USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 377 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2.07 X(o=-2.1,f=-2.2) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -1.43 USER MOD Single : A 21 LYS NZ :NH3+ -137:sc=-0.00648 (180deg=-0.0825) USER MOD Single : A 23 GLN : amide:sc= -4.69! K(o=-4.7!,f=0.2) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00454) USER MOD Single : A 29 ASN : amide:sc= -8.58! C(o=-8.6!,f=-15!) USER MOD Single : A 35 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.66) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 140:sc= -0.645 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -1.547 -9.548 -2.157 1.00 0.00 N ATOM 21 CA GLU A 2 -2.253 -8.888 -1.068 1.00 0.00 C ATOM 22 C GLU A 2 -1.266 -8.434 0.010 1.00 0.00 C ATOM 23 O GLU A 2 -0.274 -9.111 0.276 1.00 0.00 O ATOM 24 CB GLU A 2 -3.303 -9.792 -0.421 1.00 0.00 C ATOM 25 CG GLU A 2 -4.529 -10.019 -1.286 1.00 0.00 C ATOM 26 CD GLU A 2 -4.451 -11.306 -2.087 1.00 0.00 C ATOM 27 OE1 GLU A 2 -3.408 -11.543 -2.731 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.436 -12.077 -2.070 1.00 0.00 O ATOM 0 HA GLU A 2 -2.762 -8.029 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.848 -10.755 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.614 -9.352 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.416 -10.043 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.648 -9.178 -1.969 1.00 0.00 H new ATOM 35 N ALA A 3 -1.567 -7.308 0.644 1.00 0.00 N ATOM 36 CA ALA A 3 -0.706 -6.782 1.706 1.00 0.00 C ATOM 37 C ALA A 3 -1.508 -6.077 2.801 1.00 0.00 C ATOM 38 O ALA A 3 -2.705 -5.838 2.666 1.00 0.00 O ATOM 39 CB ALA A 3 0.316 -5.824 1.114 1.00 0.00 C ATOM 0 H ALA A 3 -2.393 -6.742 0.447 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.197 -7.629 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.954 -5.436 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.928 -6.351 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.200 -4.997 0.626 1.00 0.00 H new ATOM 45 N ILE A 4 -0.801 -5.746 3.888 1.00 0.00 N ATOM 46 CA ILE A 4 -1.426 -5.058 5.019 1.00 0.00 C ATOM 47 C ILE A 4 -0.549 -3.920 5.548 1.00 0.00 C ATOM 48 O ILE A 4 0.678 -4.048 5.638 1.00 0.00 O ATOM 49 CB ILE A 4 -1.826 -6.011 6.196 1.00 0.00 C ATOM 50 CG1 ILE A 4 -0.757 -6.097 7.309 1.00 0.00 C ATOM 51 CG2 ILE A 4 -2.175 -7.406 5.676 1.00 0.00 C ATOM 52 CD1 ILE A 4 0.419 -6.984 6.993 1.00 0.00 C ATOM 0 H ILE A 4 0.193 -5.942 4.006 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.350 -4.642 4.616 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.711 -5.568 6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.390 -5.092 7.518 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.232 -6.459 8.221 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.449 -8.048 6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.013 -7.337 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.312 -7.829 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.114 -6.980 7.833 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.070 -8.001 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.925 -6.613 6.102 1.00 0.00 H new ATOM 64 N ALA A 5 -1.203 -2.818 5.923 1.00 0.00 N ATOM 65 CA ALA A 5 -0.518 -1.648 6.470 1.00 0.00 C ATOM 66 C ALA A 5 0.008 -1.903 7.882 1.00 0.00 C ATOM 67 O ALA A 5 -0.765 -2.192 8.794 1.00 0.00 O ATOM 68 CB ALA A 5 -1.448 -0.446 6.464 1.00 0.00 C ATOM 0 H ALA A 5 -2.215 -2.713 5.856 1.00 0.00 H new ATOM 0 HA ALA A 5 0.342 -1.442 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.927 0.419 6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.759 -0.232 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.326 -0.662 7.073 1.00 0.00 H new ATOM 74 N LYS A 6 1.308 -1.728 8.072 1.00 0.00 N ATOM 75 CA LYS A 6 1.919 -1.887 9.396 1.00 0.00 C ATOM 76 C LYS A 6 1.825 -0.565 10.176 1.00 0.00 C ATOM 77 O LYS A 6 1.916 -0.537 11.403 1.00 0.00 O ATOM 78 CB LYS A 6 3.374 -2.385 9.247 1.00 0.00 C ATOM 79 CG LYS A 6 4.402 -1.743 10.179 1.00 0.00 C ATOM 80 CD LYS A 6 5.787 -1.728 9.546 1.00 0.00 C ATOM 81 CE LYS A 6 6.867 -2.111 10.546 1.00 0.00 C ATOM 82 NZ LYS A 6 8.024 -2.777 9.888 1.00 0.00 N ATOM 0 H LYS A 6 1.964 -1.476 7.332 1.00 0.00 H new ATOM 0 HA LYS A 6 1.378 -2.640 9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.387 -3.462 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.691 -2.216 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.096 -0.724 10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.436 -2.291 11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.810 -2.419 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.995 -0.734 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.211 -1.218 11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.445 -2.777 11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.737 -3.022 10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.701 -3.643 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.444 -2.132 9.188 1.00 0.00 H new ATOM 96 N HIS A 7 1.621 0.513 9.435 1.00 0.00 N ATOM 97 CA HIS A 7 1.493 1.838 10.036 1.00 0.00 C ATOM 98 C HIS A 7 0.650 2.732 9.141 1.00 0.00 C ATOM 99 O HIS A 7 0.042 2.290 8.166 1.00 0.00 O ATOM 100 CB HIS A 7 2.863 2.449 10.313 1.00 0.00 C ATOM 101 CG HIS A 7 3.527 1.852 11.520 1.00 0.00 C ATOM 102 ND1 HIS A 7 2.877 1.677 12.726 1.00 0.00 N ATOM 103 CD2 HIS A 7 4.780 1.369 11.698 1.00 0.00 C ATOM 104 CE1 HIS A 7 3.701 1.112 13.591 1.00 0.00 C ATOM 105 NE2 HIS A 7 4.861 0.914 12.993 1.00 0.00 N ATOM 0 H HIS A 7 1.540 0.500 8.418 1.00 0.00 H new ATOM 0 HA HIS A 7 0.987 1.742 10.997 