USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=8 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 -102:sc= 0.522 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0088 X(o=-0.0088,f=-0.41!) 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 X(o=0,f=-0.015) USER MOD Single : A 47 HIS : no HD1:sc= -0.0963 K(o=-0.096,f=-1.1) USER MOD Single : A 60 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 118:sc= 0.595 USER MOD Single : A 66 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 9.072 -2.340 -5.024 1.00 0.00 N ATOM 67 CA GLN A 8 9.146 -1.445 -3.875 1.00 0.00 C ATOM 68 C GLN A 8 8.180 -1.885 -2.780 1.00 0.00 C ATOM 69 O GLN A 8 6.971 -1.680 -2.886 1.00 0.00 O ATOM 70 CB GLN A 8 8.835 -0.009 -4.299 1.00 0.00 C ATOM 71 CG GLN A 8 10.055 0.762 -4.777 1.00 0.00 C ATOM 72 CD GLN A 8 9.768 2.235 -4.992 1.00 0.00 C ATOM 73 OE1 GLN A 8 8.834 2.599 -5.706 1.00 0.00 O ATOM 74 NE2 GLN A 8 10.572 3.091 -4.373 1.00 0.00 N ATOM 0 HA GLN A 8 10.160 -1.487 -3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.092 -0.027 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.387 0.521 -3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.857 0.655 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.413 0.326 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.334 2.745 -3.790 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.427 4.095 -4.480 1.00 0.00 H new ATOM 83 N TYR A 9 8.721 -2.491 -1.729 1.00 0.00 N ATOM 84 CA TYR A 9 7.907 -2.963 -0.616 1.00 0.00 C ATOM 85 C TYR A 9 7.951 -1.977 0.548 1.00 0.00 C ATOM 86 O TYR A 9 9.025 -1.566 0.987 1.00 0.00 O ATOM 87 CB TYR A 9 8.387 -4.339 -0.152 1.00 0.00 C ATOM 88 CG TYR A 9 8.555 -5.333 -1.278 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.451 -5.875 -1.924 1.00 0.00 C ATOM 90 CD2 TYR A 9 9.819 -5.731 -1.698 1.00 0.00 C ATOM 91 CE1 TYR A 9 7.600 -6.784 -2.953 1.00 0.00 C ATOM 92 CE2 TYR A 9 9.977 -6.638 -2.727 1.00 0.00 C ATOM 93 CZ TYR A 9 8.865 -7.163 -3.351 1.00 0.00 C ATOM 94 OH TYR A 9 9.017 -8.067 -4.377 1.00 0.00 O ATOM 0 H TYR A 9 9.720 -2.667 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 9 6.876 -3.043 -0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.339 -4.226 0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.675 -4.738 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.459 -5.580 -1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.693 -5.324 -1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.730 -7.196 -3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.967 -6.935 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 9 9.971 -8.226 -4.534 1.00 0.00 H new ATOM 104 N PHE A 10 6.776 -1.603 1.043 1.00 0.00 N ATOM 105 CA PHE A 10 6.680 -0.665 2.156 1.00 0.00 C ATOM 106 C PHE A 10 5.889 -1.272 3.311 1.00 0.00 C ATOM 107 O PHE A 10 5.059 -2.160 3.112 1.00 0.00 O ATOM 108 CB PHE A 10 6.018 0.636 1.698 1.00 0.00 C ATOM 109 CG PHE A 10 6.947 1.551 0.953 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.541 1.144 -0.230 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.228 2.819 1.438 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.396 1.985 -0.918 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.082 3.663 0.755 1.00 0.00 C ATOM 114 CZ PHE A 10 8.668 3.245 -0.424 1.00 0.00 C ATOM 0 H PHE A 10 5.878 -1.935 0.692 1.00 0.00 H new ATOM 0 HA PHE A 10 7.690 -0.448 2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.168 0.396 1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.625 1.161 2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.334 0.158 -0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.774 3.151 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.851 1.656 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.291 4.649 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.338 3.903 -0.958 1.00 0.00 H new ATOM 124 N VAL A 11 6.152 -0.787 4.520 1.00 0.00 N ATOM 125 CA VAL A 11 5.465 -1.280 5.708 1.00 0.00 C ATOM 126 C VAL A 11 4.573 -0.202 6.314 1.00 0.00 C ATOM 127 O VAL A 11 4.929 0.976 6.332 1.00 0.00 O ATOM 128 CB VAL A 11 6.466 -1.761 6.776 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.460 -0.660 7.112 1.00 0.00 C ATOM 130 CG2 VAL A 11 5.731 -2.226 8.024 1.00 0.00 C ATOM 0 H VAL A 11 6.836 -0.053 4.703 1.00 0.00 H new ATOM 0 HA VAL A 11 4.849 -2.122 5.391 1.00 0.00 H new ATOM 0 HB VAL A 11 7.022 -2.608 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.159 -1.019 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.010 -0.380 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.925 0.209 7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.453 -2.562 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.148 -1.400 8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.064 -3.049 7.768 1.00 0.00 H new ATOM 140 N ALA A 12 3.411 -0.615 6.810 1.00 0.00 N ATOM 141 CA ALA A 12 2.467 0.315 7.419 1.00 0.00 C ATOM 142 C ALA A 12 2.828 0.587 8.875 1.00 0.00 C ATOM 143 O ALA A 12 2.763 -0.307 9.720 1.00 0.00 O ATOM 144 CB ALA A 12 1.050 -0.229 7.317 1.00 0.00 C ATOM 0 H ALA A 12 3.101 -1.587 6.802 1.00 0.00 H new ATOM 0 HA ALA A 12 2.522 1.258 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.356 0.475 7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.788 -0.366 6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.990 -1.187 7.834 1.00 0.00 H new ATOM 150 N LEU A 13 3.209 1.827 9.163 1.00 0.00 N ATOM 151 CA LEU A 13 3.581 2.218 10.519 1.00 0.00 C ATOM 152 C LEU A 13 2.352 2.301 11.418 1.00 0.00 C ATOM 153 O LEU A 13 2.414 1.976 12.604 1.00 0.00 O ATOM 154 CB LEU A 13 4.307 3.564 10.501 1.00 0.00 C ATOM 155 CG LEU A 13 5.608 3.615 9.698 1.00 0.00 C ATOM 156 CD1 LEU A 13 5.840 5.013 9.147 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.783 3.178 10.560 1.00 0.00 C ATOM 0 H LEU A 13 3.268 2.579 8.476 1.00 0.00 H new ATOM 0 HA LEU A 13 4.250 1.457 10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.627 4.316 10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.527 3.849 11.530 