USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 387 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.723 K(o=-0.72,f=-4.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.188 (180deg=-1.02) USER MOD Single : A 33 GLN : amide:sc= -9.12! C(o=-9.1!,f=-19!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.35) USER MOD Single : A 47 HIS : no HD1:sc= 0.00166 X(o=0.0017,f=-0.21) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -118:sc= 0.012 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 9.066 -2.072 -5.137 1.00 0.00 N ATOM 67 CA GLN A 8 9.353 -1.427 -3.861 1.00 0.00 C ATOM 68 C GLN A 8 8.317 -1.813 -2.811 1.00 0.00 C ATOM 69 O GLN A 8 7.117 -1.621 -3.009 1.00 0.00 O ATOM 70 CB GLN A 8 9.385 0.093 -4.029 1.00 0.00 C ATOM 71 CG GLN A 8 10.608 0.597 -4.778 1.00 0.00 C ATOM 72 CD GLN A 8 10.343 1.889 -5.526 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.927 1.876 -6.684 1.00 0.00 O ATOM 74 NE2 GLN A 8 10.584 3.016 -4.865 1.00 0.00 N ATOM 0 HA GLN A 8 10.331 -1.768 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.488 0.410 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.354 0.560 -3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.424 0.751 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.937 -0.166 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.928 2.981 -3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.424 3.916 -5.317 1.00 0.00 H new ATOM 83 N TYR A 9 8.787 -2.357 -1.694 1.00 0.00 N ATOM 84 CA TYR A 9 7.901 -2.772 -0.614 1.00 0.00 C ATOM 85 C TYR A 9 7.976 -1.798 0.558 1.00 0.00 C ATOM 86 O TYR A 9 9.057 -1.345 0.936 1.00 0.00 O ATOM 87 CB TYR A 9 8.262 -4.182 -0.143 1.00 0.00 C ATOM 88 CG TYR A 9 8.454 -5.167 -1.274 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.386 -5.552 -2.075 1.00 0.00 C ATOM 90 CD2 TYR A 9 9.704 -5.713 -1.541 1.00 0.00 C ATOM 91 CE1 TYR A 9 7.557 -6.453 -3.108 1.00 0.00 C ATOM 92 CE2 TYR A 9 9.884 -6.613 -2.573 1.00 0.00 C ATOM 93 CZ TYR A 9 8.808 -6.980 -3.354 1.00 0.00 C ATOM 94 OH TYR A 9 8.982 -7.877 -4.383 1.00 0.00 O ATOM 0 H TYR A 9 9.777 -2.521 -1.513 1.00 0.00 H new ATOM 0 HA TYR A 9 6.880 -2.774 -0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.177 -4.136 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.476 -4.548 0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.406 -5.140 -1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.549 -5.429 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.716 -6.743 -3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.862 -7.027 -2.767 1.00 0.00 H new ATOM 0 HH TYR A 9 9.922 -8.151 -4.422 1.00 0.00 H new ATOM 104 N PHE A 10 6.819 -1.479 1.129 1.00 0.00 N ATOM 105 CA PHE A 10 6.752 -0.558 2.258 1.00 0.00 C ATOM 106 C PHE A 10 6.047 -1.205 3.446 1.00 0.00 C ATOM 107 O PHE A 10 5.293 -2.166 3.288 1.00 0.00 O ATOM 108 CB PHE A 10 6.022 0.724 1.854 1.00 0.00 C ATOM 109 CG PHE A 10 6.864 1.661 1.035 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.252 1.320 -0.251 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.267 2.882 1.551 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.026 2.179 -1.007 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.041 3.745 0.799 1.00 0.00 C ATOM 114 CZ PHE A 10 8.422 3.393 -0.481 1.00 0.00 C ATOM 0 H PHE A 10 5.915 -1.844 0.829 1.00 0.00 H new ATOM 0 HA PHE A 10 7.771 -0.310 2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.129 0.461 1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.687 1.241 2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.946 0.372 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.973 3.162 2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.321 1.902 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.348 4.695 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.028 4.066 -1.069 1.00 0.00 H new ATOM 124 N VAL A 11 6.299 -0.673 4.638 1.00 0.00 N ATOM 125 CA VAL A 11 5.689 -1.197 5.854 1.00 0.00 C ATOM 126 C VAL A 11 4.777 -0.161 6.502 1.00 0.00 C ATOM 127 O VAL A 11 5.141 1.008 6.630 1.00 0.00 O ATOM 128 CB VAL A 11 6.757 -1.634 6.874 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.520 -0.427 7.398 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.117 -2.408 8.016 1.00 0.00 C ATOM 0 H VAL A 11 6.922 0.121 4.787 1.00 0.00 H new ATOM 0 HA VAL A 11 5.098 -2.065 5.563 1.00 0.00 H new ATOM 0 HB VAL A 11 7.466 -2.292 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.270 -0.755 8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.011 0.081 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.826 0.259 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.886 -2.709 8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.385 -1.776 8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.621 -3.295 7.621 1.00 0.00 H new ATOM 140 N ALA A 12 3.590 -0.598 6.910 1.00 0.00 N ATOM 141 CA ALA A 12 2.627 0.291 7.547 1.00 0.00 C ATOM 142 C ALA A 12 3.030 0.598 8.985 1.00 0.00 C ATOM 143 O ALA A 12 2.983 -0.274 9.854 1.00 0.00 O ATOM 144 CB ALA A 12 1.235 -0.324 7.507 1.00 0.00 C ATOM 0 H ALA A 12 3.273 -1.562 6.811 1.00 0.00 H new ATOM 0 HA ALA A 12 2.615 1.230 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.525 0.350 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.939 -0.486 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.243 -1.277 8.035 1.00 0.00 H new ATOM 150 N LEU A 13 3.428 1.842 9.230 1.00 0.00 N ATOM 151 CA LEU A 13 3.841 2.264 10.564 1.00 0.00 C ATOM 152 C LEU A 13 2.642 2.358 11.501 1.00 0.00 C ATOM 153 O LEU A 13 2.788 2.292 12.722 1.00 0.00 O ATOM 154 CB LEU A 13 4.556 3.615 10.494 1.00 0.00 C ATOM 155 CG LEU A 13 5.725 3.706 9.513 1.00 0.00 C ATOM 156 CD1 LEU A 13 5.889 5.132 9.009 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.009 3.217 10.166 1.00 0.00 C ATOM 0 H LEU A 13 3.473 2.576 8.523 1.00 0.00 H new ATOM 0 HA LEU A 13 4.529 1.516 10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.824 4.377 10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.924 3.861 11.490 1.00 