0.00 O ATOM 507 CB ASP A 31 -8.970 -10.925 2.683 1.00 0.00 C ATOM 508 CG ASP A 31 -9.180 -10.659 1.190 1.00 0.00 C ATOM 509 OD1 ASP A 31 -8.219 -10.752 0.445 1.00 0.00 O ATOM 510 OD2 ASP A 31 -10.303 -10.361 0.816 1.00 0.00 O ATOM 0 H ASP A 31 -6.859 -10.928 1.292 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.566 -11.966 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.894 -11.294 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.720 -9.995 3.194 1.00 0.00 H new ATOM 515 N SER A 32 -7.453 -14.202 2.178 1.00 0.00 N ATOM 516 CA SER A 32 -7.836 -15.589 1.782 1.00 0.00 C ATOM 517 C SER A 32 -8.767 -15.562 0.565 1.00 0.00 C ATOM 518 O SER A 32 -9.245 -16.587 0.121 1.00 0.00 O ATOM 519 CB SER A 32 -8.550 -16.268 2.951 1.00 0.00 C ATOM 520 OG SER A 32 -8.593 -17.671 2.725 1.00 0.00 O ATOM 0 H SER A 32 -6.449 -14.022 2.193 1.00 0.00 H new ATOM 0 HA SER A 32 -6.934 -16.143 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.029 -16.054 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.561 -15.873 3.053 1.00 0.00 H new ATOM 0 HG SER A 32 -8.777 -17.844 1.778 1.00 0.00 H new ATOM 526 N PHE A 33 -9.026 -14.404 0.018 1.00 0.00 N ATOM 527 CA PHE A 33 -9.926 -14.317 -1.174 1.00 0.00 C ATOM 528 C PHE A 33 -9.064 -14.267 -2.438 1.00 0.00 C ATOM 529 O PHE A 33 -9.466 -14.712 -3.494 1.00 0.00 O ATOM 530 CB PHE A 33 -10.774 -13.037 -1.073 1.00 0.00 C ATOM 531 CG PHE A 33 -12.036 -13.310 -0.284 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.100 -13.987 -0.889 1.00 0.00 C ATOM 533 CD2 PHE A 33 -12.141 -12.888 1.047 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.270 -14.244 -0.165 1.00 0.00 C ATOM 535 CE2 PHE A 33 -13.311 -13.145 1.772 1.00 0.00 C ATOM 536 CZ PHE A 33 -14.375 -13.823 1.166 1.00 0.00 C ATOM 0 H PHE A 33 -8.654 -13.512 0.344 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.586 -15.184 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.198 -12.247 -0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.030 -12.681 -2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.019 -14.312 -1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.320 -12.365 1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.091 -14.767 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.392 -12.820 2.799 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.277 -14.021 1.725 1.00 0.00 H new ATOM 546 N GLY A 34 -7.881 -13.720 -2.329 1.00 0.00 N ATOM 547 CA GLY A 34 -6.966 -13.618 -3.510 1.00 0.00 C ATOM 548 C GLY A 34 -6.779 -12.146 -3.865 1.00 0.00 C ATOM 549 O GLY A 34 -6.620 -11.787 -5.014 1.00 0.00 O ATOM 0 H GLY A 34 -7.504 -13.335 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.004 -14.076 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.384 -14.160 -4.358 1.00 0.00 H new ATOM 553 N GLU A 35 -6.800 -11.287 -2.880 1.00 0.00 N ATOM 554 CA GLU A 35 -6.626 -9.831 -3.149 1.00 0.00 C ATOM 555 C GLU A 35 -6.133 -9.142 -1.859 1.00 0.00 C ATOM 556 O GLU A 35 -6.878 -9.027 -0.906 1.00 0.00 O ATOM 557 CB GLU A 35 -7.973 -9.223 -3.581 1.00 0.00 C ATOM 558 CG GLU A 35 -9.112 -9.981 -2.906 1.00 0.00 C ATOM 559 CD GLU A 35 -10.443 -9.294 -3.215 1.00 0.00 C ATOM 560 OE1 GLU A 35 -10.659 -8.954 -4.366 1.00 0.00 O ATOM 561 OE2 GLU A 35 -11.223 -9.117 -2.294 1.00 0.00 O ATOM 0 H GLU A 35 -6.931 -11.533 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.898 -9.684 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.012 -8.168 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.078 -9.277 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.134 -11.012 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.951 -10.015 -1.829 1.00 0.00 H new ATOM 568 N PRO A 36 -4.896 -8.692 -1.808 1.00 0.00 N ATOM 569 CA PRO A 36 -4.345 -8.024 -0.593 1.00 0.00 C ATOM 570 C PRO A 36 -5.327 -7.035 0.044 1.00 0.00 C ATOM 571 O PRO A 36 -6.249 -6.559 -0.590 1.00 0.00 O ATOM 572 CB PRO A 36 -3.103 -7.305 -1.118 1.00 0.00 C ATOM 573 CG PRO A 36 -2.622 -8.167 -2.239 1.00 0.00 C ATOM 574 CD PRO A 36 -3.881 -8.761 -2.882 1.00 0.00 C ATOM 0 HA PRO A 36 -4.134 -8.739 0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.342 -6.300 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.345 -7.203 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.051 -7.585 -2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.963 -8.953 -1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.188 -8.191 -3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.716 -9.787 -3.210 1.00 0.00 H new ATOM 582 N GLN A 37 -5.126 -6.729 1.302 1.00 0.00 N ATOM 583 CA GLN A 37 -6.026 -5.775 2.023 1.00 0.00 C ATOM 584 C GLN A 37 -5.160 -4.724 2.727 1.00 0.00 C ATOM 585 O GLN A 37 -4.618 -4.961 3.789 1.00 0.00 O ATOM 