1.00 0.00 H new ATOM 0 HG LEU A 13 5.522 2.925 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.770 5.030 8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.011 5.289 8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.905 5.723 9.972 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.700 3.220 9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.871 3.843 11.419 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.621 2.157 10.906 1.00 0.00 H new ATOM 169 N PHE A 14 1.235 2.737 10.845 1.00 0.00 N ATOM 170 CA PHE A 14 -0.010 2.862 11.595 1.00 0.00 C ATOM 171 C PHE A 14 -1.175 2.256 10.819 1.00 0.00 C ATOM 172 O PHE A 14 -1.017 1.826 9.676 1.00 0.00 O ATOM 173 CB PHE A 14 -0.298 4.333 11.904 1.00 0.00 C ATOM 174 CG PHE A 14 0.923 5.113 12.301 1.00 0.00 C ATOM 175 CD1 PHE A 14 1.485 4.952 13.557 1.00 0.00 C ATOM 176 CD2 PHE A 14 1.507 6.006 11.418 1.00 0.00 C ATOM 177 CE1 PHE A 14 2.608 5.668 13.926 1.00 0.00 C ATOM 178 CE2 PHE A 14 2.631 6.724 11.781 1.00 0.00 C ATOM 179 CZ PHE A 14 3.182 6.556 13.037 1.00 0.00 C ATOM 0 H PHE A 14 1.166 3.010 9.865 1.00 0.00 H new ATOM 0 HA PHE A 14 0.102 2.316 12.532 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.748 4.799 11.027 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.033 4.390 12.707 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.040 4.259 14.256 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.080 6.143 10.436 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.036 5.533 14.908 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.078 7.416 11.083 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.059 7.117 13.323 1.00 0.00 H new ATOM 189 N ASP A 15 -2.344 2.224 11.449 1.00 0.00 N ATOM 190 CA ASP A 15 -3.537 1.670 10.818 1.00 0.00 C ATOM 191 C ASP A 15 -4.273 2.739 10.016 1.00 0.00 C ATOM 192 O ASP A 15 -4.317 3.905 10.409 1.00 0.00 O ATOM 193 CB ASP A 15 -4.470 1.077 11.875 1.00 0.00 C ATOM 194 CG ASP A 15 -3.788 0.020 12.721 1.00 0.00 C ATOM 195 OD1 ASP A 15 -3.064 0.393 13.667 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.977 -1.182 12.436 1.00 0.00 O ATOM 0 H ASP A 15 -2.491 2.575 12.395 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.224 0.880 10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.836 1.875 12.521 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.340 0.640 11.384 1.00 0.00 H new ATOM 201 N TYR A 16 -4.848 2.334 8.889 1.00 0.00 N ATOM 202 CA TYR A 16 -5.579 3.257 8.029 1.00 0.00 C ATOM 203 C TYR A 16 -6.710 2.541 7.298 1.00 0.00 C ATOM 204 O TYR A 16 -6.503 1.491 6.689 1.00 0.00 O ATOM 205 CB TYR A 16 -4.631 3.903 7.017 1.00 0.00 C ATOM 206 CG TYR A 16 -5.332 4.785 6.009 1.00 0.00 C ATOM 207 CD1 TYR A 16 -6.009 4.235 4.928 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.315 6.169 6.136 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.650 5.038 4.003 1.00 0.00 C ATOM 210 CE2 TYR A 16 -5.954 6.978 5.218 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.620 6.408 4.153 1.00 0.00 C ATOM 212 OH TYR A 16 -7.257 7.212 3.235 1.00 0.00 O ATOM 0 H TYR A 16 -4.822 1.372 8.550 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.013 4.034 8.658 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.890 4.496 7.553 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.090 3.119 6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.035 3.162 4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.793 6.619 6.967 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.171 4.594 3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.933 8.052 5.333 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.596 7.593 2.620 1.00 0.00 H new ATOM 222 N GLN A 17 -7.906 3.117 7.363 1.00 0.00 N ATOM 223 CA GLN A 17 -9.071 2.534 6.707 1.00 0.00 C ATOM 224 C GLN A 17 -9.479 3.358 5.490 1.00 0.00 C ATOM 225 O GLN A 17 -9.363 4.583 5.490 1.00 0.00 O ATOM 226 CB GLN A 17 -10.240 2.438 7.689 1.00 0.00 C ATOM 227 CG GLN A 17 -10.446 3.697 8.515 1.00 0.00 C ATOM 228 CD GLN A 17 -11.671 3.618 9.404 1.00 0.00 C ATOM 229 OE1 GLN A 17 -12.125 2.530 9.759 1.00 0.00 O ATOM 230 NE2 GLN A 17 -12.213 4.773 9.771 1.00 0.00 N ATOM 0 H GLN A 17 -8.094 3.986 7.863 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.805 1.532 6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.153 2.224 7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.071 1.596 8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.564 3.870 9.132 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.541 4.553 7.847 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.804 5.652 9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.038 4.781 10.370 1.00 0.00 H new ATOM 312 N ASP A 23 -9.615 4.481 -2.543 1.00 0.00 N ATOM 313 CA ASP A 23 -8.642 4.381 -1.462 1.00 0.00 C ATOM 314 C ASP A 23 -8.518 2.942 -0.972 1.00 0.00 C ATOM 315 O ASP A 23 -9.477 2.170 -1.031 1.00 0.00 O ATOM 316 CB ASP A 23 -9.041 5.295 -0.302 1.00 0.00 C ATOM 317 CG ASP A 23 -8.605 6.731 -0.520 1.00 0.00 C ATOM 318 OD1 ASP A 23 -7.389 6.963 -0.683 1.00 0.00 O ATOM 319 OD2 ASP A 23 -9.480 7.622 -0.527 1.00 0.00 O ATOM 0 HA ASP A 23 -7.673 4.698 -1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.123 5.262 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.599 4.920 0.621 1.00 0.00 H new ATOM 324 N LEU A 24 -7.332 2.586 -0.490 1.00 0.00 N ATOM 325 CA LEU A 24 -7.083 1.238 0.009 1.00 0.00 C ATOM 326 C LEU A 24 -6.997 1.229 1.532 1.00 0.00 C ATOM 327 O LEU A 24 -6.529 2.189 2.143 1.00 0.00 O ATOM 328 CB LEU A 24 -5.789 0.683 -0.589 1.00 0.00 C ATOM 329 CG LEU A 24 -5.577 -0.825 -0.450 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.307 -1.570 -1.556 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.093 -1.159 -0.468 1.00 0.00 C ATOM 0 H LEU A 24 -6.528 3.212 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.917 0.605 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.764 0.937 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.948 1.193 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.988 -1.144 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.145 -2.642 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.374 -1.356 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.926 -1.247 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.961 -2.236 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.656 -0.826 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.596 -0.654 0.361 1.00 0.00 H new ATOM 343 N SER A 25 -7.451 0.136 2.138 1.00 0.00 N ATOM 344 CA SER A 25 -7.428 0.002 3.590 1.00 0.00 C ATOM 345 C SER A 25 -6.350 -0.985 4.027 1.00 0.00 C ATOM 346 O SER A 25 -6.133 -2.011 3.381 1.00 0.00 O ATOM 347 CB SER A 25 -8.794 -0.456 4.103 1.00 0.00 C ATOM 348 OG SER A 25 -8.944 -1.859 3.970 1.00 0.00 O ATOM 0 H SER A 25 -7.839 -0.669 1.646 1.00 0.00 H new ATOM 0 HA SER A 25 -7.197 0.978 4.017 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.907 -0.173 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.583 0.052 3.548 1.00 0.00 H new ATOM 0 HG SER A 25 -9.825 -2.127 4.306 1.00 0.00 H new ATOM 354 N PHE A 26 -5.677 -0.668 5.128 1.00 0.00 N ATOM 355 CA PHE A 26 -4.620 -1.526 5.652 1.00 0.00 C ATOM 356 C PHE A 26 -4.466 -1.339 7.158 1.00 0.00 C ATOM 357 O PHE A 26 -5.172 -0.539 7.772 1.00 0.00 O ATOM 358 CB PHE A 26 -3.295 -1.225 4.950 1.00 0.00 C ATOM 359 CG PHE A 26 -2.850 0.202 5.096 1.00 0.00 C ATOM 360 CD1 PHE A 26 -2.091 0.598 6.185 1.00 0.00 C ATOM 361 CD2 PHE A 26 -3.191 1.149 4.143 1.00 0.00 C ATOM 362 CE1 PHE A 26 -1.681 1.911 6.322 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.784 2.463 4.274 1.00 0.00 C ATOM 364 CZ PHE A 26 -2.027 2.844 5.364 1.00 0.00 C ATOM 0 H PHE A 26 -5.844 0.177 5.675 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.897 -2.562 5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.523 -1.881 5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.393 -1.460 3.890 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.816 -0.128 6.936 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.782 0.856 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.091 2.207 7.177 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.058 3.191 3.525 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.706 3.870 5.467 1.00 0.00 H new ATOM 374 N ARG A 27 -3.536 -2.084 7.748 1.00 0.00 N ATOM 375 CA ARG A 27 -3.289 -2.002 9.183 1.00 0.00 C ATOM 376 C ARG A 27 -1.792 -1.939 9.474 1.00 0.00 C ATOM 377 O ARG A 27 -0.970 -2.287 8.627 1.00 0.00 O ATOM 378 CB ARG A 27 -3.908 -3.205 9.898 1.00 0.00 C ATOM 379 CG ARG A 27 -5.388 -3.391 9.606 1.00 0.00 C ATOM 380 CD ARG A 27 -6.073 -4.201 10.695 1.00 0.00 C ATOM 381 NE ARG A 27 -7.329 -4.786 10.234 1.00 0.00 N ATOM 382 CZ ARG A 27 -8.322 -5.130 11.047 1.00 0.00 C ATOM 383 NH1 ARG A 27 -8.205 -4.949 12.355 1.00 0.00 N ATOM 384 NH2 ARG A 27 -9.434 -5.657 10.552 1.00 0.00 N ATOM 0 H ARG A 27 -2.942 -2.750 7.255 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.753 -1.088 9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.372 -4.107 9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.770 -3.089 10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.868 -2.416 9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.510 -3.893 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.405 -4.994 11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.266 -3.561 11.556 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.451 -4.939 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.351 -4.545 12.740 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.969 -5.214 12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.527 -5.799 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.196 -5.921 11.177 1.00 0.00 H new ATOM 398 N ALA A 28 -1.447 -1.493 10.677 1.00 0.00 N ATOM 399 CA ALA A 28 -0.050 -1.386 11.081 1.00 0.00 C ATOM 400 C ALA A 28 0.662 -2.729 10.956 1.00 0.00 C ATOM 401 O ALA A 28 0.312 -3.693 11.636 1.00 0.00 O ATOM 402 CB ALA A 28 0.049 -0.864 12.506 1.00 0.00 C ATOM 0 H ALA A 28 -2.116 -1.200 11.389 1.00 0.00 H new ATOM 0 HA ALA A 28 0.443 -0.680 10.413 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.098 -0.789 12.794 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.415 0.121 12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.465 -1.549 13.181 1.00 0.00 H new ATOM 408 N GLY A 29 1.663 -2.784 10.083 1.00 0.00 N ATOM 409 CA GLY A 29 2.407 -4.014 9.885 1.00 0.00 C ATOM 410 C GLY A 29 1.856 -4.849 8.746 1.00 0.00 C ATOM 411 O GLY A 29 1.813 -6.076 8.831 1.00 0.00 O ATOM 0 H GLY A 29 1.972 -1.999 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.451 -3.775 9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.386 -4.600 10.804 1.00 0.00 H new ATOM 415 N ASP A 30 1.433 -4.182 7.677 1.00 0.00 N ATOM 416 CA ASP A 30 0.882 -4.870 6.516 1.00 0.00 C ATOM 417 C ASP A 30 1.771 -4.670 5.293 1.00 0.00 C ATOM 418 O ASP A 30 1.878 -3.563 4.763 1.00 0.00 O ATOM 419 CB ASP A 30 -0.532 -4.366 6.222 1.00 0.00 C ATOM 420 CG ASP A 30 -1.552 -4.892 7.213 1.00 0.00 C ATOM 421 OD1 ASP A 30 -1.183 -5.105 8.386 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.719 -5.092 6.814 1.00 0.00 O ATOM 0 H ASP A 30 1.461 -3.166 7.591 1.00 0.00 H new ATOM 0 HA ASP A 30 0.840 -5.936 6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.538 -3.276 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.820 -4.667 5.215 1.00 0.00 H new ATOM 427 N LYS A 31 2.409 -5.747 4.848 1.00 0.00 N ATOM 428 CA LYS A 31 3.290 -5.691 3.688 1.00 0.00 C ATOM 429 C LYS A 31 2.529 -5.226 2.450 1.00 0.00 C ATOM 430 O LYS A 31 1.573 -5.871 2.017 1.00 0.00 O ATOM 431 CB LYS A 31 3.914 -7.064 3.429 1.00 0.00 C ATOM 432 CG LYS A 31 5.035 -7.414 4.393 1.00 0.00 C ATOM 433 CD LYS A 31 6.293 -6.614 4.100 1.00 0.00 C ATOM 434 CE LYS A 31 7.544 -7.367 4.526 1.00 0.00 C ATOM 435 NZ LYS A 31 8.025 -8.289 3.460 1.00 0.00 N ATOM 0 H LYS A 31 2.332 -6.671 5.274 1.00 0.00 H new ATOM 0 HA LYS A 31 4.082 -4.972 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.137 -7.826 