0.00 H new ATOM 0 HG LEU A 13 5.509 3.064 8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.726 5.178 8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.977 5.446 8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.082 5.796 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.830 3.289 9.453 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.231 3.832 11.038 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.887 2.179 10.476 1.00 0.00 H new ATOM 169 N PHE A 14 1.456 2.511 10.922 1.00 0.00 N ATOM 170 CA PHE A 14 0.230 2.613 11.706 1.00 0.00 C ATOM 171 C PHE A 14 -0.958 2.045 10.934 1.00 0.00 C ATOM 172 O PHE A 14 -0.832 1.670 9.768 1.00 0.00 O ATOM 173 CB PHE A 14 -0.041 4.071 12.080 1.00 0.00 C ATOM 174 CG PHE A 14 1.208 4.877 12.295 1.00 0.00 C ATOM 175 CD1 PHE A 14 1.813 5.537 11.238 1.00 0.00 C ATOM 176 CD2 PHE A 14 1.776 4.976 13.555 1.00 0.00 C ATOM 177 CE1 PHE A 14 2.962 6.279 11.433 1.00 0.00 C ATOM 178 CE2 PHE A 14 2.926 5.716 13.756 1.00 0.00 C ATOM 179 CZ PHE A 14 3.519 6.370 12.694 1.00 0.00 C ATOM 0 H PHE A 14 1.317 2.567 9.913 1.00 0.00 H new ATOM 0 HA PHE A 14 0.361 2.030 12.617 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.633 4.536 11.291 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.643 4.099 12.988 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.382 5.471 10.250 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.315 4.469 14.390 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.425 6.788 10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.360 5.783 14.743 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.416 6.951 12.849 1.00 0.00 H new ATOM 189 N ASP A 15 -2.109 1.983 11.594 1.00 0.00 N ATOM 190 CA ASP A 15 -3.320 1.461 10.971 1.00 0.00 C ATOM 191 C ASP A 15 -4.136 2.587 10.343 1.00 0.00 C ATOM 192 O ASP A 15 -4.312 3.649 10.941 1.00 0.00 O ATOM 193 CB ASP A 15 -4.168 0.714 12.002 1.00 0.00 C ATOM 194 CG ASP A 15 -4.272 1.461 13.317 1.00 0.00 C ATOM 195 OD1 ASP A 15 -5.076 2.413 13.396 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.548 1.094 14.267 1.00 0.00 O ATOM 0 H ASP A 15 -2.229 2.288 12.560 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.025 0.767 10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.168 0.554 11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.735 -0.270 12.180 1.00 0.00 H new ATOM 201 N TYR A 16 -4.631 2.347 9.134 1.00 0.00 N ATOM 202 CA TYR A 16 -5.426 3.342 8.423 1.00 0.00 C ATOM 203 C TYR A 16 -6.753 2.748 7.958 1.00 0.00 C ATOM 204 O TYR A 16 -6.867 1.540 7.757 1.00 0.00 O ATOM 205 CB TYR A 16 -4.648 3.882 7.221 1.00 0.00 C ATOM 206 CG TYR A 16 -5.499 4.679 6.258 1.00 0.00 C ATOM 207 CD1 TYR A 16 -5.899 5.975 6.562 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.902 4.137 5.044 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.676 6.706 5.686 1.00 0.00 C ATOM 210 CE2 TYR A 16 -6.678 4.862 4.161 1.00 0.00 C ATOM 211 CZ TYR A 16 -7.063 6.146 4.486 1.00 0.00 C ATOM 212 OH TYR A 16 -7.837 6.872 3.610 1.00 0.00 O ATOM 0 H TYR A 16 -4.496 1.473 8.626 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.636 4.161 9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.833 4.511 7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.195 3.047 6.687 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.597 6.418 7.500 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.603 3.132 4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.979 7.711 5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.982 4.426 3.221 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.021 6.333 2.812 1.00 0.00 H new ATOM 222 N GLN A 17 -7.752 3.609 7.791 1.00 0.00 N ATOM 223 CA GLN A 17 -9.071 3.171 7.351 1.00 0.00 C ATOM 224 C GLN A 17 -9.510 3.932 6.104 1.00 0.00 C ATOM 225 O GLN A 17 -9.828 5.119 6.170 1.00 0.00 O ATOM 226 CB GLN A 17 -10.096 3.366 8.469 1.00 0.00 C ATOM 227 CG GLN A 17 -9.865 2.463 9.670 1.00 0.00 C ATOM 228 CD GLN A 17 -8.914 3.071 10.682 1.00 0.00 C ATOM 229 OE1 GLN A 17 -8.259 4.077 10.410 1.00 0.00 O ATOM 230 NE2 GLN A 17 -8.833 2.462 11.860 1.00 0.00 N ATOM 0 H GLN A 17 -7.673 4.613 7.954 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.010 2.111 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.071 4.405 8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.094 3.181 8.072 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.820 2.256 10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.466 1.507 9.330 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.394 1.630 12.044 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.210 2.826 12.581 1.00 0.00 H new ATOM 312 N ASP A 23 -9.558 4.198 -2.126 1.00 0.00 N ATOM 313 CA ASP A 23 -8.468 4.062 -1.166 1.00 0.00 C ATOM 314 C ASP A 23 -8.373 2.629 -0.652 1.00 0.00 C ATOM 315 O ASP A 23 -9.292 1.829 -0.835 1.00 0.00 O ATOM 316 CB ASP A 23 -8.668 5.025 0.005 1.00 0.00 C ATOM 317 CG ASP A 23 -8.309 6.454 -0.352 1.00 0.00 C ATOM 318 OD1 ASP A 23 -7.170 6.681 -0.810 1.00 0.00 O ATOM 319 OD2 ASP A 23 -9.166 7.344 -0.173 1.00 0.00 O ATOM 0 HA ASP A 23 -7.536 4.309 -1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.707 4.985 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.057 4.700 0.847 1.00 0.00 H new ATOM 324 N LEU A 24 -7.255 2.310 -0.008 1.00 0.00 N ATOM 325 CA LEU A 24 -7.038 0.972 0.532 1.00 0.00 C ATOM 326 C LEU A 24 -6.902 1.014 2.051 1.00 0.00 C ATOM 327 O LEU A 24 -6.571 2.051 2.626 1.00 0.00 O ATOM 328 CB LEU A 24 -5.787 0.348 -0.086 1.00 0.00 C ATOM 329 CG LEU A 24 -5.669 -1.173 0.027 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.755 -1.854 -0.792 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.291 -1.636 -0.421 1.00 0.00 C ATOM 0 H LEU A 24 -6.485 2.959 0.153 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.904 0.360 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.755 0.617 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.912 0.796 0.384 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.801 -1.452 