586 CB GLN A 37 -6.848 -6.554 3.053 1.00 0.00 C ATOM 587 CG GLN A 37 -7.963 -5.662 3.605 1.00 0.00 C ATOM 588 CD GLN A 37 -9.073 -5.525 2.563 1.00 0.00 C ATOM 589 OE1 GLN A 37 -9.989 -6.323 2.525 1.00 0.00 O ATOM 590 NE2 GLN A 37 -9.031 -4.540 1.710 1.00 0.00 N ATOM 0 H GLN A 37 -4.366 -7.105 1.868 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.701 -5.280 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.276 -7.445 2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.205 -6.893 3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.364 -6.090 4.524 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.565 -4.679 3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.262 -3.870 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.767 -4.439 1.011 1.00 0.00 H new ATOM 599 N PHE A 38 -5.012 -3.573 2.123 1.00 0.00 N ATOM 600 CA PHE A 38 -4.163 -2.491 2.714 1.00 0.00 C ATOM 601 C PHE A 38 -4.824 -1.846 3.943 1.00 0.00 C ATOM 602 O PHE A 38 -6.015 -1.606 3.982 1.00 0.00 O ATOM 603 CB PHE A 38 -3.936 -1.394 1.645 1.00 0.00 C ATOM 604 CG PHE A 38 -2.657 -1.634 0.864 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.480 -2.814 0.134 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.650 -0.653 0.850 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.307 -3.009 -0.596 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.476 -0.858 0.120 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.305 -2.037 -0.604 1.00 0.00 C ATOM 0 H PHE A 38 -5.449 -3.332 1.233 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.221 -2.940 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.783 -1.372 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.891 -0.418 2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.249 -3.572 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.784 0.263 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.173 -3.920 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.297 -0.104 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.601 -2.198 -1.170 1.00 0.00 H new ATOM 619 N VAL A 39 -4.017 -1.511 4.918 1.00 0.00 N ATOM 620 CA VAL A 39 -4.512 -0.810 6.143 1.00 0.00 C ATOM 621 C VAL A 39 -3.504 0.304 6.444 1.00 0.00 C ATOM 622 O VAL A 39 -2.330 0.046 6.628 1.00 0.00 O ATOM 623 CB VAL A 39 -4.587 -1.780 7.324 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.305 -1.104 8.497 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.362 -3.032 6.908 1.00 0.00 C ATOM 0 H VAL A 39 -3.014 -1.698 4.916 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.513 -0.410 5.984 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.578 -2.060 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.358 -1.795 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.755 -0.212 8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.314 -0.824 8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.415 -3.723 7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.371 -2.751 6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.853 -3.515 6.074 1.00 0.00 H new ATOM 635 N TYR A 40 -3.933 1.544 6.447 1.00 0.00 N ATOM 636 CA TYR A 40 -2.976 2.678 6.680 1.00 0.00 C ATOM 637 C TYR A 40 -3.099 3.226 8.104 1.00 0.00 C ATOM 638 O TYR A 40 -4.175 3.336 8.659 1.00 0.00 O ATOM 639 CB TYR A 40 -3.289 3.808 5.687 1.00 0.00 C ATOM 640 CG TYR A 40 -2.731 3.469 4.326 1.00 0.00 C ATOM 641 CD1 TYR A 40 -3.500 2.741 3.411 1.00 0.00 C ATOM 642 CD2 TYR A 40 -1.444 3.892 3.979 1.00 0.00 C ATOM 643 CE1 TYR A 40 -2.982 2.438 2.147 1.00 0.00 C ATOM 644 CE2 TYR A 40 -0.924 3.588 2.716 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.693 2.861 1.798 1.00 0.00 C ATOM 646 OH TYR A 40 -1.182 2.563 0.550 1.00 0.00 O ATOM 0 H TYR A 40 -4.903 1.822 6.299 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.962 2.305 6.538 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.367 3.957 5.620 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.859 4.745 6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.493 2.413 3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.851 4.453 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.576 1.878 1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.070 3.914 2.449 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.005 1.601 0.490 1.00 0.00 H new ATOM 656 N SER A 41 -1.985 3.588 8.680 1.00 0.00 N ATOM 657 CA SER A 41 -1.985 4.156 10.058 1.00 0.00 C ATOM 658 C SER A 41 -0.644 4.856 10.298 1.00 0.00 C ATOM 659 O SER A 41 0.315 4.616 9.591 1.00 0.00 O ATOM 660 CB SER A 41 -2.158 3.031 11.073 1.00 0.00 C ATOM 661 OG SER A 41 -2.240 3.585 12.381 1.00 0.00 O ATOM 0 H SER A 41 -1.064 3.513 8.249 1.00 0.00 H new ATOM 0 HA SER A 41 -2.804 4.867 