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.300 -7.092 2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.710 -7.221 5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.256 -8.479 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.345 -6.393 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.247 -5.658 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.331 -6.654 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.335 -7.936 5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.879 -8.784 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.284 -8.985 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.249 -7.743 2.604 1.00 0.00 H new ATOM 449 N LEU A 32 2.961 -4.104 1.884 1.00 0.00 N ATOM 450 CA LEU A 32 2.321 -3.553 0.694 1.00 0.00 C ATOM 451 C LEU A 32 3.363 -3.083 -0.316 1.00 0.00 C ATOM 452 O LEU A 32 4.314 -2.387 0.039 1.00 0.00 O ATOM 453 CB LEU A 32 1.403 -2.391 1.076 1.00 0.00 C ATOM 454 CG LEU A 32 0.275 -2.720 2.053 1.00 0.00 C ATOM 455 CD1 LEU A 32 -0.122 -1.485 2.847 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.926 -3.287 1.310 1.00 0.00 C ATOM 0 H LEU A 32 3.751 -3.559 2.229 1.00 0.00 H new ATOM 0 HA LEU A 32 1.726 -4.341 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.014 -1.600 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.961 -1.989 0.164 1.00 0.00 H new ATOM 0 HG LEU A 32 0.635 -3.475 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.926 -1.739 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.738 -1.122 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.463 -0.707 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.719 -3.515 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.286 -2.554 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.634 -4.198 0.788 1.00 0.00 H new ATOM 468 N GLN A 33 3.175 -3.466 -1.575 1.00 0.00 N ATOM 469 CA GLN A 33 4.099 -3.081 -2.636 1.00 0.00 C ATOM 470 C GLN A 33 3.613 -1.825 -3.351 1.00 0.00 C ATOM 471 O GLN A 33 2.512 -1.798 -3.901 1.00 0.00 O ATOM 472 CB GLN A 33 4.260 -4.224 -3.639 1.00 0.00 C ATOM 473 CG GLN A 33 5.381 -4.000 -4.642 1.00 0.00 C ATOM 474 CD GLN A 33 5.372 -5.019 -5.764 1.00 0.00 C ATOM 475 OE1 GLN A 33 5.687 -6.191 -5.557 1.00 0.00 O ATOM 476 NE2 GLN A 33 5.011 -4.576 -6.963 1.00 0.00 N ATOM 0 H GLN A 33 2.392 -4.042 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 33 5.066 -2.867 -2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.450 -5.149 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.322 -4.358 -4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.291 -2.999 -5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.340 -4.043 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.758 -3.596 -7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.987 -5.216 -7.757 1.00 0.00 H new ATOM 485 N VAL A 34 4.442 -0.786 -3.340 1.00 0.00 N ATOM 486 CA VAL A 34 4.098 0.474 -3.989 1.00 0.00 C ATOM 487 C VAL A 34 4.279 0.382 -5.499 1.00 0.00 C ATOM 488 O VAL A 34 5.348 0.011 -5.986 1.00 0.00 O ATOM 489 CB VAL A 34 4.954 1.635 -3.450 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.598 2.934 -4.157 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.779 1.772 -1.945 1.00 0.00 C ATOM 0 H VAL A 34 5.357 -0.792 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 34 3.050 0.670 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 34 6.002 1.415 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.213 3.743 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.780 2.828 -5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.546 3.163 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.391 2.597 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.732 1.969 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.089 0.848 -1.457 1.00 0.00 H new ATOM 501 N LEU A 35 3.228 0.722 -6.237 1.00 0.00 N ATOM 502 CA LEU A 35 3.270 0.678 -7.695 1.00 0.00 C ATOM 503 C LEU A 35 3.485 2.072 -8.275 1.00 0.00 C ATOM 504 O LEU A 35 4.434 2.304 -9.025 1.00 0.00 O ATOM 505 CB LEU A 35 1.975 0.078 -8.245 1.00 0.00 C ATOM 506 CG LEU A 35 1.548 -1.262 -7.646 1.00 0.00 C ATOM 507 CD1 LEU A 35 0.058 -1.488 -7.848 1.00 0.00 C ATOM 508 CD2 LEU A 35 2.350 -2.400 -8.260 1.00 0.00 C ATOM 0 H LEU A 35 2.336 1.031 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 35 4.109 0.048 -7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.170 0.796 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.085 -0.047 -9.322 1.00 0.00 H new ATOM 0 HG LEU A 35 1.748 -1.239 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.227 -2.447 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.501 -0.689 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.168 -1.490 -8.914 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.033 -3.346 -7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.182 -2.424 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.411 -2.246 -8.062 1.00 0.00 H new ATOM 520 N ASP A 36 2.599 2.997 -7.922 1.00 0.00 N ATOM 521 CA ASP A 36 2.694 4.370 -8.406 1.00 0.00 C ATOM 522 C ASP A 36 3.229 5.294 -7.316 1.00 0.00 C ATOM 523 O ASP A 36 2.746 5.281 -6.183 1.00 0.00 O ATOM 524 CB ASP A 36 1.326 4.861 -8.881 1.00 0.00 C ATOM 525 CG ASP A 36 1.434 5.944 -9.936 1.00 0.00 C ATOM 526 OD1 ASP A 36 2.478 6.006 -10.619 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.475 6.731 -10.079 1.00 0.00 O ATOM 0 H ASP A 36 1.807 2.822 -7.303 1.00 0.00 H new ATOM 0 HA ASP A 36 3.389 4.386 -9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.761 4.020 -9.284 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.764 5.243 -8.029 1.00 0.00 H new ATOM 532 N THR A 37 4.231 6.094 -7.665 1.00 0.00 N ATOM 533 CA THR A 37 4.833 7.023 -6.718 1.00 0.00 C ATOM 534 C THR A 37 4.998 8.408 -7.333 1.00 0.00 C ATOM 535 O THR A 37 6.014 9.072 -7.129 1.00 0.00 O ATOM 536 CB THR A 37 6.208 6.521 -6.236 1.00 0.00 C ATOM 537 OG1 THR A 37 7.061 6.277 -7.359 1.00 0.00 O ATOM 538 CG2 THR A 37 6.062 5.248 -5.416 1.00 0.00 C ATOM 0 H THR A 37 4.643 6.117 -8.598 1.00 0.00 