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.656 -2.936 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.734 -1.547 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.654 -1.568 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.225 -2.721 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.129 -1.345 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.530 -1.175 0.208 1.00 0.00 H new ATOM 343 N SER A 25 -7.158 -0.120 2.694 1.00 0.00 N ATOM 344 CA SER A 25 -7.066 -0.213 4.147 1.00 0.00 C ATOM 345 C SER A 25 -5.954 -1.173 4.560 1.00 0.00 C ATOM 346 O SER A 25 -5.726 -2.194 3.910 1.00 0.00 O ATOM 347 CB SER A 25 -8.400 -0.676 4.735 1.00 0.00 C ATOM 348 OG SER A 25 -8.531 -2.085 4.657 1.00 0.00 O ATOM 0 H SER A 25 -7.431 -0.988 2.232 1.00 0.00 H new ATOM 0 HA SER A 25 -6.830 0.778 4.536 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.472 -0.358 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.222 -0.201 4.199 1.00 0.00 H new ATOM 0 HG SER A 25 -9.391 -2.355 5.041 1.00 0.00 H new ATOM 354 N PHE A 26 -5.265 -0.838 5.646 1.00 0.00 N ATOM 355 CA PHE A 26 -4.176 -1.669 6.147 1.00 0.00 C ATOM 356 C PHE A 26 -3.951 -1.430 7.637 1.00 0.00 C ATOM 357 O PHE A 26 -4.448 -0.456 8.202 1.00 0.00 O ATOM 358 CB PHE A 26 -2.888 -1.380 5.373 1.00 0.00 C ATOM 359 CG PHE A 26 -2.512 0.074 5.356 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.093 0.944 4.447 1.00 0.00 C ATOM 361 CD2 PHE A 26 -1.577 0.572 6.250 1.00 0.00 C ATOM 362 CE1 PHE A 26 -2.749 2.282 4.430 1.00 0.00 C ATOM 363 CE2 PHE A 26 -1.230 1.909 6.237 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.816 2.766 5.325 1.00 0.00 C ATOM 0 H PHE A 26 -5.441 0.003 6.196 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.453 -2.713 6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.072 -1.953 5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.004 -1.729 4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.823 0.572 3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.115 -0.093 6.965 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.210 2.949 3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.501 2.285 6.940 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.545 3.811 5.312 1.00 0.00 H new ATOM 374 N ARG A 27 -3.201 -2.328 8.267 1.00 0.00 N ATOM 375 CA ARG A 27 -2.911 -2.217 9.692 1.00 0.00 C ATOM 376 C ARG A 27 -1.408 -2.117 9.935 1.00 0.00 C ATOM 377 O ARG A 27 -0.605 -2.514 9.091 1.00 0.00 O ATOM 378 CB ARG A 27 -3.481 -3.420 10.445 1.00 0.00 C ATOM 379 CG ARG A 27 -4.981 -3.596 10.266 1.00 0.00 C ATOM 380 CD ARG A 27 -5.595 -4.358 11.430 1.00 0.00 C ATOM 381 NE ARG A 27 -5.336 -5.793 11.342 1.00 0.00 N ATOM 382 CZ ARG A 27 -6.016 -6.705 12.027 1.00 0.00 C ATOM 383 NH1 ARG A 27 -6.990 -6.334 12.846 1.00 0.00 N ATOM 384 NH2 ARG A 27 -5.722 -7.992 11.893 1.00 0.00 N ATOM 0 H ARG A 27 -2.783 -3.140 7.814 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.383 -1.307 10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.975 -4.324 10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.261 -3.311 11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.455 -2.619 10.179 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.177 -4.130 9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.193 -3.974 12.367 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.671 -4.184 11.450 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.593 -6.112 10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.219 -5.346 12.951 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.511 -7.037 13.371 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.973 -8.281 11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.245 -8.692 12.419 1.00 0.00 H new ATOM 398 N ALA A 28 -1.036 -1.583 11.094 1.00 0.00 N ATOM 399 CA ALA A 28 0.370 -1.432 11.449 1.00 0.00 C ATOM 400 C ALA A 28 1.124 -2.746 11.276 1.00 0.00 C ATOM 401 O ALA A 28 0.857 -3.722 11.975 1.00 0.00 O ATOM 402 CB ALA A 28 0.502 -0.929 12.879 1.00 0.00 C ATOM 0 H ALA A 28 -1.688 -1.248 11.803 1.00 0.00 H new ATOM 0 HA ALA A 28 0.813 -0.698 10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.557 -0.821 13.131 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.006 0.037 12.972 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.038 -1.642 13.560 1.00 0.00 H new ATOM 408 N GLY A 29 2.067 -2.763 10.339 1.00 0.00 N ATOM 409 CA GLY A 29 2.845 -3.963 10.091 1.00 0.00 C ATOM 410 C GLY A 29 2.398 -4.695 8.841 1.00 0.00 C ATOM 411 O GLY A 29 2.949 -5.741 8.496 1.00 0.00 O ATOM 0 H GLY A 29 2.306 -1.967 9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.898 -3.697 9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.761 -4.630 10.949 1.00 0.00 H new ATOM 415 N ASP A 30 1.397 -4.147 8.162 1.00 0.00 N ATOM 416 CA ASP A 30 0.876 -4.755 6.943 1.00 0.00 C ATOM 417 C ASP A 30 1.774 -4.437 5.751 1.00 0.00 C ATOM 418 O ASP A 30 1.835 -3.296 5.292 1.00 0.00 O ATOM 419 CB ASP A 30 -0.547 -4.264 6.671 1.00 0.00 C ATOM 420 CG ASP A 30 -1.579 -4.990 7.511 1.00 0.00 C ATOM 421 OD1 ASP A 30 -1.241 -5.406 8.638 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.726 -5.142 7.040 1.00 0.00 O ATOM 0 H ASP A 30 0.930 -3.282 8.435 1.00 0.00 H new ATOM 0 HA ASP A 30 0.858 -5.836 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.604 -3.195 6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.780 -4.401 5.615 1.00 0.00 H new ATOM 427 N LYS A 31 2.470 -5.454 5.254 1.00 0.00 N ATOM 428 CA LYS A 31 3.365 -5.285 4.115 1.00 0.00 C ATOM 429 C LYS A 31 2.586 -4.887 2.866 1.00 0.00 C ATOM 430 O LYS A 31 1.706 -5.620 2.411 1.00 0.00 O ATOM 431 CB LYS A 31 4.143 -6.577 3.855 1.00 0.00 C ATOM 432 CG LYS A 31 4.962 -7.044 5.046 1.00 0.00 C ATOM 433 CD LYS A 31 6.335 -6.393 5.068 1.00 0.00 C ATOM 434 CE LYS A 31 7.354 -7.214 4.294 1.00 0.00 C ATOM 435 NZ LYS A 31 7.338 -6.891 2.840 1.00 0.00 N ATOM 0 H LYS A 31 2.431 -6.404 5.622 1.00 0.00 H new ATOM 0 HA LYS A 31 4.068 -4.487 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.442 -7.364 