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.503 2.306 9.443 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.755 3.524 10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.568 1.346 10.960 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.465 0.856 14.613 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.684 0.492 13.422 1.00 0.00 H new ATOM 114 N ASP A 8 0.498 3.965 9.623 1.00 0.00 N ATOM 115 CA ASP A 8 -0.360 4.937 8.955 1.00 0.00 C ATOM 116 C ASP A 8 0.400 5.594 7.815 1.00 0.00 C ATOM 117 O ASP A 8 1.609 5.814 7.910 1.00 0.00 O ATOM 118 CB ASP A 8 -0.841 6.010 9.941 1.00 0.00 C ATOM 119 CG ASP A 8 -1.219 5.444 11.298 1.00 0.00 C ATOM 120 OD1 ASP A 8 -0.306 5.069 12.061 1.00 0.00 O ATOM 121 OD2 ASP A 8 -2.427 5.384 11.602 1.00 0.00 O ATOM 0 H ASP A 8 0.955 4.311 10.467 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.231 4.414 8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.056 6.755 10.070 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.702 6.526 9.516 1.00 0.00 H new ATOM 126 N PHE A 9 -0.296 5.871 6.718 1.00 0.00 N ATOM 127 CA PHE A 9 0.367 6.472 5.572 1.00 0.00 C ATOM 128 C PHE A 9 -0.470 7.563 4.909 1.00 0.00 C ATOM 129 O PHE A 9 -1.561 7.309 4.402 1.00 0.00 O ATOM 130 CB PHE A 9 0.713 5.414 4.510 1.00 0.00 C ATOM 131 CG PHE A 9 0.722 5.907 3.083 1.00 0.00 C ATOM 132 CD1 PHE A 9 1.472 7.013 2.715 1.00 0.00 C ATOM 133 CD2 PHE A 9 -0.014 5.251 2.108 1.00 0.00 C ATOM 134 CE1 PHE A 9 1.480 7.457 1.405 1.00 0.00 C ATOM 135 CE2 PHE A 9 -0.002 5.693 0.797 1.00 0.00 C ATOM 136 CZ PHE A 9 0.746 6.793 0.448 1.00 0.00 C ATOM 0 H PHE A 9 -1.294 5.694 6.600 1.00 0.00 H new ATOM 0 HA PHE A 9 1.278 6.924 5.965 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.695 5.001 4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.003 4.596 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.056 7.534 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.603 4.386 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.062 8.325 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.580 5.174 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.758 7.136 -0.576 1.00 0.00 H new ATOM 146 N SER A 10 0.118 8.743 4.812 1.00 0.00 N ATOM 147 CA SER A 10 -0.494 9.865 4.124 1.00 0.00 C ATOM 148 C SER A 10 0.395 10.214 2.941 1.00 0.00 C ATOM 149 O SER A 10 1.607 10.383 3.075 1.00 0.00 O ATOM 150 CB SER A 10 -0.682 11.048 5.084 1.00 0.00 C ATOM 151 OG SER A 10 -1.282 10.637 6.302 1.00 0.00 O ATOM 0 H SER A 10 1.035 8.950 5.209 1.00 0.00 H new ATOM 0 HA SER A 10 -1.490 9.609 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.284 11.508 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.302 11.808 4.610 1.00 0.00 H new ATOM 0 HG SER A 10 -1.387 11.412 6.893 1.00 0.00 H new ATOM 157 N ALA A 11 -0.230 10.244 1.768 1.00 0.00 N ATOM 158 CA ALA A 11 0.457 10.478 0.511 1.00 0.00 C ATOM 159 C ALA A 11 1.320 11.719 0.523 1.00 0.00 C ATOM 160 O ALA A 11 0.977 12.741 1.117 1.00 0.00 O ATOM 161 CB ALA A 11 -0.576 10.605 -0.598 1.00 0.00 C ATOM 0 H ALA A 11 -1.235 10.105 1.667 1.00 0.00 H new ATOM 0 HA ALA A 11 1.121 9.630 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.071 10.781 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.157 9.685 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.242 11.440 -0.381 1.00 0.00 H new ATOM 167 N THR A 12 2.491 11.573 -0.089 1.00 0.00 N ATOM 168 CA THR A 12 3.463 12.644 -0.154 1.00 0.00 C ATOM 169 C THR A 12 3.546 13.166 -1.589 1.00 0.00 C ATOM 170 O THR A 12 4.349 14.039 -1.914 1.00 0.00 O ATOM 171 CB THR A 12 4.813 12.192 0.448 1.00 0.00 C ATOM 172 OG1 THR A 12 4.751 12.214 1.863 1.00 0.00 O ATOM 173 CG2 THR A 12 6.006 13.032 0.039 1.00 0.00 C ATOM 0 H THR A 12 2.786 10.712 -0.549 1.00 0.00 H new ATOM 0 HA THR A 12 3.150 13.487 0.461 1.00 0.00 H new ATOM 0 HB THR A 12 4.964 11.188 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.611 11.924 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.907 12.639 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.120 12.999 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.851 14.063 0.357 1.00 0.00 H new ATOM 181 N ALA A 13 2.652 12.651 -2.428 1.00 0.00 N ATOM 182 CA ALA A 13 2.563 13.066 -3.817 1.00 0.00 C ATOM 183 C ALA A 13 1.132 12.880 -4.318 1.00 0.00 C ATOM 184 O ALA A 13 0.304 12.251 -3.661 1.00 0.00 O ATOM 185 CB ALA A 13 3.556 12.264 -4.646 1.00 0.00 C ATOM 0 H ALA A 13 1.973 11.938 -2.162 1.00 0.00 H new ATOM 0 HA ALA A 13 2.815 14.122 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.492 12.573 -5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.566 12.442 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.322 11.202 -4.567 1.00 0.00 H new ATOM 191 N ASP A 14 0.847 13.486 -5.456 1.00 0.00 N ATOM 192 CA ASP A 14 -0.490 13.469 -6.038 1.00 0.00 C ATOM 193 C ASP A 14 -0.943 12.086 -6.473 1.00 0.00 C ATOM 194 O ASP A 14 -2.142 11.821 -6.574 1.00 0.00 O ATOM 195 CB ASP A 14 -0.543 14.436 -7.225 1.00 0.00 C ATOM 196 CG ASP A 14 -1.935 14.565 -7.817 1.00 0.00 C ATOM 197 OD1 ASP A 14 -2.807 15.171 -7.161 1.00 0.00 O ATOM 198 OD2 ASP A 14 -2.149 14.064 -8.941 1.00 0.00 O ATOM 0 H ASP A 14 1.532 14.004 -6.005 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.180 13.785 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.198 15.418 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.145 14.094 -7.998 1.00 0.00 H new ATOM 203 N ASP A 15 0.007 11.248 -6.828 1.00 0.00 N ATOM 204 CA ASP A 15 -0.306 9.925 -7.335 1.00 0.00 C ATOM 205 C ASP A 15 -0.313 8.813 -6.278 1.00 0.00 C ATOM 206 O ASP A 15 -0.208 7.629 -6.596 1.00 0.00 O ATOM 207 CB ASP A 15 0.709 9.557 -8.421 1.00 0.00 C ATOM 208 CG ASP A 15 0.079 9.480 -9.797 1.00 0.00 C ATOM 209 OD1 ASP A 15 -0.682 10.404 -10.153 1.00 0.00 O ATOM 210 OD2 ASP A 15 0.345 8.495 -10.518 1.00 0.00 O ATOM 0 H ASP A 15 1.004 11.457 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.324 9.987 -7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.510 10.296 -8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.165 8.597 -8.179 1.00 0.00 H new ATOM 215 N GLU A 16 -0.419 9.232 -5.002 1.00 0.00 N ATOM 216 CA GLU A 16 -0.423 8.319 -3.861 1.00 0.00 C ATOM 217 C GLU A 16 -1.773 8.285 -3.138 1.00 0.00 C ATOM 218 O GLU A 16 -2.612 9.170 -3.301 1.00 0.00 O ATOM 219 CB GLU A 16 0.675 8.721 -2.874 1.00 0.00 C ATOM 220 CG GLU A 16 2.078 8.401 -3.359 1.00 0.00 C ATOM 221 CD GLU A 16 3.156 9.019 -2.491 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.470 8.439 -1.432 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.688 10.078 -2.870 1.00 0.00 O ATOM 0 H GLU A 16 -0.504 10.215 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.237 7.318 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.603 9.791 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.503 8.212 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.212 7.319 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.194 8.758 -4.383 1.00 0.00 H new ATOM 230 N LEU A 17 -1.931 7.267 -2.297 1.00 0.00 N ATOM 231 CA LEU A 17 -3.160 7.125 -1.513 1.00 0.00 C ATOM 232 C LEU A 17 -2.894 7.354 -0.019 1.00 0.00 C ATOM 233 O LEU A 17 -1.978 8.095 0.342 1.00 0.00 O ATOM 234 CB LEU A 17 -3.794 5.750 -1.767 1.00 0.00 C ATOM 235 CG LEU A 17 -2.836 4.560 -1.740 1.00 0.00 C ATOM 236 CD1 LEU A 17 -2.513 4.167 -0.308 1.00 0.00 C ATOM 237 CD2 LEU A 17 -3.434 3.383 -2.492 1.00 0.00 C ATOM 0 H LEU A 17 -1.236 6.537 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.866 7.890 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.569 5.585 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.288 5.773 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.909 4.852 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.830 3.318 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.046 5.008 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.432 3.892 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.740 2.543 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.375 3.092 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.617 3.668 -3.528 1.00 0.00 H new ATOM 249 N SER A 18 -3.675 6.704 0.850 1.00 0.00 N ATOM 250 CA SER A 18 -3.500 6.827 2.291 1.00 0.00 C ATOM 251 C SER A 18 -3.989 5.549 2.971 1.00 0.00 C ATOM 252 O SER A 18 -4.821 4.840 2.420 1.00 0.00 O ATOM 253 CB SER A 18 -4.271 8.026 2.848 1.00 0.00 C ATOM 254 OG SER A 18 -3.440 9.169 2.940 1.00 0.00 O ATOM 0 H SER A 18 -4.437 6.085 0.573 1.00 0.00 H new ATOM 0 HA SER A 18 -2.440 6.981 2.493 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.124 8.244 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.668 7.781 3.833 1.00 0.00 H new ATOM 0 HG SER A 18 -3.957 9.921 3.297 1.00 0.00 H new ATOM 260 N PHE A 19 -3.464 5.239 4.151 1.00 0.00 N ATOM 261 CA PHE A 19 -3.857 4.016 4.853 1.00 0.00 C ATOM 262 C PHE A 19 -3.457 4.070 6.327 1.00 0.00 C ATOM 263 O PHE A 19 -2.648 4.899 6.733 1.00 0.00 O ATOM 264 CB PHE A 19 -3.200 2.821 4.162 1.00 0.00 C ATOM 265 CG PHE A 19 -4.105 1.638 3.955 1.00 0.00 C ATOM 266 CD1 PHE A 19 -5.391 1.801 3.487 1.00 0.00 C ATOM 267 CD2 PHE A 19 -3.652 0.361 4.218 1.00 0.00 C ATOM 268 CE1 PHE A 19 -6.214 0.706 3.281 1.00 0.00 C ATOM 269 CE2 PHE A 19 -4.464 -0.739 4.019 1.00 0.00 C ATOM 270 CZ PHE A 19 -5.749 -0.566 3.550 1.00 0.00 C ATOM 0 H PHE A 19 -2.773 5.808 4.640 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.942 3.915 4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.819 3.144 3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.341 2.505 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.761 2.794 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.646 0.219 4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.219 0.847 2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.093 -1.731 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.389 -1.422 3.394 1.00 0.00 H new ATOM 280 N ARG A 20 -4.054 3.196 7.127 1.00 0.00 N ATOM 281 CA ARG A 20 -3.796 3.150 8.563 1.00 0.00 C ATOM 282 C ARG A 20 -3.332 1.762 9.007 1.00 0.00 C ATOM 283 O ARG A 20 -3.599 0.761 8.344 1.00 0.00 O ATOM 284 CB ARG A 20 -5.066 3.546 9.326 1.00 0.00 C ATOM 285 CG ARG A 20 -4.810 4.519 10.465 1.00 0.00 C ATOM 286 CD ARG A 20 -5.772 5.695 10.428 1.00 0.00 C ATOM 287 NE ARG A 20 -5.235 6.819 9.663 1.00 0.00 N ATOM 288 CZ ARG A 20 -4.510 7.804 10.192 1.00 0.00 C ATOM 289 NH1 ARG A 20 -4.229 7.812 11.492 1.00 0.00 N ATOM 290 NH2 ARG A 20 -4.061 8.785 9.420 1.00 0.00 N ATOM 0 H ARG A 20 -4.727 2.502 6.802 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.995 3.855 8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.775 3.993 8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.536 2.647 9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.909 3.998 11.417 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.785 4.885 10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.717 5.376 9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.987 6.019 11.446 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.427 6.851 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.569 7.060 12.092 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.673 8.570 11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.271 8.785 8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.506 