H new ATOM 0 HA THR A 37 4.157 7.086 -5.865 1.00 0.00 H new ATOM 0 HB THR A 37 6.651 7.291 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.933 5.960 -7.044 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.045 4.912 -5.087 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.436 5.445 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.600 4.473 -6.027 1.00 0.00 H new ATOM 546 N SER A 38 3.991 8.839 -8.087 1.00 0.00 N ATOM 547 CA SER A 38 4.026 10.144 -8.735 1.00 0.00 C ATOM 548 C SER A 38 3.336 11.198 -7.873 1.00 0.00 C ATOM 549 O SER A 38 3.947 12.192 -7.480 1.00 0.00 O ATOM 550 CB SER A 38 3.355 10.074 -10.108 1.00 0.00 C ATOM 551 OG SER A 38 4.286 9.711 -11.113 1.00 0.00 O ATOM 0 H SER A 38 3.141 8.303 -8.264 1.00 0.00 H new ATOM 0 HA SER A 38 5.070 10.430 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.542 9.349 -10.082 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.913 11.040 -10.350 1.00 0.00 H new ATOM 0 HG SER A 38 3.832 9.672 -11.981 1.00 0.00 H new ATOM 557 N HIS A 39 2.059 10.972 -7.582 1.00 0.00 N ATOM 558 CA HIS A 39 1.285 11.900 -6.766 1.00 0.00 C ATOM 559 C HIS A 39 1.858 11.990 -5.355 1.00 0.00 C ATOM 560 O HIS A 39 1.501 11.203 -4.480 1.00 0.00 O ATOM 561 CB HIS A 39 -0.179 11.462 -6.708 1.00 0.00 C ATOM 562 CG HIS A 39 -1.139 12.601 -6.546 1.00 0.00 C ATOM 563 ND1 HIS A 39 -1.861 12.818 -5.392 1.00 0.00 N ATOM 564 CD2 HIS A 39 -1.491 13.590 -7.401 1.00 0.00 C ATOM 565 CE1 HIS A 39 -2.618 13.890 -5.545 1.00 0.00 C ATOM 566 NE2 HIS A 39 -2.412 14.377 -6.755 1.00 0.00 N ATOM 0 H HIS A 39 1.538 10.154 -7.899 1.00 0.00 H new ATOM 0 HA HIS A 39 1.343 12.886 -7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.424 10.918 -7.621 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.309 10.767 -5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.117 13.733 -8.404 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.291 14.299 -4.806 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.864 15.204 -7.146 1.00 0.00 H new ATOM 575 N GLU A 40 2.747 12.956 -5.143 1.00 0.00 N ATOM 576 CA GLU A 40 3.370 13.147 -3.838 1.00 0.00 C ATOM 577 C GLU A 40 2.332 13.059 -2.722 1.00 0.00 C ATOM 578 O GLU A 40 1.354 13.805 -2.709 1.00 0.00 O ATOM 579 CB GLU A 40 4.082 14.499 -3.782 1.00 0.00 C ATOM 580 CG GLU A 40 4.752 14.779 -2.447 1.00 0.00 C ATOM 581 CD GLU A 40 4.953 16.261 -2.194 1.00 0.00 C ATOM 582 OE1 GLU A 40 5.911 16.833 -2.756 1.00 0.00 O ATOM 583 OE2 GLU A 40 4.153 16.848 -1.436 1.00 0.00 O ATOM 0 H GLU A 40 3.052 13.618 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 40 4.102 12.353 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.833 14.538 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.360 15.289 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.147 14.356 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.718 14.275 -2.417 1.00 0.00 H new ATOM 590 N GLY A 41 2.554 12.140 -1.787 1.00 0.00 N ATOM 591 CA GLY A 41 1.631 11.971 -0.680 1.00 0.00 C ATOM 592 C GLY A 41 0.830 10.688 -0.785 1.00 0.00 C ATOM 593 O GLY A 41 0.936 9.810 0.071 1.00 0.00 O ATOM 0 H GLY A 41 3.356 11.510 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.188 11.973 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.949 12.820 -0.647 1.00 0.00 H new ATOM 597 N TRP A 42 0.025 10.580 -1.836 1.00 0.00 N ATOM 598 CA TRP A 42 -0.799 9.395 -2.049 1.00 0.00 C ATOM 599 C TRP A 42 -0.163 8.467 -3.078 1.00 0.00 C ATOM 600 O TRP A 42 0.044 8.851 -4.229 1.00 0.00 O ATOM 601 CB TRP A 42 -2.201 9.800 -2.506 1.00 0.00 C ATOM 602 CG TRP A 42 -2.975 10.546 -1.462 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.001 11.898 -1.271 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.832 9.981 -0.464 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.823 12.207 -0.214 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.346 11.049 0.297 1.00 0.00 C ATOM 607 CE3 TRP A 42 -4.218 8.677 -0.140 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -5.223 10.851 1.361 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -5.088 8.482 0.915 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.583 9.564 1.655 1.00 0.00 C ATOM 0 H TRP A 42 -0.075 11.298 -2.554 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.873 8.859 -1.103 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.119 10.420 -3.399 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.756 8.905 -2.789 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.456 12.618 -1.863 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -4.013 13.147 0.134 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.842 7.837 -0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.605 11.683 1.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.392 7.478 1.174 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.262 9.378 2.474 1.00 0.00 H new ATOM 621 N TRP A 43 0.144 7.246 -2.656 1.00 0.00 N ATOM 622 CA TRP A 43 0.757 6.263 -3.543 1.00 0.00 C ATOM 623 C TRP A 43 -0.210 5.123 -3.843 1.00 0.00 C ATOM 624 O TRP A 43 -1.119 4.844 -3.060 1.00 0.00 O ATOM 625 CB TRP A 43 2.038 5.709 -2.916 1.00 0.00 C ATOM 626 CG TRP A 43 3.149 6.713 -2.850 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.239 7.883 -3.548 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.328 6.634 -2.041 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.403 8.537 -3.223 1.00 0.00 N ATOM 630 CE2 TRP A 43 5.088 7.792 -2.300 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.814 5.700 -1.123 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.307 8.036 -1.674 1.00 0.00 C ATOM 633 CZ3 TRP A 43 6.024 5.944 -0.503 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.760 7.104 -0.779 1.00 0.00 C ATOM 0 H TRP A 43 -0.021 6.913 -1.706 1.00 0.00 H new ATOM 0 HA TRP A 43 1.005 6.761 -4.480 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.817 5.355 -1.909 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.372 4.846 -3.491 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.503 8.242 -4.252 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.707 9.432 -3.607 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.254 4.803 -0.