3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.808 -6.426 3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.432 -6.808 5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.073 -8.128 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.271 -5.393 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.667 -6.277 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.350 -7.029 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.146 -8.275 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.270 -7.100 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.613 -7.465 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.120 -5.882 2.711 1.00 0.00 H new ATOM 449 N LEU A 32 2.916 -3.725 2.313 1.00 0.00 N ATOM 450 CA LEU A 32 2.248 -3.231 1.114 1.00 0.00 C ATOM 451 C LEU A 32 3.265 -2.810 0.059 1.00 0.00 C ATOM 452 O LEU A 32 4.257 -2.151 0.368 1.00 0.00 O ATOM 453 CB LEU A 32 1.339 -2.051 1.462 1.00 0.00 C ATOM 454 CG LEU A 32 0.167 -2.358 2.395 1.00 0.00 C ATOM 455 CD1 LEU A 32 -0.193 -1.134 3.222 1.00 0.00 C ATOM 456 CD2 LEU A 32 -1.037 -2.838 1.597 1.00 0.00 C ATOM 0 H LEU A 32 3.642 -3.107 2.676 1.00 0.00 H new ATOM 0 HA LEU A 32 1.642 -4.040 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.948 -1.272 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.941 -1.639 0.535 1.00 0.00 H new ATOM 0 HG LEU A 32 0.468 -3.154 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.029 -1.372 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.666 -0.834 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.475 -0.317 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.862 -3.052 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.339 -2.063 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.773 -3.743 1.050 1.00 0.00 H new ATOM 468 N GLN A 33 3.010 -3.194 -1.188 1.00 0.00 N ATOM 469 CA GLN A 33 3.903 -2.855 -2.289 1.00 0.00 C ATOM 470 C GLN A 33 3.432 -1.592 -3.003 1.00 0.00 C ATOM 471 O GLN A 33 2.245 -1.432 -3.285 1.00 0.00 O ATOM 472 CB GLN A 33 3.985 -4.015 -3.283 1.00 0.00 C ATOM 473 CG GLN A 33 5.006 -3.798 -4.388 1.00 0.00 C ATOM 474 CD GLN A 33 4.621 -2.670 -5.325 1.00 0.00 C ATOM 475 OE1 GLN A 33 3.447 -2.322 -5.446 1.00 0.00 O ATOM 476 NE2 GLN A 33 5.612 -2.092 -5.995 1.00 0.00 N ATOM 0 H GLN A 33 2.193 -3.740 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 33 4.894 -2.669 -1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.235 -4.928 -2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.003 -4.168 -3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.977 -3.580 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.117 -4.719 -4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.571 -2.413 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.413 -1.328 -6.640 1.00 0.00 H new ATOM 485 N VAL A 34 4.371 -0.696 -3.291 1.00 0.00 N ATOM 486 CA VAL A 34 4.053 0.553 -3.972 1.00 0.00 C ATOM 487 C VAL A 34 4.220 0.414 -5.481 1.00 0.00 C ATOM 488 O VAL A 34 5.339 0.344 -5.989 1.00 0.00 O ATOM 489 CB VAL A 34 4.943 1.707 -3.473 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.635 2.987 -4.235 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.760 1.911 -1.976 1.00 0.00 C ATOM 0 H VAL A 34 5.358 -0.812 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 34 3.012 0.782 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 34 5.985 1.445 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.273 3.791 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.821 2.831 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.590 3.257 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.396 2.730 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.718 2.151 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.035 0.998 -1.448 1.00 0.00 H new ATOM 501 N LEU A 35 3.099 0.376 -6.193 1.00 0.00 N ATOM 502 CA LEU A 35 3.119 0.246 -7.646 1.00 0.00 C ATOM 503 C LEU A 35 3.356 1.599 -8.310 1.00 0.00 C ATOM 504 O LEU A 35 4.334 1.783 -9.035 1.00 0.00 O ATOM 505 CB LEU A 35 1.804 -0.355 -8.143 1.00 0.00 C ATOM 506 CG LEU A 35 1.370 -1.663 -7.478 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.132 -1.858 -7.615 1.00 0.00 C ATOM 508 CD2 LEU A 35 2.120 -2.842 -8.080 1.00 0.00 C ATOM 0 H LEU A 35 2.165 0.433 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 35 3.939 -0.419 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.014 0.382 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.889 -0.527 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 35 1.613 -1.607 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.423 -2.793 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.652 -1.028 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.400 -1.893 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.799 -3.764 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.908 -2.901 -9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.191 -2.707 -7.929 1.00 0.00 H new ATOM 520 N ASP A 36 2.456 2.542 -8.056 1.00 0.00 N ATOM 521 CA ASP A 36 2.568 3.879 -8.627 1.00 0.00 C ATOM 522 C ASP A 36 2.885 4.907 -7.545 1.00 0.00 C ATOM 523 O ASP A 36 2.397 4.809 -6.418 1.00 0.00 O ATOM 524 CB ASP A 36 1.274 4.260 -9.347 1.00 0.00 C ATOM 525 CG ASP A 36 1.513 5.205 -10.508 1.00 0.00 C ATOM 526 OD1 ASP A 36 2.659 5.259 -11.003 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.555 5.890 -10.923 1.00 0.00 O ATOM 0 H ASP A 36 1.641 2.405 -7.458 1.00 0.00 H new ATOM 0 HA ASP A 36 3.386 3.872 -9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.786 3.357 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.591 4.727 -8.637 1.00 0.00 H new ATOM 532 N THR A 37 3.705 5.893 -7.894 1.00 0.00 N ATOM 533 CA THR A 37 4.089 6.938 -6.953 1.00 0.00 C ATOM 534 C THR A 37 3.911 8.322 -7.565 1.00 0.00 C ATOM 535 O THR A 37 4.520 9.293 -7.117 1.00 0.00 O ATOM 536 CB THR A 37 5.551 6.774 -6.498 1.00 0.00 C ATOM 537 OG1 THR A 37 6.399 6.575 -7.635 1.00 0.00 O ATOM 538 CG2 THR A 37 5.692 5.600 -5.541 1.00 0.00 C ATOM 0 H THR A 37 4.116 5.990 -8.822 1.00 0.00 