10.168 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.060 2.460 10.850 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.319 2.338 11.011 1.00 0.00 H new ATOM 0 HG SER A 41 -3.138 3.434 12.744 1.00 0.00 H new ATOM 667 N TRP A 42 -0.560 5.717 11.286 1.00 0.00 N ATOM 668 CA TRP A 42 0.728 6.427 11.567 1.00 0.00 C ATOM 669 C TRP A 42 1.310 5.886 12.872 1.00 0.00 C ATOM 670 O TRP A 42 2.509 5.779 13.040 1.00 0.00 O ATOM 671 CB TRP A 42 0.452 7.927 11.729 1.00 0.00 C ATOM 672 CG TRP A 42 0.301 8.580 10.391 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.876 8.939 9.829 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.342 8.974 9.451 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.624 9.531 8.604 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.727 9.575 8.326 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.745 8.871 9.463 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.479 10.058 7.253 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.504 9.353 8.383 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.872 9.947 7.282 1.00 0.00 C ATOM 0 H TRP A 42 -1.330 5.958 11.910 1.00 0.00 H new ATOM 0 HA TRP A 42 1.428 6.268 10.747 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.454 8.075 12.317 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.268 8.396 12.279 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.852 8.788 10.265 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.348 9.891 7.982 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.242 8.418 10.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.988 10.514 6.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.580 9.265 8.401 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.461 10.319 6.457 1.00 0.00 H new ATOM 691 N LYS A 43 0.458 5.565 13.806 1.00 0.00 N ATOM 692 CA LYS A 43 0.927 5.049 15.124 1.00 0.00 C ATOM 693 C LYS A 43 0.891 3.522 15.133 1.00 0.00 C ATOM 694 O LYS A 43 -0.123 2.918 14.847 1.00 0.00 O ATOM 695 CB LYS A 43 -0.007 5.559 16.229 1.00 0.00 C ATOM 696 CG LYS A 43 -0.253 7.066 16.078 1.00 0.00 C ATOM 697 CD LYS A 43 -1.491 7.464 16.895 1.00 0.00 C ATOM 698 CE LYS A 43 -2.779 6.878 16.277 1.00 0.00 C ATOM 699 NZ LYS A 43 -3.847 7.916 16.312 1.00 0.00 N ATOM 0 H LYS A 43 -0.555 5.639 13.711 1.00 0.00 H new ATOM 0 HA LYS A 43 1.947 5.395 15.294 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.956 5.024 16.186 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.431 5.353 17.206 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.618 7.624 16.421 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.400 7.318 15.028 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.383 7.110 17.920 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.567 8.550 16.939 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.594 6.562 15.250 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.094 5.994 16.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.655 7.603 15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.157 8.062 17.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.476 8.809 15.930 1.00 0.00 H new ATOM 713 N LEU A 44 1.972 2.888 15.489 1.00 0.00 N ATOM 714 CA LEU A 44 1.960 1.403 15.544 1.00 0.00 C ATOM 715 C LEU A 44 1.184 0.993 16.795 1.00 0.00 C ATOM 716 O LEU A 44 0.735 -0.126 16.928 1.00 0.00 O ATOM 717 CB LEU A 44 3.395 0.874 15.612 1.00 0.00 C ATOM 718 CG LEU A 44 3.404 -0.652 15.776 1.00 0.00 C ATOM 719 CD1 LEU A 44 2.608 -1.315 14.639 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.855 -1.148 15.735 1.00 0.00 C ATOM 0 H LEU A 44 2.856 3.330 15.742 1.00 0.00 H new ATOM 0 HA LEU A 44 1.488 0.988 14.654 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.933 1.150 14.705 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.919 1.338 16.448 1.00 0.00 H new ATOM 0 HG LEU A 44 2.943 -0.914 16.728 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.623 -2.397 14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.577 -0.961 14.662 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.059 -1.057 13.681 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.872 -2.232 15.851 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.305 -0.878 14.780 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.420 -0.687 16.545 1.00 0.00 H new ATOM 732 N VAL A 45 1.008 1.914 17.707 1.00 0.00 N ATOM 733 CA VAL A 45 0.242 1.620 18.955 1.00 0.00 C ATOM 734 C VAL A 45 -0.524 2.883 19.346 1.00 0.00 C ATOM 735 O VAL A 45 -0.137 3.982 19.005 1.00 0.00 O ATOM 736 CB VAL A 45 1.202 1.188 20.075 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.293 0.292 19.487 1.00 0.00 C ATOM 738 CG2 VAL A 45 1.853 2.414 20.729 1.00 0.00 C ATOM 0 