USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 426 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 THR OG1 : rot -84:sc= 0.968 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 74:sc= 0.472 USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.03) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.043) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 1.07 (180deg=0.965) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.768 K(o=-0.77,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.703 K(o=0.7,f=-1.5) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 47 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -5.160 8.264 -2.441 1.00 0.00 N ATOM 35 CA LEU A 3 -5.001 8.768 -1.088 1.00 0.00 C ATOM 36 C LEU A 3 -3.661 9.474 -0.955 1.00 0.00 C ATOM 37 O LEU A 3 -2.921 9.596 -1.932 1.00 0.00 O ATOM 38 CB LEU A 3 -5.130 7.646 -0.057 1.00 0.00 C ATOM 39 CG LEU A 3 -6.545 7.092 0.112 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.582 6.050 1.215 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.521 8.218 0.414 1.00 0.00 C ATOM 0 HA LEU A 3 -5.799 9.484 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.467 6.830 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.782 8.016 0.907 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.842 6.615 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.597 5.667 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.909 5.230 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.266 6.503 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.524 7.808 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.224 8.720 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.516 8.934 -0.408 1.00 0.00 H new ATOM 53 N ARG A 4 -3.365 9.974 0.230 1.00 0.00 N ATOM 54 CA ARG A 4 -2.115 10.682 0.454 1.00 0.00 C ATOM 55 C ARG A 4 -1.010 9.691 0.758 1.00 0.00 C ATOM 56 O ARG A 4 -1.064 8.965 1.751 1.00 0.00 O ATOM 57 CB ARG A 4 -2.271 11.677 1.596 1.00 0.00 C ATOM 58 CG ARG A 4 -3.467 12.582 1.414 1.00 0.00 C ATOM 59 CD ARG A 4 -3.677 13.469 2.623 1.00 0.00 C ATOM 60 NE ARG A 4 -5.055 13.938 2.714 1.00 0.00 N ATOM 61 CZ ARG A 4 -5.540 14.657 3.722 1.00 0.00 C ATOM 62 NH1 ARG A 4 -4.739 15.076 4.696 1.00 0.00 N ATOM 63 NH2 ARG A 4 -6.827 14.969 3.734 1.00 0.00 N ATOM 0 H ARG A 4 -3.968 9.905 1.050 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.851 11.234 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.370 11.134 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.368 12.283 1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.326 13.200 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.359 11.979 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.419 12.918 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.004 14.325 2.568 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.690 13.698 1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.745 14.846 4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.118 15.627 5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.434 14.658 2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.211 15.520 4.502 1.00 0.00 H new ATOM 77 N TRP A 5 -0.018 9.658 -0.104 1.00 0.00 N ATOM 78 CA TRP A 5 1.068 8.705 0.035 1.00 0.00 C ATOM 79 C TRP A 5 2.282 9.357 0.671 1.00 0.00 C ATOM 80 O TRP A 5 2.769 10.387 0.201 1.00 0.00 O ATOM 81 CB TRP A 5 1.445 8.104 -1.323 1.00 0.00 C ATOM 82 CG TRP A 5 0.409 7.168 -1.871 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.818 7.495 -2.370 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.522 5.747 -1.978 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.483 6.359 -2.770 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.680 5.274 -2.540 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.523 4.827 -1.649 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -0.903 3.921 -2.778 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.297 3.486 -1.887 1.00 0.00 C ATOM 90 CH2 TRP A 5 0.092 3.044 -2.446 1.00 0.00 C ATOM 0 H TRP A 5 0.062 10.279 -0.909 1.00 0.00 H new ATOM 0 HA TRP A 5 0.723 7.902 0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.607 8.912 -2.037 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.390 7.570 -1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.210 8.499 -2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.420 6.330 -3.172 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.455 5.160 -1.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.830 3.576 -3.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.062 2.766 -1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.055 1.988 -2.619 1.00 0.00 H new ATOM 101 N THR A 6 2.755 8.764 1.753 1.00 0.00 N ATOM 102 CA THR A 6 3.984 9.203 2.385 1.00 0.00 C ATOM 103 C THR A 6 5.170 8.812 1.510 1.00 0.00 C ATOM 104 O THR A 6 5.055 7.904 0.685 1.00 0.00 O ATOM 105 CB THR A 6 4.139 8.581 3.790 1.00 0.00 C ATOM 106 OG1 THR A 6 3.961 7.159 3.720 1.00 0.00 O ATOM 107 CG2 THR A 6 3.125 9.165 4.761 1.00 0.00 C ATOM 0 H THR A 6 2.303 7.974 2.213 1.00 0.00 H new ATOM 0 HA THR A 6 3.950 10.287 2.498 1.00 0.00 H new ATOM 0 HB THR A 6 5.142 8.811 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.005 6.947 3.761 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.257 8.709 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.274 10.242 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.117 8.963 4.399 1.00 0.00 H new ATOM 115 N SER A 7 6.296 9.493 1.675 1.00 0.00 N ATOM 116 CA SER A 7 7.480 9.196 0.879 1.00 0.00 C ATOM 117 C SER