H new ATOM 0 HA THR A 37 3.434 6.840 -6.087 1.00 0.00 H new ATOM 0 HB THR A 37 5.850 7.684 -5.977 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.327 6.473 -7.337 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.733 5.504 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.069 5.769 -4.663 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.375 4.684 -6.040 1.00 0.00 H new ATOM 546 N SER A 38 3.071 8.406 -8.593 1.00 0.00 N ATOM 547 CA SER A 38 2.815 9.673 -9.269 1.00 0.00 C ATOM 548 C SER A 38 2.487 10.770 -8.261 1.00 0.00 C ATOM 549 O SER A 38 3.192 11.775 -8.168 1.00 0.00 O ATOM 550 CB SER A 38 1.665 9.519 -10.266 1.00 0.00 C ATOM 551 OG SER A 38 1.562 10.657 -11.105 1.00 0.00 O ATOM 0 H SER A 38 2.557 7.612 -8.975 1.00 0.00 H new ATOM 0 HA SER A 38 3.718 9.959 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.823 8.628 -10.874 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.729 9.375 -9.727 1.00 0.00 H new ATOM 0 HG SER A 38 0.821 10.533 -11.734 1.00 0.00 H new ATOM 557 N HIS A 39 1.409 10.570 -7.508 1.00 0.00 N ATOM 558 CA HIS A 39 0.986 11.541 -6.506 1.00 0.00 C ATOM 559 C HIS A 39 1.683 11.286 -5.173 1.00 0.00 C ATOM 560 O HIS A 39 1.187 10.531 -4.338 1.00 0.00 O ATOM 561 CB HIS A 39 -0.531 11.486 -6.320 1.00 0.00 C ATOM 562 CG HIS A 39 -1.090 12.676 -5.603 1.00 0.00 C ATOM 563 ND1 HIS A 39 -0.354 13.813 -5.343 1.00 0.00 N ATOM 564 CD2 HIS A 39 -2.323 12.903 -5.092 1.00 0.00 C ATOM 565 CE1 HIS A 39 -1.109 14.687 -4.702 1.00 0.00 C ATOM 566 NE2 HIS A 39 -2.308 14.159 -4.537 1.00 0.00 N ATOM 0 H HIS A 39 0.813 9.745 -7.573 1.00 0.00 H new ATOM 0 HA HIS A 39 1.266 12.534 -6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.006 11.405 -7.298 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.788 10.584 -5.765 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.162 12.223 -5.116 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.799 15.667 -4.370 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.096 14.611 -4.072 1.00 0.00 H new ATOM 575 N GLU A 40 2.836 11.920 -4.983 1.00 0.00 N ATOM 576 CA GLU A 40 3.601 11.759 -3.752 1.00 0.00 C ATOM 577 C GLU A 40 2.673 11.581 -2.554 1.00 0.00 C ATOM 578 O GLU A 40 2.927 10.757 -1.676 1.00 0.00 O ATOM 579 CB GLU A 40 4.513 12.968 -3.530 1.00 0.00 C ATOM 580 CG GLU A 40 5.393 12.848 -2.297 1.00 0.00 C ATOM 581 CD GLU A 40 6.724 12.185 -2.594 1.00 0.00 C ATOM 582 OE1 GLU A 40 6.771 10.937 -2.618 1.00 0.00 O ATOM 583 OE2 GLU A 40 7.718 12.912 -2.800 1.00 0.00 O ATOM 0 H GLU A 40 3.260 12.549 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 40 4.215 10.864 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.147 13.100 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.899 13.864 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.570 13.841 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.867 12.274 -1.534 1.00 0.00 H new ATOM 590 N GLY A 41 1.597 12.360 -2.525 1.00 0.00 N ATOM 591 CA GLY A 41 0.647 12.275 -1.431 1.00 0.00 C ATOM 592 C GLY A 41 -0.012 10.912 -1.341 1.00 0.00 C ATOM 593 O GLY A 41 -0.024 10.291 -0.278 1.00 0.00 O ATOM 0 H GLY A 41 1.366 13.049 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.158 12.491 -0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.120 13.039 -1.560 1.00 0.00 H new ATOM 597 N TRP A 42 -0.562 10.448 -2.457 1.00 0.00 N ATOM 598 CA TRP A 42 -1.227 9.151 -2.499 1.00 0.00 C ATOM 599 C TRP A 42 -0.483 8.186 -3.415 1.00 0.00 C ATOM 600 O TRP A 42 -0.128 8.535 -4.541 1.00 0.00 O ATOM 601 CB TRP A 42 -2.673 9.312 -2.973 1.00 0.00 C ATOM 602 CG TRP A 42 -3.510 10.147 -2.053 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.716 11.495 -2.129 1.00 0.00 C ATOM 604 CD2 TRP A 42 -4.253 9.689 -0.918 1.00 0.00 C ATOM 605 NE1 TRP A 42 -4.542 11.903 -1.110 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.886 10.814 -0.353 1.00 0.00 C ATOM 607 CE3 TRP A 42 -4.446 8.439 -0.324 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -5.695 10.723 0.776 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -5.250 8.351 0.796 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.867 9.487 1.337 1.00 0.00 C ATOM 0 H TRP A 42 -0.561 10.950 -3.345 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.226 8.737 -1.491 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.674 9.764 -3.965 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.127 8.326 -3.072 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.292 12.145 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -4.849 12.861 -0.944 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.975 7.557 -0.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.170 11.598 1.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.406 7.390 1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.490 9.385 2.213 1.00 0.00 H new ATOM 621 N TRP A 43 -0.250 6.974 -2.925 1.00 0.00 N ATOM 622 CA TRP A 43 0.453 5.959 -3.702 1.00 0.00 C ATOM 623 C TRP A 43 -0.462 4.779 -4.011 1.00 0.00 C ATOM 624 O TRP A 43 -1.326 4.424 -3.208 1.00 0.00 O ATOM 625 CB TRP A 43 1.691 5.474 -2.945 1.00 0.00 C ATOM 626 CG TRP A 43 2.829 6.449 -2.982 1.00 0.00 C ATOM 627 CD1 TRP A 43 2.951 7.535 -3.801 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.006 6.424 -2.167 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.133 8.187 -3.544 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.798 7.525 -2.545 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.467 5.579 -1.154 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.024 7.801 -1.946 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.684 5.854 -0.560 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.451 6.958 -0.956 1.00 0.00 C ATOM 0 H TRP A 43 -0.537 6.670 -1.995 1.00 0.00 H new ATOM 0 HA TRP A 43 0.765 6.410 -4.644 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.421 5.281 -1.907 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.020 4.526 -3.370 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.225 7.837 -4.542 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.462 9.027 -4.020 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.883 4.726 -0.