H VAL A 45 1.366 2.867 17.639 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.459 0.802 18.791 1.00 0.00 H new ATOM 0 HB VAL A 45 0.637 0.644 20.832 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.976 -0.017 20.278 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.837 -0.590 19.037 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.845 0.843 18.726 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.529 2.089 21.519 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.413 2.972 19.979 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.079 3.054 21.154 1.00 0.00 H new ATOM 748 N ALA A 46 -1.617 2.738 20.028 1.00 0.00 N ATOM 749 CA ALA A 46 -2.409 3.938 20.400 1.00 0.00 C ATOM 750 C ALA A 46 -1.726 4.660 21.560 1.00 0.00 C ATOM 751 O ALA A 46 -2.263 4.782 22.643 1.00 0.00 O ATOM 752 CB ALA A 46 -3.832 3.502 20.767 1.00 0.00 C ATOM 0 H ALA A 46 -1.997 1.846 20.344 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.467 4.632 19.562 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.421 4.377 21.042 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.293 3.008 19.912 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.795 2.811 21.609 1.00 0.00 H new ATOM 758 N THR A 47 -0.538 5.150 21.321 1.00 0.00 N ATOM 759 CA THR A 47 0.213 5.886 22.376 1.00 0.00 C ATOM 760 C THR A 47 1.117 6.923 21.705 1.00 0.00 C ATOM 761 O THR A 47 1.336 8.003 22.218 1.00 0.00 O ATOM 762 CB THR A 47 1.067 4.900 23.185 1.00 0.00 C ATOM 763 OG1 THR A 47 0.321 3.712 23.418 1.00 0.00 O ATOM 764 CG2 THR A 47 1.451 5.531 24.523 1.00 0.00 C ATOM 0 H THR A 47 -0.052 5.070 20.428 1.00 0.00 H new ATOM 0 HA THR A 47 -0.485 6.384 23.049 1.00 0.00 H new ATOM 0 HB THR A 47 1.972 4.660 22.626 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.865 3.080 23.933 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.057 4.829 25.096 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.022 6.442 24.345 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.548 5.772 25.084 1.00 0.00 H new ATOM 772 N ASP A 48 1.641 6.597 20.554 1.00 0.00 N ATOM 773 CA ASP A 48 2.529 7.546 19.829 1.00 0.00 C ATOM 774 C ASP A 48 1.713 8.774 19.394 1.00 0.00 C ATOM 775 O ASP A 48 0.635 9.018 19.899 1.00 0.00 O ATOM 776 CB ASP A 48 3.115 6.825 18.600 1.00 0.00 C ATOM 777 CG ASP A 48 4.385 6.064 18.996 1.00 0.00 C ATOM 778 OD1 ASP A 48 4.341 5.349 19.983 1.00 0.00 O ATOM 779 OD2 ASP A 48 5.379 6.209 18.303 1.00 0.00 O ATOM 0 H ASP A 48 1.489 5.705 20.082 1.00 0.00 H new ATOM 0 HA ASP A 48 3.342 7.880 20.474 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.380 6.133 18.189 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.344 7.549 17.818 1.00 0.00 H new ATOM 784 N ARG A 49 2.226 9.552 18.467 1.00 0.00 N ATOM 785 CA ARG A 49 1.493 10.777 17.997 1.00 0.00 C ATOM 786 C ARG A 49 1.406 10.765 16.468 1.00 0.00 C ATOM 787 O ARG A 49 1.571 9.741 15.839 1.00 0.00 O ATOM 788 CB ARG A 49 2.262 12.025 18.448 1.00 0.00 C ATOM 789 CG ARG A 49 2.296 12.104 19.987 1.00 0.00 C ATOM 790 CD ARG A 49 1.042 12.817 20.511 1.00 0.00 C ATOM 791 NE ARG A 49 1.267 14.290 20.495 1.00 0.00 N ATOM 792 CZ ARG A 49 0.256 15.107 20.612 1.00 0.00 C ATOM 793 NH1 ARG A 49 -0.953 14.634 20.739 1.00 0.00 N ATOM 794 NH2 ARG A 49 0.455 16.397 20.602 1.00 0.00 N ATOM 0 H ARG A 49 3.125 9.391 18.013 1.00 0.00 H new ATOM 0 HA ARG A 49 0.488 10.787 18.419 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.279 11.996 18.056 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.789 12.919 18.041 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.355 11.100 20.408 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.189 12.639 20.311 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.181 12.563 19.893 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.817 12.483 21.524 1.00 0.00 H new ATOM 0 HE ARG A 49 2.212 14.660 20.393 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.108 13.626 20.747 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.743 15.272 20.830 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.401 16.766 20.503 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.335 17.036 20.693 1.00 0.00 H new ATOM 808 N VAL A 50 1.150 11.903 15.868 1.00 0.00 N ATOM 809 CA VAL A 50 1.048 11.969 14.375 1.00 0.00 C ATOM 810 C VAL A 50 1.325 13.415 13.910 1.00 0.00 C ATOM 811 O VAL A 50 0.636 14.329 14.315 1.00 0.00 O ATOM 812 CB VAL A 50 -0.374 11.582 13.928 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.647 10.120 14.278 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.412 12.482 14.623 1.00 0.00 C ATOM 0 H VAL A 50 1.007 12.791 16.349 1.00 0.00 H new ATOM 0 HA VAL A 50 1.773 11.281 13.940 