9.539 9.825 1.00 0.00 H new ATOM 304 N LYS A 21 -2.642 1.728 10.145 1.00 0.00 N ATOM 305 CA LYS A 21 -2.130 0.486 10.726 1.00 0.00 C ATOM 306 C LYS A 21 -3.261 -0.532 10.900 1.00 0.00 C ATOM 307 O LYS A 21 -4.317 -0.225 11.451 1.00 0.00 O ATOM 308 CB LYS A 21 -1.403 0.827 12.049 1.00 0.00 C ATOM 309 CG LYS A 21 -1.798 0.007 13.278 1.00 0.00 C ATOM 310 CD LYS A 21 -3.041 0.547 13.983 1.00 0.00 C ATOM 311 CE LYS A 21 -3.034 2.066 14.121 1.00 0.00 C ATOM 312 NZ LYS A 21 -1.805 2.571 14.795 1.00 0.00 N ATOM 0 H LYS A 21 -2.421 2.560 10.692 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.408 0.014 10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.331 0.707 11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.577 1.880 12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.978 -1.025 12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.965 -0.007 13.981 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.928 0.242 13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.114 0.098 14.973 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.114 2.518 13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.911 2.380 14.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.064 3.308 15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.334 1.787 15.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.159 2.971 14.085 1.00 0.00 H new ATOM 326 N GLY A 22 -3.002 -1.763 10.447 1.00 0.00 N ATOM 327 CA GLY A 22 -3.974 -2.839 10.566 1.00 0.00 C ATOM 328 C GLY A 22 -4.817 -3.056 9.320 1.00 0.00 C ATOM 329 O GLY A 22 -5.466 -4.095 9.193 1.00 0.00 O ATOM 0 H GLY A 22 -2.127 -2.032 9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.448 -3.764 10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.635 -2.625 11.406 1.00 0.00 H new ATOM 333 N GLN A 23 -4.831 -2.097 8.400 1.00 0.00 N ATOM 334 CA GLN A 23 -5.649 -2.237 7.196 1.00 0.00 C ATOM 335 C GLN A 23 -5.015 -3.078 6.084 1.00 0.00 C ATOM 336 O GLN A 23 -3.822 -3.377 6.125 1.00 0.00 O ATOM 337 CB GLN A 23 -6.006 -0.882 6.592 1.00 0.00 C ATOM 338 CG GLN A 23 -6.575 0.089 7.612 1.00 0.00 C ATOM 339 CD GLN A 23 -7.455 1.154 6.987 1.00 0.00 C ATOM 340 OE1 GLN A 23 -8.651 0.955 6.796 1.00 0.00 O ATOM 341 NE2 GLN A 23 -6.863 2.293 6.667 1.00 0.00 N ATOM 0 H GLN A 23 -4.297 -1.230 8.460 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.536 -2.759 7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.115 -0.446 6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.732 -1.027 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.154 -0.466 8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.755 0.570 8.145 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.866 2.417 6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.404 3.048 6.244 1.00 0.00 H new ATOM 350 N ILE A 24 -5.836 -3.517 5.131 1.00 0.00 N ATOM 351 CA ILE A 24 -5.365 -4.373 4.043 1.00 0.00 C ATOM 352 C ILE A 24 -5.264 -3.635 2.703 1.00 0.00 C ATOM 353 O ILE A 24 -6.275 -3.317 2.077 1.00 0.00 O ATOM 354 CB ILE A 24 -6.291 -5.596 3.881 1.00 0.00 C ATOM 355 CG1 ILE A 24 -5.760 -6.553 2.798 1.00 0.00 C ATOM 356 CG2 ILE A 24 -7.720 -5.150 3.588 1.00 0.00 C ATOM 357 CD1 ILE A 24 -6.110 -6.169 1.373 1.00 0.00 C ATOM 0 H ILE A 24 -6.831 -3.294 5.090 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.361 -4.694 4.319 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.301 -6.147 4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.675 -6.611 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.150 -7.552 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.359 -6.026 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.086 -4.536 4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.738 -4.569 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.692 -6.904 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.194 -6.141 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.696 -5.186 1.149 1.00 0.00 H new ATOM 369 N LEU A 25 -4.029 -3.376 2.272 1.00 0.00 N ATOM 370 CA LEU A 25 -3.768 -2.692 1.004 1.00 0.00 C ATOM 371 C LEU A 25 -3.506 -3.721 -0.094 1.00 0.00 C ATOM 372 O LEU A 25 -2.758 -4.675 0.121 1.00 0.00 O ATOM 373 CB LEU A 25 -2.539 -1.780 1.138 1.00 0.00 C ATOM 374 CG LEU A 25 -2.829 -0.287 1.291 1.00 0.00 C ATOM 375 CD1 LEU A 25 -1.536 0.504 1.364 1.00 0.00 C ATOM 376 CD2 LEU A 25 -3.702 0.213 0.156 1.00 0.00 C ATOM 0 H LEU A 25 -3.187 -3.632 2.787 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.640 -2.091 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.960 -2.108 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.909 -1.920 0.259 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.373 -0.140 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.764 1.564 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.952 0.169 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.962 0.348 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.895 1.278 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.192 0.051 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.647 -0.330 0.158 1.00 0.00 H new ATOM 388 N LYS A 26 -4.090 -3.527 -1.276 1.00 0.00 N ATOM 389 CA LYS A 26 -3.887 -4.464 -2.383 1.00 0.00 C ATOM 390 C LYS A 26 -2.726 -4.032 -3.273 1.00 0.00 C ATOM 391 O LYS A 26 -2.783 -2.981 -3.912 1.00 0.00 O ATOM 392 CB LYS A 26 -5.170 -4.582 -3.212 1.00 0.00 C ATOM 393 CG LYS A 26 -6.192 -5.552 -2.641 1.00 0.00 C ATOM 394 CD LYS A 26 -5.597 -6.937 -2.423 1.00 0.00 C ATOM 395 CE LYS A 26 -5.715 -7.798 -3.670 1.00 0.00 C ATOM 396 NZ LYS A 26 -7.089 -8.340 -3.844 1.00 0.00 N ATOM 0 H LYS A 26 -4.701 -2.739 