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.617 8.650 -2.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.050 5.207 0.223 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.397 7.147 -0.471 1.00 0.00 H new ATOM 645 N LEU A 44 -0.269 4.176 -5.179 1.00 0.00 N ATOM 646 CA LEU A 44 -1.078 3.035 -5.594 1.00 0.00 C ATOM 647 C LEU A 44 -0.397 1.722 -5.224 1.00 0.00 C ATOM 648 O LEU A 44 0.455 1.224 -5.960 1.00 0.00 O ATOM 649 CB LEU A 44 -1.330 3.086 -7.102 1.00 0.00 C ATOM 650 CG LEU A 44 -2.071 1.889 -7.699 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.542 1.926 -7.315 1.00 0.00 C ATOM 652 CD2 LEU A 44 -1.913 1.865 -9.213 1.00 0.00 C ATOM 0 H LEU A 44 0.440 4.458 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.033 3.087 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.899 3.988 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.369 3.182 -7.608 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.634 0.976 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.053 1.067 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.636 1.894 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.993 2.844 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.447 1.007 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.323 2.782 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.856 1.789 -9.467 1.00 0.00 H new ATOM 664 N ALA A 45 -0.781 1.164 -4.081 1.00 0.00 N ATOM 665 CA ALA A 45 -0.210 -0.095 -3.616 1.00 0.00 C ATOM 666 C ALA A 45 -1.264 -1.197 -3.584 1.00 0.00 C ATOM 667 O ALA A 45 -2.451 -0.939 -3.781 1.00 0.00 O ATOM 668 CB ALA A 45 0.410 0.084 -2.238 1.00 0.00 C ATOM 0 H ALA A 45 -1.485 1.563 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 45 0.569 -0.393 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.832 -0.863 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.198 0.835 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.356 0.409 -1.534 1.00 0.00 H new ATOM 674 N ARG A 46 -0.822 -2.425 -3.335 1.00 0.00 N ATOM 675 CA ARG A 46 -1.727 -3.566 -3.280 1.00 0.00 C ATOM 676 C ARG A 46 -1.362 -4.495 -2.126 1.00 0.00 C ATOM 677 O ARG A 46 -0.200 -4.578 -1.726 1.00 0.00 O ATOM 678 CB ARG A 46 -1.690 -4.338 -4.600 1.00 0.00 C ATOM 679 CG ARG A 46 -0.412 -5.135 -4.804 1.00 0.00 C ATOM 680 CD ARG A 46 -0.412 -5.855 -6.144 1.00 0.00 C ATOM 681 NE ARG A 46 -1.193 -7.088 -6.103 1.00 0.00 N ATOM 682 CZ ARG A 46 -1.431 -7.843 -7.170 1.00 0.00 C ATOM 683 NH1 ARG A 46 -0.950 -7.493 -8.354 1.00 0.00 N ATOM 684 NH2 ARG A 46 -2.150 -8.952 -7.052 1.00 0.00 N ATOM 0 H ARG A 46 0.158 -2.655 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.736 -3.189 -3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.542 -5.017 -4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.806 -3.635 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.447 -4.467 -4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.303 -5.862 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.818 -5.194 -6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.614 -6.085 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.577 -7.386 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.395 -6.642 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.134 -8.075 -9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.520 -9.225 -6.142 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.332 -9.531 -7.872 1.00 0.00 H new ATOM 698 N HIS A 47 -2.361 -5.190 -1.593 1.00 0.00 N ATOM 699 CA HIS A 47 -2.145 -6.113 -0.484 1.00 0.00 C ATOM 700 C HIS A 47 -1.181 -7.226 -0.884 1.00 0.00 C ATOM 701 O HIS A 47 -1.332 -7.843 -1.939 1.00 0.00 O ATOM 702 CB HIS A 47 -3.475 -6.714 -0.026 1.00 0.00 C ATOM 703 CG HIS A 47 -4.158 -5.914 1.039 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.657 -5.779 2.317 1.00 0.00 N ATOM 705 CD2 HIS A 47 -5.309 -5.203 1.011 1.00 0.00 C ATOM 706 CE1 HIS A 47 -4.471 -5.021 3.029 1.00 0.00 C ATOM 707 NE2 HIS A 47 -5.482 -4.658 2.260 1.00 0.00 N ATOM 0 H HIS A 47 -3.328 -5.132 -1.911 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.705 -5.554 0.341 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.140 -6.802 -0.885 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.299 -7.723 0.346 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.969 -5.086 0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.334 -4.745 4.064 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.264 -4.069 2.547 1.00 0.00 H new ATOM 716 N LEU A 48 -0.191 -7.477 -0.035 1.00 0.00 N ATOM 717 CA LEU A 48 0.799 -8.516 -0.299 1.00 0.00 C ATOM 718 C LEU A 48 0.514 -9.763 0.530 1.00 0.00 C ATOM 719 O LEU A 48 0.753 -10.885 0.084 1.00 0.00 O ATOM 720 CB LEU A 48 2.206 -7.997 0.005 1.00 0.00 C ATOM 721 CG LEU A 48 2.720 -6.880 -0.903 1.00 0.00 C ATOM 722 CD1 LEU A 48 3.979 -6.255 -0.321 1.00 0.00 C ATOM 723 CD2 LEU A 48 2.986 -7.412 -2.304 1.00 0.00 C ATOM 0 H LEU A 48 -0.052 -6.976 0.842 1.00 0.00 H new ATOM 0 HA LEU A 48 0.737 -8.782 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.225 -7.639 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.901 -8.835 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 48 1.953 -6.109 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.330 -5.462 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.757 -5.838 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.753 -7.017 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.351 -6.603 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.735 -8.203 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.062 -7.812 -2.723 1.00 0.00 H new ATOM 735 N GLU A 49 0.001 -9.559 1.739 1.00 0.00 N ATOM 736 CA GLU A 49 -0.318 -10.669 2.630 1.00 0.00 C ATOM 737 C GLU A 49 -1.453 -11.515 2.061 1.00 0.00 C ATOM 738 O GLU A 49 -2.601 -11.075 2.000 1.00 0.00 O ATOM 739 CB GLU A 49 -0.703 -10.145 4.016 1.00 0.00 C ATOM 740 CG GLU A 49 0.464 -9.556 4.790 1.00 0.00 C