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.876 8.929 -1.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.410 5.228 0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.702 7.266 -0.276 1.00 0.00 H new ATOM 645 N LEU A 44 -0.010 4.468 -4.981 1.00 0.00 N ATOM 646 CA LEU A 44 -0.865 3.357 -5.385 1.00 0.00 C ATOM 647 C LEU A 44 -0.179 2.020 -5.128 1.00 0.00 C ATOM 648 O LEU A 44 0.691 1.600 -5.892 1.00 0.00 O ATOM 649 CB LEU A 44 -1.229 3.480 -6.866 1.00 0.00 C ATOM 650 CG LEU A 44 -2.034 2.323 -7.458 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.419 2.261 -6.832 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.136 2.462 -8.970 1.00 0.00 C ATOM 0 H LEU A 44 0.737 4.687 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.776 3.397 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.797 4.400 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.307 3.585 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.514 1.392 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.977 1.431 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.326 2.113 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.948 3.194 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.712 1.630 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.633 3.401 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.136 2.456 -9.404 1.00 0.00 H new ATOM 664 N ALA A 45 -0.576 1.354 -4.049 1.00 0.00 N ATOM 665 CA ALA A 45 -0.003 0.062 -3.694 1.00 0.00 C ATOM 666 C ALA A 45 -1.043 -1.048 -3.796 1.00 0.00 C ATOM 667 O ALA A 45 -2.235 -0.782 -3.955 1.00 0.00 O ATOM 668 CB ALA A 45 0.582 0.112 -2.290 1.00 0.00 C ATOM 0 H ALA A 45 -1.293 1.688 -3.405 1.00 0.00 H new ATOM 0 HA ALA A 45 0.796 -0.159 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.007 -0.860 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.363 0.871 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.204 0.360 -1.577 1.00 0.00 H new ATOM 674 N ARG A 46 -0.586 -2.292 -3.704 1.00 0.00 N ATOM 675 CA ARG A 46 -1.478 -3.442 -3.789 1.00 0.00 C ATOM 676 C ARG A 46 -1.251 -4.393 -2.617 1.00 0.00 C ATOM 677 O ARG A 46 -0.164 -4.436 -2.040 1.00 0.00 O ATOM 678 CB ARG A 46 -1.265 -4.184 -5.110 1.00 0.00 C ATOM 679 CG ARG A 46 0.079 -4.888 -5.203 1.00 0.00 C ATOM 680 CD ARG A 46 0.240 -5.608 -6.533 1.00 0.00 C ATOM 681 NE ARG A 46 1.293 -6.618 -6.485 1.00 0.00 N ATOM 682 CZ ARG A 46 1.703 -7.304 -7.546 1.00 0.00 C ATOM 683 NH1 ARG A 46 1.151 -7.089 -8.732 1.00 0.00 N ATOM 684 NH2 ARG A 46 2.667 -8.207 -7.422 1.00 0.00 N ATOM 0 H ARG A 46 0.397 -2.530 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.504 -3.078 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.060 -4.919 -5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.352 -3.475 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.881 -4.160 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.173 -5.604 -4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.703 -6.081 -6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.470 -4.882 -7.313 1.00 0.00 H new ATOM 0 HE ARG A 46 1.738 -6.807 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.410 -6.395 -8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.468 -7.617 -9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.094 -8.375 -6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.981 -8.733 -8.237 1.00 0.00 H new ATOM 698 N HIS A 47 -2.284 -5.154 -2.270 1.00 0.00 N ATOM 699 CA HIS A 47 -2.198 -6.104 -1.167 1.00 0.00 C ATOM 700 C HIS A 47 -1.403 -7.340 -1.576 1.00 0.00 C ATOM 701 O HIS A 47 -1.692 -7.968 -2.595 1.00 0.00 O ATOM 702 CB HIS A 47 -3.598 -6.513 -0.708 1.00 0.00 C ATOM 703 CG HIS A 47 -4.159 -5.630 0.364 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.726 -5.666 1.673 1.00 0.00 N ATOM 705 CD2 HIS A 47 -5.122 -4.680 0.314 1.00 0.00 C ATOM 706 CE1 HIS A 47 -4.400 -4.779 2.382 1.00 0.00 C ATOM 707 NE2 HIS A 47 -5.253 -4.166 1.581 1.00 0.00 N ATOM 0 H HIS A 47 -3.191 -5.131 -2.737 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.680 -5.617 -0.340 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.270 -6.501 -1.566 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.566 -7.539 -0.342 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.683 -4.382 -0.559 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.275 -4.587 3.437 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.903 -3.431 1.858 1.00 0.00 H new ATOM 716 N LEU A 48 -0.400 -7.684 -0.775 1.00 0.00 N ATOM 717 CA LEU A 48 0.439 -8.845 -1.054 1.00 0.00 C ATOM 718 C LEU A 48 -0.137 -10.100 -0.406 1.00 0.00 C ATOM 719 O LEU A 48 -0.139 -11.174 -1.006 1.00 0.00 O ATOM 720 CB LEU A 48 1.862 -8.603 -0.550 1.00 0.00 C ATOM 721 CG LEU A 48 2.654 -7.513 -1.273 1.00 0.00 C ATOM 722 CD1 LEU A 48 3.930 -7.186 -0.511 1.00 0.00 C ATOM 723 CD2 LEU A 48 2.976 -7.943 -2.696 1.00 0.00 C ATOM 0 H LEU A 48 -0.148 -7.176 0.073 1.00 0.00 H new ATOM 0 HA LEU A 48 0.464 -8.995 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.812 -8.347 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.417 -9.538 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 48 2.040 -6.613 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.481 -6.408 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.677 -6.834 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.548 -8.081 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.540 -7.155 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.570 -8.857 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.049 -8.126 -3.239 1.00 0.00 H new ATOM 735 N GLU A 49 -0.625 -9.955 0.822 1.00 0.00 N ATOM 736 CA GLU A 49 -1.205 -11.077 1.550 1.00 0.00 C ATOM 737 C GLU A 49 -2.234 -11.809 0.694 1.00 0.00 C ATOM 738 O GLU A 49 -3.074 -11.186 0.044 1.00 0.00 O ATOM 739 CB GLU A 49 -1.857 -10.591 2.846 1.00 0.00 C ATOM 740 CG GLU A 49 -0.858 -10.253 3.940 1.00 