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.640 -5.437 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.628 -3.596 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.909 -4.899 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.570 -5.166 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.043 -5.624 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.548 -6.843 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.106 -7.426 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.445 -7.207 -4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.005 -8.623 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.110 -8.975 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.364 -8.868 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.755 -7.556 -3.995 1.00 0.00 H new ATOM 410 N ILE A 27 -1.742 -4.918 -3.432 1.00 0.00 N ATOM 411 CA ILE A 27 -0.610 -4.650 -4.311 1.00 0.00 C ATOM 412 C ILE A 27 -0.925 -5.007 -5.762 1.00 0.00 C ATOM 413 O ILE A 27 -1.506 -6.052 -6.053 1.00 0.00 O ATOM 414 CB ILE A 27 0.650 -5.429 -3.867 1.00 0.00 C ATOM 415 CG1 ILE A 27 0.849 -5.312 -2.349 1.00 0.00 C ATOM 416 CG2 ILE A 27 1.876 -4.918 -4.609 1.00 0.00 C ATOM 417 CD1 ILE A 27 2.090 -6.017 -1.841 1.00 0.00 C ATOM 0 H ILE A 27 -1.708 -5.824 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.415 -3.580 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 27 0.511 -6.482 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.905 -4.257 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.025 -5.724 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.755 -5.476 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.735 -5.052 -5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.018 -3.859 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.164 -5.891 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.028 -7.079 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.972 -5.589 -2.317 1.00 0.00 H new ATOM 429 N LEU A 28 -0.525 -4.116 -6.661 1.00 0.00 N ATOM 430 CA LEU A 28 -0.733 -4.287 -8.097 1.00 0.00 C ATOM 431 C LEU A 28 0.575 -4.040 -8.845 1.00 0.00 C ATOM 432 O LEU A 28 0.907 -4.743 -9.798 1.00 0.00 O ATOM 433 CB LEU A 28 -1.811 -3.317 -8.618 1.00 0.00 C ATOM 434 CG LEU A 28 -2.500 -2.437 -7.563 1.00 0.00 C ATOM 435 CD1 LEU A 28 -2.600 -0.996 -8.047 1.00 0.00 C ATOM 436 CD2 LEU A 28 -3.883 -2.984 -7.234 1.00 0.00 C ATOM 0 H LEU A 28 -0.045 -3.250 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.070 -5.309 -8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.354 -2.665 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.576 -3.899 -9.131 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.896 -2.453 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.091 -0.390 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.600 -0.605 -8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.181 -0.961 -8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.357 -2.349 -6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.493 -2.998 -8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.790 -3.997 -6.844 1.00 0.00 H new ATOM 448 N ASN A 29 1.312 -3.037 -8.381 1.00 0.00 N ATOM 449 CA ASN A 29 2.588 -2.668 -8.979 1.00 0.00 C ATOM 450 C ASN A 29 3.485 -1.989 -7.948 1.00 0.00 C ATOM 451 O ASN A 29 3.008 -1.192 -7.143 1.00 0.00 O ATOM 452 CB ASN A 29 2.352 -1.724 -10.164 1.00 0.00 C ATOM 453 CG ASN A 29 1.387 -0.603 -9.847 1.00 0.00 C ATOM 454 OD1 ASN A 29 0.295 -0.835 -9.326 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.786 0.623 -10.161 1.00 0.00 N ATOM 0 H ASN A 29 1.043 -2.460 -7.584 1.00 0.00 H new ATOM 0 HA ASN A 29 3.084 -3.573 -9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.305 -1.297 -10.476 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.968 -2.298 -11.007 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.179 1.421 -9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.699 0.768 -10.591 1.00 0.00 H new ATOM 529 N ASN A 35 11.493 1.406 -3.190 1.00 0.00 N ATOM 530 CA ASN A 35 11.105 2.184 -2.005 1.00 0.00 C ATOM 531 C ASN A 35 9.675 2.725 -2.028 1.00 0.00 C ATOM 532 O ASN A 35 9.261 3.404 -1.088 1.00 0.00 O ATOM 533 CB ASN A 35 12.102 3.319 -1.754 1.00 0.00 C ATOM 534 CG ASN A 35 11.949 3.933 -0.378 1.00 0.00 C ATOM 535 OD1 ASN A 35 11.839 3.225 0.623 1.00 0.00 O ATOM 536 ND2 ASN A 35 11.943 5.260 -0.321 1.00 0.00 N ATOM 0 HA ASN A 35 11.130 1.473 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.117 2.938 -1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.965 4.092 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.844 5.731 0.578 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.037 5.808 -1.176 1.00 0.00 H new ATOM 543 N TRP A 36 8.927 2.451 -3.081 1.00 0.00 N ATOM 544 CA TRP A 36 7.551 2.926 -3.174 1.00 0.00 C ATOM 545 C TRP A 36 6.705 1.851 -3.841 1.00 0.00 C ATOM 546 O TRP A 36 7.142 1.252 -4.820 1.00 0.00 O ATOM 547 CB TRP A 36 7.484 4.214 -3.998 1.00 0.00 C ATOM 548 CG TRP A 36 8.261 5.349 -3.402 1.00 0.00 C ATOM 549 CD1 TRP A 36 9.466 5.830 -3.829 1.00 0.00 C ATOM 550 CD2 TRP A 36 7.886 6.152 -2.276 1.00 0.00 C ATOM 551 NE1 TRP A 36 9.865 6.879 -3.035 1.00 0.00 N ATOM 552 CE2 TRP A 36 8.912 7.095 -2.074 1.00 0.00 C ATOM 553 CE3 TRP A 36 6.783 6.165 -1.419 1.00 0.00 C ATOM 554 CZ2 TRP A 36 8.867 8.037 -1.049 1.00 0.00 C ATOM 555 CZ3 TRP A 36 6.741 7.100 -0.402 1.00 0.00 C ATOM 556 CH2 TRP A 36 7.776 8.026 -0.226 1.00 0.00 C ATOM 0 H TRP A 36 9.243 1.905 -3.882 1.00 0.00 H new ATOM 0 HA TRP A 36 7.174 3.135 -2.173 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.861 4.014 -5.001 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.441 4.514 -4.103 1.00 0.00 H new ATOM 0 HD1 TRP A 36 10.024 5.443 -4.668 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.729 7.410 -3.143 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.978 5.457 -1.