ATOM 741 CD GLU A 49 1.432 -10.616 5.280 1.00 0.00 C ATOM 742 OE1 GLU A 49 2.080 -11.264 4.432 1.00 0.00 O ATOM 743 OE2 GLU A 49 1.543 -10.796 6.511 1.00 0.00 O ATOM 0 H GLU A 49 -0.203 -8.637 2.124 1.00 0.00 H new ATOM 0 HA GLU A 49 0.569 -11.296 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.476 -9.384 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.138 -10.960 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.997 -8.848 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.083 -8.994 5.643 1.00 0.00 H new ATOM 882 N LEU A 59 -8.085 -4.721 -3.659 1.00 0.00 N ATOM 883 CA LEU A 59 -6.832 -5.185 -3.072 1.00 0.00 C ATOM 884 C LEU A 59 -5.735 -4.137 -3.233 1.00 0.00 C ATOM 885 O LEU A 59 -4.715 -4.184 -2.547 1.00 0.00 O ATOM 886 CB LEU A 59 -6.398 -6.499 -3.723 1.00 0.00 C ATOM 887 CG LEU A 59 -6.265 -6.482 -5.246 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.238 -7.507 -5.703 1.00 0.00 C ATOM 889 CD2 LEU A 59 -7.612 -6.745 -5.902 1.00 0.00 C ATOM 0 HA LEU A 59 -6.997 -5.351 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.438 -6.792 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.117 -7.271 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.922 -5.493 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.157 -7.481 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.269 -7.274 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.551 -8.502 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.498 -6.729 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.984 -7.721 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.320 -5.973 -5.600 1.00 0.00 H new ATOM 901 N GLN A 60 -5.954 -3.193 -4.142 1.00 0.00 N ATOM 902 CA GLN A 60 -4.984 -2.133 -4.391 1.00 0.00 C ATOM 903 C GLN A 60 -5.683 -0.793 -4.596 1.00 0.00 C ATOM 904 O GLN A 60 -6.623 -0.685 -5.383 1.00 0.00 O ATOM 905 CB GLN A 60 -4.132 -2.470 -5.616 1.00 0.00 C ATOM 906 CG GLN A 60 -4.867 -2.294 -6.935 1.00 0.00 C ATOM 907 CD GLN A 60 -4.073 -2.811 -8.119 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.979 -4.019 -8.338 1.00 0.00 O ATOM 909 NE2 GLN A 60 -3.496 -1.897 -8.890 1.00 0.00 N ATOM 0 H GLN A 60 -6.794 -3.140 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.337 -2.055 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.245 -1.837 -5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.788 -3.501 -5.536 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.822 -2.817 -6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.089 -1.237 -7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.600 -0.906 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.949 -2.186 -9.701 1.00 0.00 H new ATOM 918 N GLY A 61 -5.217 0.228 -3.883 1.00 0.00 N ATOM 919 CA GLY A 61 -5.809 1.547 -4.001 1.00 0.00 C ATOM 920 C GLY A 61 -4.838 2.653 -3.638 1.00 0.00 C ATOM 921 O GLY A 61 -3.628 2.432 -3.579 1.00 0.00 O ATOM 0 H GLY A 61 -4.440 0.165 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.158 1.695 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.684 1.609 -3.353 1.00 0.00 H new ATOM 925 N TYR A 62 -5.367 3.847 -3.396 1.00 0.00 N ATOM 926 CA TYR A 62 -4.538 4.993 -3.041 1.00 0.00 C ATOM 927 C TYR A 62 -4.347 5.080 -1.530 1.00 0.00 C ATOM 928 O TYR A 62 -5.313 5.038 -0.768 1.00 0.00 O ATOM 929 CB TYR A 62 -5.168 6.286 -3.562 1.00 0.00 C ATOM 930 CG TYR A 62 -4.982 6.494 -5.048 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.714 6.648 -5.594 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.074 6.537 -5.905 1.00 0.00 C ATOM 933 CE1 TYR A 62 -3.539 6.840 -6.951 1.00 0.00 C ATOM 934 CE2 TYR A 62 -5.909 6.727 -7.264 1.00 0.00 C ATOM 935 CZ TYR A 62 -4.639 6.878 -7.782 1.00 0.00 C ATOM 936 OH TYR A 62 -4.469 7.067 -9.134 1.00 0.00 O ATOM 0 H TYR A 62 -6.366 4.047 -3.439 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.561 4.860 -3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.234 6.278 -3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.735 7.132 -3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.850 6.617 -4.947 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.069 6.420 -5.503 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.546 6.960 -7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.769 6.757 -7.917 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.343 7.067 -9.577 1.00 0.00 H new ATOM 946 N ILE A 63 -3.094 5.202 -1.105 1.00 0.00 N ATOM 947 CA ILE A 63 -2.775 5.297 0.314 1.00 0.00 C ATOM 948 C ILE A 63 -1.696 6.345 0.566 1.00 0.00 C ATOM 949 O ILE A 63 -0.796 6.554 -0.248 1.00 0.00 O ATOM 950 CB ILE A 63 -2.302 3.944 0.877 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.996 3.515 0.204 1.00 0.00 C ATOM 952 CG2 ILE A 63 -3.377 2.885 0.682 1.00 0.00 C ATOM 953 CD1 ILE A 63 -0.134 2.624 1.071 1.00 0.00 C ATOM 0 H ILE A 63 -2.283 5.237 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.692 5.593 0.824 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.118 4.056 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.229 2.991 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.427 4.404 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.028 1.934 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.285 3.188 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.589 2.773 -0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.775 2.359 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.130 3.153 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.685 1.717 1.321 1.00 0.00 H new ATOM 965 N PRO A 64 -1.784 7.019 1.723 1.00 0.00 N ATOM 966 CA PRO A 64 -0.822 8.054 2.111 1.00 0.00 C ATOM 967 C PRO A 64 0.551 7.477 2.438 1.00 0.00 C ATOM 968 O PRO A 64 0.675 6.580 3.273 1.00 0.00 O ATOM 969 CB PRO A 64 -1.453 8.675 3.359 1.00 0.00 C ATOM 970 CG PRO A 64 -2.318 7.600 3.921 1.00 0.00 C ATOM 971 CD PRO A 64 -2.829 6.821 2.741 1.00 0.00 C ATOM 0 HA PRO A 64 -0.645 8.768 1.306 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.692 8.985 4.075 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.036 