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.452 11.716 12.849 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.654 9.852 13.960 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.076 9.483 13.769 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.558 9.981 15.355 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.414 12.199 14.299 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.332 12.362 15.703 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.226 13.523 14.359 1.00 0.00 H new ATOM 824 N PRO A 51 2.314 13.642 13.065 1.00 0.00 N ATOM 825 CA PRO A 51 2.626 15.015 12.568 1.00 0.00 C ATOM 826 C PRO A 51 1.369 15.799 12.185 1.00 0.00 C ATOM 827 O PRO A 51 0.418 15.258 11.662 1.00 0.00 O ATOM 828 CB PRO A 51 3.505 14.764 11.340 1.00 0.00 C ATOM 829 CG PRO A 51 4.200 13.470 11.622 1.00 0.00 C ATOM 830 CD PRO A 51 3.243 12.643 12.493 1.00 0.00 C ATOM 0 HA PRO A 51 3.111 15.622 13.333 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.906 14.701 10.432 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.221 15.573 11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.433 12.945 10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.145 13.641 12.138 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.711 11.898 11.902 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.780 12.106 13.275 1.00 0.00 H new ATOM 838 N ALA A 52 1.368 17.071 12.442 1.00 0.00 N ATOM 839 CA ALA A 52 0.191 17.908 12.095 1.00 0.00 C ATOM 840 C ALA A 52 -0.118 17.770 10.599 1.00 0.00 C ATOM 841 O ALA A 52 0.749 17.470 9.803 1.00 0.00 O ATOM 842 CB ALA A 52 0.514 19.363 12.430 1.00 0.00 C ATOM 0 H ALA A 52 2.139 17.573 12.882 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.681 17.583 12.663 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.341 19.992 12.181 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.732 19.452 13.494 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.382 19.685 11.854 1.00 0.00 H new ATOM 848 N GLY A 53 -1.346 17.996 10.209 1.00 0.00 N ATOM 849 CA GLY A 53 -1.710 17.889 8.763 1.00 0.00 C ATOM 850 C GLY A 53 -2.105 16.448 8.429 1.00 0.00 C ATOM 851 O GLY A 53 -2.694 16.181 7.400 1.00 0.00 O ATOM 0 H GLY A 53 -2.114 18.250 10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.536 18.563 8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.868 18.197 8.143 1.00 0.00 H new ATOM 855 N LYS A 54 -1.788 15.516 9.286 1.00 0.00 N ATOM 856 CA LYS A 54 -2.145 14.095 9.015 1.00 0.00 C ATOM 857 C LYS A 54 -3.556 13.817 9.540 1.00 0.00 C ATOM 858 O LYS A 54 -4.023 14.452 10.466 1.00 0.00 O ATOM 859 CB LYS A 54 -1.140 13.186 9.735 1.00 0.00 C ATOM 860 CG LYS A 54 0.163 13.069 8.927 1.00 0.00 C ATOM 861 CD LYS A 54 0.662 14.454 8.487 1.00 0.00 C ATOM 862 CE LYS A 54 2.039 14.319 7.828 1.00 0.00 C ATOM 863 NZ LYS A 54 2.703 15.652 7.793 1.00 0.00 N ATOM 0 H LYS A 54 -1.296 15.678 10.165 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.116 13.901 7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.925 13.586 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.575 12.197 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.927 12.578 9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.003 12.443 8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.045 14.901 7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.723 15.120 9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.652 13.609 8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.934 13.926 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.732 16.000 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.169 16.322 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.673 15.566 8.158 1.00 0.00 H new ATOM 877 N ARG A 55 -4.237 12.868 8.957 1.00 0.00 N ATOM 878 CA ARG A 55 -5.615 12.541 9.419 1.00 0.00 C ATOM 879 C ARG A 55 -5.519 11.648 10.659 1.00 0.00 C ATOM 880 O ARG A 55 -4.610 10.854 10.796 1.00 0.00 O ATOM 881 CB ARG A 55 -6.360 11.806 8.293 1.00 0.00 C ATOM 882 CG ARG A 55 -7.837 11.579 8.668 1.00 0.00 C ATOM 883 CD ARG A 55 -8.680 12.817 8.323 1.00 0.00 C ATOM 884 NE ARG A 55 -9.916 12.818 9.157 1.00 0.00 N ATOM 885 CZ ARG A 55 -10.607 13.915 9.302 1.00 0.00 C ATOM 886 NH1 ARG A 55 -10.197 15.025 8.752 1.00 0.00 N ATOM 887 NH2 ARG A 55 -11.706 13.903 10.006 1.00 0.00 N ATOM 0 H ARG A 55 -3.897 12.304 8.178 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.159 13.451 9.671 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.299 12.386 7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.879 10.848 8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.223 10.710 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.918 11.363 9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.105 