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.666 8.751 -0.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.895 7.117 0.269 1.00 0.00 H new ATOM 0 HH2 TRP A 36 7.711 8.746 0.576 1.00 0.00 H new ATOM 567 N TYR A 37 5.512 1.572 -3.318 1.00 0.00 N ATOM 568 CA TYR A 37 4.659 0.536 -3.893 1.00 0.00 C ATOM 569 C TYR A 37 3.268 1.074 -4.213 1.00 0.00 C ATOM 570 O TYR A 37 2.728 1.904 -3.484 1.00 0.00 O ATOM 571 CB TYR A 37 4.555 -0.654 -2.937 1.00 0.00 C ATOM 572 CG TYR A 37 5.627 -1.703 -3.151 1.00 0.00 C ATOM 573 CD1 TYR A 37 6.963 -1.345 -3.284 1.00 0.00 C ATOM 574 CD2 TYR A 37 5.302 -3.052 -3.219 1.00 0.00 C ATOM 575 CE1 TYR A 37 7.943 -2.297 -3.482 1.00 0.00 C ATOM 576 CE2 TYR A 37 6.278 -4.012 -3.415 1.00 0.00 C ATOM 577 CZ TYR A 37 7.596 -3.628 -3.546 1.00 0.00 C ATOM 578 OH TYR A 37 8.570 -4.580 -3.741 1.00 0.00 O ATOM 0 H TYR A 37 5.118 2.045 -2.505 1.00 0.00 H new ATOM 0 HA TYR A 37 5.116 0.208 -4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.614 -0.291 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.576 -1.119 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.240 -0.302 -3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.271 -3.356 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.976 -1.999 -3.586 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.009 -5.057 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 37 8.159 -5.469 -3.761 1.00 0.00 H new ATOM 588 N ARG A 38 2.696 0.592 -5.313 1.00 0.00 N ATOM 589 CA ARG A 38 1.371 1.022 -5.743 1.00 0.00 C ATOM 590 C ARG A 38 0.288 0.038 -5.301 1.00 0.00 C ATOM 591 O ARG A 38 0.330 -1.140 -5.656 1.00 0.00 O ATOM 592 CB ARG A 38 1.341 1.172 -7.265 1.00 0.00 C ATOM 593 CG ARG A 38 0.207 2.052 -7.771 1.00 0.00 C ATOM 594 CD ARG A 38 0.726 3.224 -8.591 1.00 0.00 C ATOM 595 NE ARG A 38 -0.263 3.688 -9.566 1.00 0.00 N ATOM 596 CZ ARG A 38 -0.401 4.959 -9.941 1.00 0.00 C ATOM 597 NH1 ARG A 38 0.394 5.898 -9.443 1.00 0.00 N ATOM 598 NH2 ARG A 38 -1.336 5.290 -10.821 1.00 0.00 N ATOM 0 H ARG A 38 3.132 -0.099 -5.924 1.00 0.00 H new ATOM 0 HA ARG A 38 1.164 1.984 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.290 1.591 -7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.252 0.184 -7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.473 1.455 -8.379 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.368 2.427 -6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.991 4.044 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.637 2.928 -9.111 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.885 2.996 -9.984 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.117 5.649 -8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.282 6.869 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.948 4.572 -11.209 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.443 6.262 -11.110 1.00 0.00 H new ATOM 612 N ALA A 39 -0.741 0.549 -4.630 1.00 0.00 N ATOM 613 CA ALA A 39 -1.859 -0.293 -4.205 1.00 0.00 C ATOM 614 C ALA A 39 -3.197 0.435 -4.287 1.00 0.00 C ATOM 615 O ALA A 39 -3.258 1.619 -4.616 1.00 0.00 O ATOM 616 CB ALA A 39 -1.625 -0.792 -2.788 1.00 0.00 C ATOM 0 H ALA A 39 -0.825 1.532 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.907 -1.139 -4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.462 -1.418 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.705 -1.375 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.540 0.059 -2.112 1.00 0.00 H new ATOM 622 N GLU A 40 -4.266 -0.292 -3.969 1.00 0.00 N ATOM 623 CA GLU A 40 -5.615 0.265 -3.984 1.00 0.00 C ATOM 624 C GLU A 40 -6.285 0.093 -2.619 1.00 0.00 C ATOM 625 O GLU A 40 -6.039 -0.896 -1.919 1.00 0.00 O ATOM 626 CB GLU A 40 -6.510 -0.443 -5.007 1.00 0.00 C ATOM 627 CG GLU A 40 -6.577 -1.949 -4.835 1.00 0.00 C ATOM 628 CD GLU A 40 -7.998 -2.475 -4.865 1.00 0.00 C ATOM 629 OE1 GLU A 40 -8.707 -2.326 -3.848 1.00 0.00 O ATOM 630 OE2 GLU A 40 -8.404 -3.033 -5.907 1.00 0.00 O ATOM 0 H GLU A 40 -4.222 -1.274 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.508 1.318 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.518 -0.035 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.145 -0.219 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.999 -2.428 -5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.111 -2.224 -3.889 1.00 0.00 H new ATOM 637 N LEU A 41 -7.160 1.035 -2.266 1.00 0.00 N ATOM 638 CA LEU A 41 -7.911 0.982 -1.015 1.00 0.00 C ATOM 639 C LEU A 41 -9.229 1.745 -1.180 1.00 0.00 C ATOM 640 O LEU A 41 -9.276 2.786 -1.835 1.00 0.00 O ATOM 641 CB LEU A 41 -7.090 1.540 0.154 1.00 0.00 C ATOM 642 CG LEU A 41 -6.991 3.066 0.242 1.00 0.00 C ATOM 643 CD1 LEU A 41 -7.394 3.545 1.629 1.00 0.00 C ATOM 644 CD2 LEU A 41 -5.581 3.524 -0.095 1.00 0.00 C ATOM 0 H LEU A 41 -7.367 1.853 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.130 -0.060 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.522 1.170 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.080 1.134 0.088 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.677 3.502 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.318 4.631 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.421 3.244 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.731 3.103 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.526 4.611 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.877 3.081 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.328 