0.00 C ATOM 741 CD GLU A 49 -0.142 -8.939 3.690 1.00 0.00 C ATOM 742 OE1 GLU A 49 -0.799 -7.881 3.777 1.00 0.00 O ATOM 743 OE2 GLU A 49 1.074 -8.970 3.408 1.00 0.00 O ATOM 0 H GLU A 49 -0.630 -9.072 1.333 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.401 -11.772 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.460 -9.709 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.537 -11.360 3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.376 -10.204 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.123 -11.054 4.016 1.00 0.00 H new ATOM 882 N LEU A 59 -7.936 -4.469 -3.112 1.00 0.00 N ATOM 883 CA LEU A 59 -6.564 -4.948 -3.247 1.00 0.00 C ATOM 884 C LEU A 59 -5.627 -3.811 -3.642 1.00 0.00 C ATOM 885 O LEU A 59 -4.508 -3.714 -3.138 1.00 0.00 O ATOM 886 CB LEU A 59 -6.494 -6.067 -4.288 1.00 0.00 C ATOM 887 CG LEU A 59 -6.720 -5.647 -5.741 1.00 0.00 C ATOM 888 CD1 LEU A 59 -6.216 -6.721 -6.692 1.00 0.00 C ATOM 889 CD2 LEU A 59 -8.194 -5.361 -5.990 1.00 0.00 C ATOM 0 HA LEU A 59 -6.244 -5.338 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.516 -6.542 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.235 -6.823 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.156 -4.733 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.385 -6.404 -7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.149 -6.878 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.752 -7.652 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.336 -5.064 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.778 -6.258 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.524 -4.556 -5.334 1.00 0.00 H new ATOM 901 N GLN A 60 -6.092 -2.954 -4.544 1.00 0.00 N ATOM 902 CA GLN A 60 -5.295 -1.823 -5.005 1.00 0.00 C ATOM 903 C GLN A 60 -6.037 -0.508 -4.784 1.00 0.00 C ATOM 904 O GLN A 60 -7.258 -0.442 -4.924 1.00 0.00 O ATOM 905 CB GLN A 60 -4.950 -1.985 -6.486 1.00 0.00 C ATOM 906 CG GLN A 60 -3.647 -2.730 -6.729 1.00 0.00 C ATOM 907 CD GLN A 60 -3.349 -2.917 -8.203 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.541 -4.002 -8.754 1.00 0.00 O ATOM 909 NE2 GLN A 60 -2.875 -1.859 -8.851 1.00 0.00 N ATOM 0 H GLN A 60 -7.016 -3.021 -4.970 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.372 -1.800 -4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.761 -2.517 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.886 -0.999 -6.946 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.828 -2.183 -6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.695 -3.706 -6.245 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.731 -0.979 -8.355 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.655 -1.926 -9.845 1.00 0.00 H new ATOM 918 N GLY A 61 -5.291 0.536 -4.438 1.00 0.00 N ATOM 919 CA GLY A 61 -5.895 1.834 -4.203 1.00 0.00 C ATOM 920 C GLY A 61 -4.891 2.862 -3.721 1.00 0.00 C ATOM 921 O GLY A 61 -3.691 2.590 -3.664 1.00 0.00 O ATOM 0 H GLY A 61 -4.279 0.506 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.359 2.188 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.690 1.733 -3.464 1.00 0.00 H new ATOM 925 N TYR A 62 -5.380 4.048 -3.376 1.00 0.00 N ATOM 926 CA TYR A 62 -4.516 5.122 -2.900 1.00 0.00 C ATOM 927 C TYR A 62 -4.293 5.017 -1.395 1.00 0.00 C ATOM 928 O TYR A 62 -5.232 4.787 -0.632 1.00 0.00 O ATOM 929 CB TYR A 62 -5.124 6.483 -3.243 1.00 0.00 C ATOM 930 CG TYR A 62 -5.038 6.832 -4.712 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.817 6.847 -5.373 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.180 7.147 -5.439 1.00 0.00 C ATOM 933 CE1 TYR A 62 -3.734 7.166 -6.714 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.107 7.466 -6.781 1.00 0.00 C ATOM 935 CZ TYR A 62 -4.882 7.475 -7.414 1.00 0.00 C ATOM 936 OH TYR A 62 -4.803 7.792 -8.751 1.00 0.00 O ATOM 0 H TYR A 62 -6.370 4.290 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.552 5.025 -3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.170 6.492 -2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.616 7.255 -2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.916 6.605 -4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.141 7.142 -4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.776 7.174 -7.212 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.004 7.707 -7.331 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.700 7.983 -9.096 1.00 0.00 H new ATOM 946 N ILE A 63 -3.044 5.186 -0.975 1.00 0.00 N ATOM 947 CA ILE A 63 -2.697 5.112 0.439 1.00 0.00 C ATOM 948 C ILE A 63 -1.674 6.180 0.811 1.00 0.00 C ATOM 949 O ILE A 63 -0.783 6.519 0.032 1.00 0.00 O ATOM 950 CB ILE A 63 -2.134 3.727 0.808 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.816 3.475 0.073 1.00 0.00 C ATOM 952 CG2 ILE A 63 -3.146 2.639 0.481 1.00 0.00 C ATOM 953 CD1 ILE A 63 -0.035 2.300 0.617 1.00 0.00 C ATOM 0 H ILE A 63 -2.255 5.375 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.616 5.283 0.999 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.940 3.705 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.025 3.304 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.198 4.371 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.733 1.666 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.062 2.812 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.369 2.658 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.887 2.181 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.206 2.477 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.634 1.394 0.531 1.00 0.00 H new ATOM 965 N PRO A 64 -1.803 6.723 2.030 1.00 0.00 N ATOM 966 CA PRO A 64 -0.897 7.759 2.535 1.00 0.00 C ATOM 967 C PRO A 64 0.502 7.220 2.815 1.00 0.00 C ATOM 968 O PRO A 64 0.659 6.152 3.407 1.00 0.00 O ATOM 969 CB PRO A 64 -1.565 8.213 3.835 1.00 0.00 C ATOM 970 CG PRO A 64 -2.377 7.043 4.272 1.00 0.00 C ATOM 971 CD PRO A 64 -2.842 6.367 3.011 1.00 0.00 C ATOM 0 HA PRO A 64 -0.753 8.561 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.824 8.484 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.191 