13.725 8.504 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.941 12.810 7.265 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.222 11.959 9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.335 15.036 8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.739 15.882 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.023 13.037 10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.248 14.760 10.121 1.00 0.00 H new ATOM 901 N ASP A 56 -6.443 11.783 11.569 1.00 0.00 N ATOM 902 CA ASP A 56 -6.400 10.956 12.807 1.00 0.00 C ATOM 903 C ASP A 56 -6.850 9.526 12.502 1.00 0.00 C ATOM 904 O ASP A 56 -7.523 9.266 11.523 1.00 0.00 O ATOM 905 CB ASP A 56 -7.324 11.571 13.861 1.00 0.00 C ATOM 906 CG ASP A 56 -8.712 11.792 13.258 1.00 0.00 C ATOM 907 OD1 ASP A 56 -9.065 11.062 12.347 1.00 0.00 O ATOM 908 OD2 ASP A 56 -9.400 12.689 13.718 1.00 0.00 O ATOM 0 H ASP A 56 -7.228 12.432 11.509 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.378 10.931 13.184 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.393 10.913 14.727 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.913 12.518 14.212 1.00 0.00 H new ATOM 913 N ALA A 57 -6.478 8.596 13.339 1.00 0.00 N ATOM 914 CA ALA A 57 -6.869 7.176 13.118 1.00 0.00 C ATOM 915 C ALA A 57 -6.395 6.346 14.311 1.00 0.00 C ATOM 916 O ALA A 57 -5.434 6.691 14.968 1.00 0.00 O ATOM 917 CB ALA A 57 -6.202 6.654 11.839 1.00 0.00 C ATOM 0 H ALA A 57 -5.915 8.762 14.173 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.952 7.101 13.016 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.488 5.615 11.677 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.524 7.255 10.989 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.119 6.720 11.940 1.00 0.00 H new ATOM 923 N ILE A 58 -7.037 5.246 14.593 1.00 0.00 N ATOM 924 CA ILE A 58 -6.583 4.413 15.732 1.00 0.00 C ATOM 925 C ILE A 58 -5.286 3.732 15.330 1.00 0.00 C ATOM 926 O ILE A 58 -5.021 3.516 14.163 1.00 0.00 O ATOM 927 CB ILE A 58 -7.631 3.351 16.058 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.776 2.389 14.864 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.966 4.031 16.342 1.00 0.00 C ATOM 930 CD1 ILE A 58 -9.042 1.517 14.996 1.00 0.00 C ATOM 0 H ILE A 58 -7.849 4.893 14.087 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.434 5.038 16.613 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.321 2.785 16.937 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.821 2.961 13.937 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.896 1.749 14.801 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.717 3.276 16.575 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.857 4.708 17.189 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.280 4.596 15.465 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.115 0.849 14.138 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.984 0.927 15.911 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.923 2.158 15.033 1.00 0.00 H new ATOM 942 N SER A 59 -4.467 3.398 16.277 1.00 0.00 N ATOM 943 CA SER A 59 -3.182 2.741 15.939 1.00 0.00 C ATOM 944 C SER A 59 -3.420 1.598 14.963 1.00 0.00 C ATOM 945 O SER A 59 -4.540 1.209 14.698 1.00 0.00 O ATOM 946 CB SER A 59 -2.555 2.188 17.207 1.00 0.00 C ATOM 947 OG SER A 59 -3.096 0.903 17.478 1.00 0.00 O ATOM 0 H SER A 59 -4.631 3.551 17.272 1.00 0.00 H new ATOM 0 HA SER A 59 -2.517 3.473 15.480 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.473 2.123 17.092 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.747 2.860 18.044 1.00 0.00 H new ATOM 0 HG SER A 59 -2.692 0.543 18.295 1.00 0.00 H new ATOM 953 N LEU A 60 -2.369 1.061 14.429 1.00 0.00 N ATOM 954 CA LEU A 60 -2.513 -0.055 13.470 1.00 0.00 C ATOM 955 C LEU A 60 -3.021 -1.291 14.219 1.00 0.00 C ATOM 956 O LEU A 60 -3.891 -2.001 13.754 1.00 0.00 O ATOM 957 CB LEU A 60 -1.141 -0.343 12.851 1.00 0.00 C ATOM 958 CG LEU A 60 -1.193 -1.589 11.960 1.00 0.00 C ATOM 959 CD1 LEU A 60 -2.373 -1.493 10.980 1.00 0.00 C ATOM 960 CD2 LEU A 60 0.127 -1.700 11.174 1.00 0.00 C ATOM 0 H LEU A 60 -1.409 1.350 14.617 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.222 0.202 12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.815 0.515 12.264 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.404 -0.487 13.641 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.328 -2.473 12.583 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.399 -2.384 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.305 -1.416 11.539 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.253 -0.611 10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.098 -2.584 10.537 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.258 -0.812 10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.960 -1.782 11.872 1.00 0.00 H new ATOM 972 N ARG A 61 -2.481 -1.550 15.382 1.00 0.00 N ATOM 973 CA ARG A 61 -2.922 -2.734 16.171 1.00 0.00 C ATOM 974 C ARG A 61 -4.418 -2.610 16.499 1.00 0.00 C ATOM 975 O ARG A 61 -5.093 -3.601 16.689 1.00 0.00 O ATOM 976 CB ARG A 61 -2.086 -2.812 17.470 1.00 0.00 C ATOM 977 CG ARG A 61 -0.954 -3.841 17.324 1.00 0.00 C ATOM 978 CD ARG A 61 0.028 -3.377 16.248 1.00 0.00 C ATOM 979 NE ARG A 61 1.129 -4.388 16.077 1.00 0.00 N ATOM 980 CZ ARG A 61 1.908 -4.737 17.068 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.868 -4.096 18.204 1.00 0.00 N ATOM 982 NH2 ARG A 61 2.771 -5.701 16.902 1.00 0.00 N ATOM 0 H ARG A 61 -1.750 -0.988 15.819 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.771 -3.645 15.593 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.667 -1.832 17.698 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.729 -3.087 18.306 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.436 -3.963 18.275 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.366 -4.814 17.058 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.497 -3.237 15.303 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.451 -2.411 16.524 1.00 0.00 H new ATOM 0 HE ARG A 61 1.272 -4.814 15.161 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.225 -3.314 18.326 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.480 -4.377 18.970 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.836 -6.178 16.003 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.381 -5.977 17.671 1.00 0.00 H new ATOM 996 N GLU A 62 -4.954 -1.417 16.554 1.00 0.00 N ATOM 997 CA GLU A 62 -6.401 -1.289 16.852 1.00 0.00 C ATOM 998 C GLU A 62 -7.174 -1.649 15.582 1.00 0.00 C ATOM 999 O GLU A 62 -8.152 -2.372 15.621 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.699 0.143 17.298 1.00 0.00 C ATOM 1001 CG GLU A 62 -6.336 0.312 18.777 1.00 0.00 C ATOM 1002 CD GLU A 62 -7.399 -0.362 19.647 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -8.363 0.301 19.988 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -7.228 -1.530 19.957 1.00 0.00 O ATOM 0 H GLU A 62 -4.455 -0.540 16.407 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.701 -1.959 17.658 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.131 0.848 16.692 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.754 0.369 17.145 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.358 -0.127 18.974 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.266 1.371 19.026 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.717 -1.194 14.444 1.00 0.00 N ATOM 1012 CA LYS A 63 -7.405 -1.567 13.179 1.00 0.00 C ATOM 1013 C LYS A 63 -7.215 -3.066 12.985 1.00 0.00 C ATOM 1014 O LYS A 63 -8.155 -3.833 12.978 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.779 -0.833 11.986 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.805 0.681 12.216 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.670 1.411 10.877 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.716 2.921 11.113 1.00 0.00 C ATOM 1019 NZ LYS A 63 -6.660 3.629 9.802 1.00 0.00 N ATOM 0 H LYS A 63 -5.905 -0.586 14.339 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.459 -1.297 13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.752 -1.168 11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.323 -1.078 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.736 0.968 12.705 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.993 0.971 12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.733 1.136 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.475 1.112 10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.629 3.189 11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.879 3.228 11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.055 4.586 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.672 3.695 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.215 3.101 9.098 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.982 -3.477 12.846 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.661 -4.923 12.660 1.00 0.00 C ATOM 1035 C ILE A 64 -6.519 -5.765 13.619 1.00 0.00 C ATOM 1036 O ILE A 64 -7.039 -6.801 13.256 1.00 0.00 O ATOM 1037 CB ILE A 64 -4.144 -5.124 12.942 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.356 -4.993 11.625 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.859 -6.502 13.569 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.841 -5.045 11.883 1.00 0.00 C ATOM 0 H ILE A 64 -5.170 -2.860 12.854 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.882 -5.243 11.642 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.830 -4.358 13.651 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.641 -5.796 10.945 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.613 -4.054 11.135 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.789 -6.605 13.751 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.398 -6.591 14.512 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.188 -7.287 12.888 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.307 -4.950 10.937 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.556 -4.226 12.544 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.584 -5.995 12.351 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.656 -5.333 14.839 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.459 -6.113 15.824 1.00 0.00 C ATOM 1054 C ALA A 65 -8.861 -6.383 15.272 1.00 0.00 C ATOM 1055 O ALA A 65 -9.403 -7.456 15.445 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.574 -5.326 17.131 1.00 0.00 C ATOM 0 H ALA A 65 -6.246 -4.471 15.200 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.959 -7.064 16.008 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.161 -5.898 17.850 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.578 -5.147 17.537 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.065 -4.372 16.939 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.460 -5.427 14.618 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.828 -5.661 14.079 1.00 0.00 C ATOM 1064 C GLU A 66 -10.746 -6.579 12.858 1.00 0.00 C ATOM 1065 O GLU A 66 -11.609 -7.404 12.630 1.00 0.00 O ATOM 1066 CB GLU A 66 -11.459 -4.328 13.678 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.453 -3.381 14.879 1.00 0.00 C ATOM 1068 CD GLU A 66 -12.139 -2.068 14.500 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.222 -1.785 13.316 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.571 -1.366 15.400 1.00 0.00 O ATOM 0 H GLU A 66 -9.067 -4.504 14.435 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.442 -6.132 14.846 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.906 -3.886 12.850 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.480 -4.486 13.331 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.968 -3.842 15.721 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.429 -3.189 15.198 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.714 -6.445 12.073 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.575 -7.311 10.867 1.00 0.00 C ATOM 1079 C LEU A 67 -9.339 -8.756 11.308 1.00 0.00 C ATOM 1080 O LEU A 67 -9.724 -9.692 10.634 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.396 -6.825 10.024 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.430 -5.298 9.934 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -7.317 -4.817 9.002 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.788 -4.845 9.386 1.00 0.00 C ATOM 0 H LEU A 67 -8.960 -5.773 12.214 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.486 -7.260 10.270 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.457 -7.153 10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.445 -7.260 9.026 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.281 -4.874 10.927 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.341 -3.729 8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.351 -5.136 9.394 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.464 -5.242 8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.810 -3.757 9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.940 -5.269 8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.581 -5.186 10.052 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.720 -8.948 12.440 1.00 0.00 N ATOM 1097 CA GLN A 68 -8.475 -10.332 12.927 1.00 0.00 C ATOM 1098 C GLN A 68 -9.759 -10.857 13.562 1.00 0.00 C ATOM 1099 O GLN A 68 -9.740 -11.689 14.448 1.00 0.00 O ATOM 1100 CB GLN A 68 -7.367 -10.309 13.977 1.00 0.00 C ATOM 1101 CG GLN A 68 -6.065 -9.802 13.348 1.00 0.00 C ATOM 1102 CD GLN A 68 -5.427 -10.915 12.515 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -5.941 -11.287 11.479 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -4.319 -11.464 12.925 1.00 0.00 N ATOM 0 H GLN A 68 -8.374 -8.206 13.048 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.176 -10.974 12.098 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.655 -9.665 14.808 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.219 -11.309 14.385 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.267 -8.935 12.720 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.376 -9.477 14.127 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.887 -11.152 13.795 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.884 -12.206 12.376 1.00 0.00 H new