3.209 -1.108 1.00 0.00 H new ATOM 656 N ASP A 42 -10.313 1.141 -0.698 1.00 0.00 N ATOM 657 CA ASP A 42 -11.655 1.713 -0.844 1.00 0.00 C ATOM 658 C ASP A 42 -11.977 2.084 -2.295 1.00 0.00 C ATOM 659 O ASP A 42 -12.773 2.989 -2.549 1.00 0.00 O ATOM 660 CB ASP A 42 -11.806 2.945 0.049 1.00 0.00 C ATOM 661 CG ASP A 42 -11.929 2.582 1.516 1.00 0.00 C ATOM 662 OD1 ASP A 42 -10.893 2.266 2.138 1.00 0.00 O ATOM 663 OD2 ASP A 42 -13.061 2.613 2.043 1.00 0.00 O ATOM 0 H ASP A 42 -10.290 0.251 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.364 0.944 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.945 3.599 -0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.687 3.508 -0.259 1.00 0.00 H new ATOM 668 N GLY A 43 -11.367 1.379 -3.241 1.00 0.00 N ATOM 669 CA GLY A 43 -11.615 1.650 -4.649 1.00 0.00 C ATOM 670 C GLY A 43 -10.753 2.771 -5.202 1.00 0.00 C ATOM 671 O GLY A 43 -11.043 3.313 -6.269 1.00 0.00 O ATOM 0 H GLY A 43 -10.705 0.624 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.433 0.742 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.666 1.908 -4.783 1.00 0.00 H new ATOM 675 N LYS A 44 -9.720 3.153 -4.459 1.00 0.00 N ATOM 676 CA LYS A 44 -8.827 4.228 -4.879 1.00 0.00 C ATOM 677 C LYS A 44 -7.416 3.680 -5.051 1.00 0.00 C ATOM 678 O LYS A 44 -6.946 2.904 -4.222 1.00 0.00 O ATOM 679 CB LYS A 44 -8.815 5.346 -3.833 1.00 0.00 C ATOM 680 CG LYS A 44 -10.200 5.774 -3.377 1.00 0.00 C ATOM 681 CD LYS A 44 -10.709 6.964 -4.179 1.00 0.00 C ATOM 682 CE LYS A 44 -10.931 8.181 -3.296 1.00 0.00 C ATOM 683 NZ LYS A 44 -9.684 8.974 -3.116 1.00 0.00 N ATOM 0 H LYS A 44 -9.480 2.733 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.183 4.632 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.244 5.014 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.295 6.211 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.893 4.939 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.172 6.033 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.992 7.209 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.643 6.697 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.702 8.813 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.300 7.860 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.879 9.795 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.955 8.379 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.345 9.303 -4.043 1.00 0.00 H new ATOM 697 N GLU A 45 -6.724 4.116 -6.101 1.00 0.00 N ATOM 698 CA GLU A 45 -5.362 3.661 -6.361 1.00 0.00 C ATOM 699 C GLU A 45 -4.335 4.782 -6.229 1.00 0.00 C ATOM 700 O GLU A 45 -4.551 5.903 -6.690 1.00 0.00 O ATOM 701 CB GLU A 45 -5.278 3.051 -7.763 1.00 0.00 C ATOM 702 CG GLU A 45 -5.684 4.010 -8.874 1.00 0.00 C ATOM 703 CD GLU A 45 -6.483 3.331 -9.969 1.00 0.00 C ATOM 704 OE1 GLU A 45 -5.967 2.367 -10.572 1.00 0.00 O ATOM 705 OE2 GLU A 45 -7.628 3.764 -10.223 1.00 0.00 O ATOM 0 H GLU A 45 -7.084 4.783 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.124 2.911 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.257 2.713 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.917 2.169 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.274 4.822 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.790 4.458 -9.307 1.00 0.00 H new ATOM 712 N GLY A 46 -3.194 4.434 -5.638 1.00 0.00 N ATOM 713 CA GLY A 46 -2.113 5.392 -5.468 1.00 0.00 C ATOM 714 C GLY A 46 -0.865 4.754 -4.884 1.00 0.00 C ATOM 715 O GLY A 46 -0.948 3.776 -4.141 1.00 0.00 O ATOM 0 H GLY A 46 -2.998 3.502 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.872 5.840 -6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.445 6.199 -4.815 1.00 0.00 H new ATOM 719 N LEU A 47 0.269 5.419 -5.080 1.00 0.00 N ATOM 720 CA LEU A 47 1.535 4.980 -4.505 1.00 0.00 C ATOM 721 C LEU A 47 1.544 5.038 -2.970 1.00 0.00 C ATOM 722 O LEU A 47 0.831 5.828 -2.351 1.00 0.00 O ATOM 723 CB LEU A 47 2.675 5.839 -5.052 1.00 0.00 C ATOM 724 CG LEU A 47 3.448 5.210 -6.212 1.00 0.00 C ATOM 725 CD1 LEU A 47 3.252 6.013 -7.491 1.00 0.00 C ATOM 726 CD2 LEU A 47 4.926 5.099 -5.871 1.00 0.00 C ATOM 0 H LEU A 47 0.336 6.271 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 47 1.670 3.937 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.266 6.794 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.372 6.052 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 47 3.057 4.206 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.811 5.547 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.193 6.037 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.612 7.031 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.460 4.649 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.330 6.092 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.049 4.476 -4.985 1.00 0.00 H new ATOM 738 N ILE A 48 2.384 4.188 -2.390 1.00 0.00 N ATOM 739 CA ILE A 48 2.538 4.111 -0.932 1.00 0.00 C ATOM 740 C ILE A 48 4.007 3.984 -0.548 1.00 0.00 C ATOM 741 O ILE A 48 4.777 3.362 -1.279 1.00 0.00 O ATOM 742 CB ILE A 48 1.788 2.890 -0.356 1.00 0.00 C ATOM 743 CG1 ILE A 48 0.386 2.788 -0.944 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.724 2.964 1.159 1.00 0.00 C ATOM 745 CD1 ILE A 48 0.088 1.441 -1.545 1.00 0.00 C ATOM 0 H ILE A 48 2.975 3.536 -2.907 1.00 0.00 H new ATOM 0 HA ILE A 48 2.120 5.030 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 48 2.342 1.993 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.344 2.999 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.264 3.554 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.191 2.094 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.735 