9.091 3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.784 6.363 4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.224 7.361 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.920 5.287 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.825 6.724 2.703 1.00 0.00 H new ATOM 979 N SER A 65 1.515 7.965 2.386 1.00 0.00 N ATOM 980 CA SER A 65 2.901 7.560 2.588 1.00 0.00 C ATOM 981 C SER A 65 3.315 7.746 4.045 1.00 0.00 C ATOM 982 O SER A 65 3.937 6.868 4.641 1.00 0.00 O ATOM 983 CB SER A 65 3.829 8.366 1.677 1.00 0.00 C ATOM 984 OG SER A 65 5.189 8.135 2.000 1.00 0.00 O ATOM 0 H SER A 65 1.402 8.853 1.896 1.00 0.00 H new ATOM 0 HA SER A 65 2.984 6.503 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.648 8.095 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.605 9.428 1.773 1.00 0.00 H new ATOM 0 HG SER A 65 5.642 7.726 1.234 1.00 0.00 H new ATOM 990 N ASN A 66 2.963 8.896 4.611 1.00 0.00 N ATOM 991 CA ASN A 66 3.298 9.198 5.998 1.00 0.00 C ATOM 992 C ASN A 66 2.850 8.071 6.924 1.00 0.00 C ATOM 993 O ASN A 66 3.296 7.979 8.068 1.00 0.00 O ATOM 994 CB ASN A 66 2.646 10.514 6.426 1.00 0.00 C ATOM 995 CG ASN A 66 3.025 10.915 7.839 1.00 0.00 C ATOM 996 OD1 ASN A 66 3.875 10.285 8.468 1.00 0.00 O ATOM 997 ND2 ASN A 66 2.394 11.968 8.345 1.00 0.00 N ATOM 0 H ASN A 66 2.447 9.633 4.131 1.00 0.00 H new ATOM 0 HA ASN A 66 4.381 9.295 6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.941 11.304 5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.562 10.419 6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.607 12.284 9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.696 12.461 7.788 1.00 0.00 H new ATOM 1004 N TYR A 67 1.966 7.216 6.422 1.00 0.00 N ATOM 1005 CA TYR A 67 1.456 6.096 7.204 1.00 0.00 C ATOM 1006 C TYR A 67 2.369 4.880 7.073 1.00 0.00 C ATOM 1007 O TYR A 67 2.491 4.078 7.999 1.00 0.00 O ATOM 1008 CB TYR A 67 0.040 5.735 6.753 1.00 0.00 C ATOM 1009 CG TYR A 67 -1.025 6.653 7.310 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.980 8.022 7.077 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -2.074 6.152 8.070 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -1.950 8.865 7.584 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -3.049 6.987 8.580 1.00 0.00 C ATOM 1014 CZ TYR A 67 -2.983 8.343 8.335 1.00 0.00 C ATOM 1015 OH TYR A 67 -3.952 9.178 8.842 1.00 0.00 O ATOM 0 H TYR A 67 1.588 7.277 5.477 1.00 0.00 H new ATOM 0 HA TYR A 67 1.431 6.398 8.251 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.003 5.761 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.179 4.711 7.057 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.173 8.434 6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.128 5.091 8.266 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.900 9.927 7.394 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.859 6.580 9.168 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.607 8.651 9.346 1.00 0.00 H new ATOM 1025 N VAL A 68 3.009 4.751 5.915 1.00 0.00 N ATOM 1026 CA VAL A 68 3.912 3.635 5.661 1.00 0.00 C ATOM 1027 C VAL A 68 5.365 4.097 5.640 1.00 0.00 C ATOM 1028 O VAL A 68 5.647 5.293 5.702 1.00 0.00 O ATOM 1029 CB VAL A 68 3.586 2.941 4.326 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.106 2.596 4.250 1.00 0.00 C ATOM 1031 CG2 VAL A 68 3.997 3.820 3.155 1.00 0.00 C ATOM 0 H VAL A 68 2.919 5.406 5.138 1.00 0.00 H new ATOM 0 HA VAL A 68 3.772 2.924 6.475 1.00 0.00 H new ATOM 0 HB VAL A 68 4.154 2.012 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.895 2.106 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.846 1.926 5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.515 3.509 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.759 3.314 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.458 4.766 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.069 4.011 3.202 1.00 0.00 H new ATOM 1041 N ALA A 69 6.283 3.141 5.551 1.00 0.00 N ATOM 1042 CA ALA A 69 7.707 3.450 5.518 1.00 0.00 C ATOM 1043 C ALA A 69 8.471 2.431 4.679 1.00 0.00 C ATOM 1044 O ALA A 69 7.892 1.468 4.178 1.00 0.00 O ATOM 1045 CB ALA A 69 8.269 3.500 6.931 1.00 0.00 C ATOM 0 H ALA A 69 6.066 2.146 5.500 1.00 0.00 H new ATOM 0 HA ALA A 69 7.830 4.429 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.333 3.732 6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.751 4.271 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.126 2.533 7.414 1.00 0.00 H new ATOM 1051 N GLU A 70 9.774 2.651 4.531 1.00 0.00 N ATOM 1052 CA GLU A 70 10.616 1.751 3.751 1.00 0.00 C ATOM 1053 C GLU A 70 11.002 0.522 4.568 1.00 0.00 C ATOM 1054 O GLU A 70 11.862 0.593 5.447 1.00 0.00 O ATOM 1055 CB GLU A 70 11.876 2.479 3.277 1.00 0.00 C ATOM 1056 CG GLU A 70 12.556 1.810 2.095 1.00 0.00 C ATOM 1057 CD GLU A 70 13.999 2.248 1.928 1.00 0.00 C ATOM 1058 OE1 GLU A 70 14.242 3.470 1.845 1.00 0.00 O ATOM 1059 OE2 GLU A 70 14.884 1.368 1.880 1.00 0.00 O ATOM 0 H GLU A 70 10.269 3.443 4.940 1.00 0.00 H new ATOM 0 HA GLU A 70 10.046 1.423 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.614 3.501 3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.583 2.541 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.521 0.728 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.003 2.040 1.184 1.00 0.00 H new ATOM 1066 N ASP A 71 10.361 -0.603 4.272 1.00 0.00 N ATOM 1067 CA ASP A 71 10.637 -1.849 4.979 1.00 0.00 C ATOM 1068 C ASP A 71 11.687 -2.672 4.239 1.00 0.00 C ATOM 1069 O ASP A 71 11.766 -2.635 3.011 1.00 0.00 O ATOM 1070 CB ASP A 71 9.353 -2.664 5.140 1.00 0.00 C ATOM 1071 CG ASP A 71 9.364 -3.520 6.391 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.223 -3.281 7.265 1.00 0.00 O ATOM 1073 OD2 ASP A 71 8.514 -4.429 6.496 1.00 0.00 O ATOM 0 H ASP A 71 9.647 -0.678 3.548 1.00 0.00 H new ATOM 0 HA ASP A 71 11.026 -1.600 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.499 -1.988 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.220 -3.303 4.267 1.00 0.00 H new