9.562 3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.753 6.958 4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.142 8.023 4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.960 5.766 2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.796 7.193 2.402 1.00 0.00 H new ATOM 979 N SER A 65 1.580 7.997 1.777 1.00 0.00 N ATOM 980 CA SER A 65 2.944 7.530 1.996 1.00 0.00 C ATOM 981 C SER A 65 3.409 7.856 3.412 1.00 0.00 C ATOM 982 O SER A 65 4.322 7.222 3.939 1.00 0.00 O ATOM 983 CB SER A 65 3.893 8.164 0.977 1.00 0.00 C ATOM 984 OG SER A 65 4.025 9.557 1.201 1.00 0.00 O ATOM 0 H SER A 65 1.495 8.742 1.085 1.00 0.00 H new ATOM 0 HA SER A 65 2.956 6.448 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.871 7.688 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.519 7.989 -0.032 1.00 0.00 H new ATOM 0 HG SER A 65 3.698 10.047 0.418 1.00 0.00 H new ATOM 990 N ASN A 66 2.773 8.851 4.023 1.00 0.00 N ATOM 991 CA ASN A 66 3.121 9.263 5.378 1.00 0.00 C ATOM 992 C ASN A 66 2.678 8.216 6.395 1.00 0.00 C ATOM 993 O ASN A 66 3.028 8.294 7.573 1.00 0.00 O ATOM 994 CB ASN A 66 2.477 10.612 5.704 1.00 0.00 C ATOM 995 CG ASN A 66 2.971 11.723 4.797 1.00 0.00 C ATOM 996 OD1 ASN A 66 4.035 11.615 4.187 1.00 0.00 O ATOM 997 ND2 ASN A 66 2.198 12.799 4.705 1.00 0.00 N ATOM 0 H ASN A 66 2.014 9.386 3.601 1.00 0.00 H new ATOM 0 HA ASN A 66 4.205 9.362 5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.394 10.526 5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.689 10.872 6.741 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.478 13.579 4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.324 12.845 5.229 1.00 0.00 H new ATOM 1004 N TYR A 67 1.907 7.238 5.933 1.00 0.00 N ATOM 1005 CA TYR A 67 1.415 6.177 6.802 1.00 0.00 C ATOM 1006 C TYR A 67 2.310 4.944 6.717 1.00 0.00 C ATOM 1007 O TYR A 67 2.309 4.099 7.612 1.00 0.00 O ATOM 1008 CB TYR A 67 -0.021 5.806 6.427 1.00 0.00 C ATOM 1009 CG TYR A 67 -1.063 6.695 7.067 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -1.155 8.041 6.734 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.955 6.189 8.004 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -2.105 8.857 7.317 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.909 6.997 8.591 1.00 0.00 C ATOM 1014 CZ TYR A 67 -2.980 8.331 8.244 1.00 0.00 C ATOM 1015 OH TYR A 67 -3.929 9.139 8.827 1.00 0.00 O ATOM 0 H TYR A 67 1.609 7.158 4.961 1.00 0.00 H new ATOM 0 HA TYR A 67 1.432 6.545 7.828 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.129 5.856 5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.208 4.773 6.719 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.472 8.456 6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.902 5.146 8.278 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.162 9.901 7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.595 6.587 9.317 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.465 8.612 9.456 1.00 0.00 H new ATOM 1025 N VAL A 68 3.073 4.849 5.633 1.00 0.00 N ATOM 1026 CA VAL A 68 3.975 3.721 5.430 1.00 0.00 C ATOM 1027 C VAL A 68 5.431 4.173 5.442 1.00 0.00 C ATOM 1028 O VAL A 68 5.721 5.364 5.549 1.00 0.00 O ATOM 1029 CB VAL A 68 3.683 3.002 4.100 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.207 2.649 3.996 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.118 3.862 2.923 1.00 0.00 C ATOM 0 H VAL A 68 3.085 5.539 4.882 1.00 0.00 H new ATOM 0 HA VAL A 68 3.806 3.028 6.254 1.00 0.00 H new ATOM 0 HB VAL A 68 4.256 2.075 4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.020 2.142 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.931 1.992 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.611 3.560 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.904 3.338 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.574 4.806 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.188 4.058 2.992 1.00 0.00 H new ATOM 1041 N ALA A 69 6.343 3.213 5.330 1.00 0.00 N ATOM 1042 CA ALA A 69 7.770 3.512 5.325 1.00 0.00 C ATOM 1043 C ALA A 69 8.543 2.488 4.501 1.00 0.00 C ATOM 1044 O ALA A 69 7.986 1.478 4.070 1.00 0.00 O ATOM 1045 CB ALA A 69 8.304 3.558 6.749 1.00 0.00 C ATOM 0 H ALA A 69 6.119 2.222 5.242 1.00 0.00 H new ATOM 0 HA ALA A 69 7.910 4.490 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.371 3.782 6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.780 4.332 7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.144 2.592 7.229 1.00 0.00 H new ATOM 1051 N GLU A 70 9.827 2.756 4.286 1.00 0.00 N ATOM 1052 CA GLU A 70 10.674 1.857 3.511 1.00 0.00 C ATOM 1053 C GLU A 70 11.271 0.770 4.401 1.00 0.00 C ATOM 1054 O GLU A 70 12.161 1.035 5.209 1.00 0.00 O ATOM 1055 CB GLU A 70 11.794 2.641 2.824 1.00 0.00 C ATOM 1056 CG GLU A 70 12.288 1.999 1.539 1.00 0.00 C ATOM 1057 CD GLU A 70 13.228 2.899 0.760 1.00 0.00 C ATOM 1058 OE1 GLU A 70 13.860 3.778 1.383 1.00 0.00 O ATOM 1059 OE2 GLU A 70 13.331 2.724 -0.472 1.00 0.00 O ATOM 0 H GLU A 70 10.303 3.587 4.637 1.00 0.00 H new ATOM 0 HA GLU A 70 10.055 1.381 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.439 3.648 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.631 2.742 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.799 1.066 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.433 1.744 0.913 1.00 0.00 H new ATOM 1066 N ASP A 71 10.775 -0.452 4.246 1.00 0.00 N ATOM 1067 CA ASP A 71 11.258 -1.579 5.035 1.00 0.00 C ATOM 1068 C ASP A 71 12.359 -2.330 4.291 1.00 0.00 C ATOM 1069 O ASP A 71 12.545 -2.147 3.088 1.00 0.00 O ATOM 1070 CB ASP A 71 10.107 -2.531 5.362 1.00 0.00 C ATOM 1071 CG ASP A 71 10.311 -3.256 6.678 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.464 -2.573 7.713 1.00 0.00 O ATOM 1073 OD2 ASP A 71 10.319 -4.505 6.674 1.00 0.00 O ATOM 0 H ASP A 71 10.038 -0.688 3.581 1.00 0.00 H new ATOM 0 HA ASP A 71 11.672 -1.189 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.174 -1.969 5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.005 -3.262 4.560 1.00 0.00 H new