2.979 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.199 3.872 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.926 1.437 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.796 1.236 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.178 0.672 -0.778 1.00 0.00 H new ATOM 757 N PRO A 49 4.438 4.535 0.613 1.00 0.00 N ATOM 758 CA PRO A 49 5.824 4.401 1.027 1.00 0.00 C ATOM 759 C PRO A 49 6.049 2.952 1.447 1.00 0.00 C ATOM 760 O PRO A 49 5.430 2.468 2.392 1.00 0.00 O ATOM 761 CB PRO A 49 5.966 5.384 2.188 1.00 0.00 C ATOM 762 CG PRO A 49 4.591 5.483 2.753 1.00 0.00 C ATOM 763 CD PRO A 49 3.639 5.280 1.601 1.00 0.00 C ATOM 0 HA PRO A 49 6.560 4.622 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.677 5.023 2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.327 6.354 1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.433 4.729 3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.433 6.455 3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.756 4.719 1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.290 6.231 1.198 1.00 0.00 H new ATOM 771 N SER A 50 6.891 2.256 0.702 1.00 0.00 N ATOM 772 CA SER A 50 7.156 0.832 0.922 1.00 0.00 C ATOM 773 C SER A 50 7.502 0.421 2.361 1.00 0.00 C ATOM 774 O SER A 50 7.254 -0.707 2.786 1.00 0.00 O ATOM 775 CB SER A 50 8.262 0.348 -0.017 1.00 0.00 C ATOM 776 OG SER A 50 9.525 0.863 0.370 1.00 0.00 O ATOM 0 H SER A 50 7.415 2.657 -0.076 1.00 0.00 H new ATOM 0 HA SER A 50 6.202 0.350 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.294 -0.742 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.037 0.657 -1.038 1.00 0.00 H new ATOM 0 HG SER A 50 10.208 0.167 0.267 1.00 0.00 H new ATOM 782 N ASN A 51 8.011 1.395 3.105 1.00 0.00 N ATOM 783 CA ASN A 51 8.378 1.209 4.514 1.00 0.00 C ATOM 784 C ASN A 51 7.166 1.140 5.460 1.00 0.00 C ATOM 785 O ASN A 51 7.294 0.675 6.592 1.00 0.00 O ATOM 786 CB ASN A 51 9.288 2.356 4.951 1.00 0.00 C ATOM 787 CG ASN A 51 10.384 1.903 5.894 1.00 0.00 C ATOM 788 OD1 ASN A 51 10.180 1.814 7.105 1.00 0.00 O ATOM 789 ND2 ASN A 51 11.556 1.616 5.342 1.00 0.00 N ATOM 0 H ASN A 51 8.183 2.337 2.754 1.00 0.00 H new ATOM 0 HA ASN A 51 8.888 0.248 4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.738 2.814 4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.689 3.125 5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.333 1.307 5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.680 1.704 4.333 1.00 0.00 H new ATOM 796 N TYR A 52 6.003 1.609 5.011 1.00 0.00 N ATOM 797 CA TYR A 52 4.803 1.613 5.862 1.00 0.00 C ATOM 798 C TYR A 52 3.855 0.431 5.603 1.00 0.00 C ATOM 799 O TYR A 52 2.747 0.397 6.146 1.00 0.00 O ATOM 800 CB TYR A 52 4.042 2.931 5.676 1.00 0.00 C ATOM 801 CG TYR A 52 4.637 4.106 6.445 1.00 0.00 C ATOM 802 CD1 TYR A 52 5.823 3.982 7.170 1.00 0.00 C ATOM 803 CD2 TYR A 52 4.005 5.344 6.444 1.00 0.00 C ATOM 804 CE1 TYR A 52 6.355 5.055 7.864 1.00 0.00 C ATOM 805 CE2 TYR A 52 4.531 6.422 7.135 1.00 0.00 C ATOM 806 CZ TYR A 52 5.707 6.273 7.845 1.00 0.00 C ATOM 807 OH TYR A 52 6.237 7.345 8.536 1.00 0.00 O ATOM 0 H TYR A 52 5.861 1.988 4.075 1.00 0.00 H new ATOM 0 HA TYR A 52 5.155 1.509 6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.020 3.179 4.615 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.008 2.789 5.992 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.335 3.031 7.190 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.085 5.467 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.274 4.939 8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.024 7.376 7.119 1.00 0.00 H new ATOM 0 HH TYR A 52 5.659 8.128 8.419 1.00 0.00 H new ATOM 817 N ILE A 53 4.262 -0.531 4.781 1.00 0.00 N ATOM 818 CA ILE A 53 3.404 -1.683 4.491 1.00 0.00 C ATOM 819 C ILE A 53 4.225 -2.955 4.300 1.00 0.00 C ATOM 820 O ILE A 53 5.454 -2.912 4.284 1.00 0.00 O ATOM 821 CB ILE A 53 2.545 -1.443 3.233 1.00 0.00 C ATOM 822 CG1 ILE A 53 3.415 -0.954 2.074 1.00 0.00 C ATOM 823 CG2 ILE A 53 1.438 -0.441 3.528 1.00 0.00 C ATOM 824 CD1 ILE A 53 3.832 -2.057 1.125 1.00 0.00 C ATOM 0 H ILE A 53 5.166 -0.541 4.308 1.00 0.00 H new ATOM 0 HA ILE A 53 2.748 -1.808 5.352 1.00 0.00 H new ATOM 0 HB ILE A 53 2.087 -2.389 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.869 -0.193 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.308 -0.475 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.841 -0.283 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.801 -0.827 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.878 0.505 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.446 -1.638 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.405 -2.808 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.945 -2.521 0.694 1.00 0.00 H new ATOM 836 N GLU A 54 3.541 -4.086 4.142 1.00 0.00 N ATOM 837 CA GLU A 54 4.230 -5.357 3.941 1.00 0.00 C ATOM 838 C GLU A 54 3.349 -6.358 3.198 1.00 0.00 C ATOM 839 O GLU A 54 2.129 -6.372 3.359 1.00 0.00 O ATOM 840 CB GLU A 54 4.674 -5.945 5.282 1.00 0.00 C ATOM 841 CG GLU A 54 3.523 -6.364 6.176 1.00 0.00 C ATOM 842 CD GLU A 54 3.811 -6.129 7.646 1.00 0.00 C ATOM 843 OE1 GLU A 54 3.821 -4.955 8.066 1.00 0.00 O ATOM 844 OE2 GLU A 54 4.028 -7.119 8.375 1.00 0.00 O ATOM 0 H GLU A 54 2.523 -4.148 4.149 1.00 0.00 H new ATOM 0 HA GLU A 54 5.110 -5.161 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.311 -6.810 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.281 -5.209 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.627 -5.811 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.309 -7.421 6.016 1.00 0.00 H new