A 7 7.884 7.738 1.071 1.00 0.00 C ATOM 118 O SER A 7 8.217 7.031 0.116 1.00 0.00 O ATOM 119 CB SER A 7 8.627 10.131 1.273 1.00 0.00 C ATOM 120 OG SER A 7 9.771 9.928 0.460 1.00 0.00 O ATOM 0 H SER A 7 6.415 10.250 2.348 1.00 0.00 H new ATOM 0 HA SER A 7 7.252 9.357 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.298 11.167 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.889 9.966 2.318 1.00 0.00 H new ATOM 0 HG SER A 7 10.483 10.542 0.738 1.00 0.00 H new ATOM 126 N GLU A 8 7.807 7.289 2.317 1.00 0.00 N ATOM 127 CA GLU A 8 8.115 5.913 2.669 1.00 0.00 C ATOM 128 C GLU A 8 7.177 4.951 1.947 1.00 0.00 C ATOM 129 O GLU A 8 7.608 3.931 1.411 1.00 0.00 O ATOM 130 CB GLU A 8 7.993 5.711 4.181 1.00 0.00 C ATOM 131 CG GLU A 8 9.055 6.431 5.004 1.00 0.00 C ATOM 132 CD GLU A 8 9.104 7.926 4.757 1.00 0.00 C ATOM 133 OE1 GLU A 8 8.073 8.601 4.953 1.00 0.00 O ATOM 134 OE2 GLU A 8 10.176 8.429 4.357 1.00 0.00 O ATOM 0 H GLU A 8 7.530 7.869 3.109 1.00 0.00 H new ATOM 0 HA GLU A 8 9.140 5.705 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.009 6.053 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.046 4.644 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.866 6.252 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.031 6.002 4.778 1.00 0.00 H new ATOM 141 N ALA A 9 5.892 5.294 1.933 1.00 0.00 N ATOM 142 CA ALA A 9 4.883 4.474 1.269 1.00 0.00 C ATOM 143 C ALA A 9 5.132 4.399 -0.232 1.00 0.00 C ATOM 144 O ALA A 9 5.067 3.325 -0.827 1.00 0.00 O ATOM 145 CB ALA A 9 3.490 5.018 1.539 1.00 0.00 C ATOM 0 H ALA A 9 5.524 6.136 2.375 1.00 0.00 H new ATOM 0 HA ALA A 9 4.955 3.466 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.752 4.394 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.299 5.013 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.419 6.039 1.163 1.00 0.00 H new ATOM 151 N LYS A 10 5.418 5.547 -0.838 1.00 0.00 N ATOM 152 CA LYS A 10 5.726 5.617 -2.263 1.00 0.00 C ATOM 153 C LYS A 10 6.919 4.725 -2.612 1.00 0.00 C ATOM 154 O LYS A 10 6.896 4.004 -3.611 1.00 0.00 O ATOM 155 CB LYS A 10 6.003 7.069 -2.663 1.00 0.00 C ATOM 156 CG LYS A 10 4.804 7.981 -2.454 1.00 0.00 C ATOM 157 CD LYS A 10 5.191 9.453 -2.462 1.00 0.00 C ATOM 158 CE LYS A 10 5.648 9.923 -3.832 1.00 0.00 C ATOM 159 NZ LYS A 10 6.024 11.359 -3.815 1.00 0.00 N ATOM 0 H LYS A 10 5.443 6.448 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 10 4.865 5.252 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.845 7.446 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.299 7.101 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.069 7.796 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.326 7.738 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.339 10.052 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.989 9.620 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.500 9.326 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.851 9.763 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.331 11.649 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.203 11.929 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.801 11.506 -3.140 1.00 0.00 H new ATOM 173 N THR A 11 7.951 4.762 -1.776 1.00 0.00 N ATOM 174 CA THR A 11 9.131 3.932 -1.977 1.00 0.00 C ATOM 175 C THR A 11 8.795 2.449 -1.784 1.00 0.00 C ATOM 176 O THR A 11 9.272 1.591 -2.531 1.00 0.00 O ATOM 177 CB THR A 11 10.266 4.354 -1.023 1.00 0.00 C ATOM 178 OG1 THR A 11 10.561 5.745 -1.220 1.00 0.00 O ATOM 179 CG2 THR A 11 11.522 3.530 -1.262 1.00 0.00 C ATOM 0 H THR A 11 7.993 5.360 -0.951 1.00 0.00 H new ATOM 0 HA THR A 11 9.471 4.076 -3.002 1.00 0.00 H new ATOM 0 HB THR A 11 9.935 4.182 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.851 6.290 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.304 3.851 -0.574 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.303 2.475 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.861 3.672 -2.288 1.00 0.00 H new ATOM 187 N LYS A 12 7.957 2.155 -0.796 1.00 0.00 N ATOM 188 CA LYS A 12 7.497 0.790 -0.554 1.00 0.00 C ATOM 189 C LYS A 12 6.680 0.270 -1.734 1.00 0.00 C ATOM 190 O LYS A 12 6.809 -0.889 -2.123 1.00 0.00 O ATOM 191 CB LYS A 12 6.664 0.726 0.728 1.00 0.00 C ATOM 192 CG LYS A 12 7.490 0.744 2.006 1.00 0.00 C ATOM 193 CD LYS A 12 8.222 -0.572 2.211 1.00 0.00 C ATOM 194 CE LYS A 12 8.968 -0.587 3.533 1.00 0.00 C ATOM 195 NZ LYS A 12 9.595 -1.908 3.810 1.00 0.00 N ATOM 0 H LYS A 12 7.580 2.846 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 12 8.376 0.156 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.973 1.569 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.060 -0.181 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.211 1.560 1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.839 0.937 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.509 -1.396 2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.924 -0.732 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.739 0.184 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.279 -0.337 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.395 -1.783 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.892 -2.542 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.937 -2.324 2.920 1.00 0.00 H new ATOM 209 N LEU A 13 5.854 1.139 -2.306 1.00 0.00 N ATOM 210 CA LEU A 13 5.035 0.788 -3.462 1.00 0.00 C ATOM 211 C LEU A 13 5.918 0.378 -4.638 1.00 0.00 C ATOM 212 O LEU A 13 5.585 -0.531 -5.396 1.00 0.00 O ATOM 213 CB LEU A 13 4.149 1.976 -3.858 1.00 0.00 C ATOM 214 CG LEU A 13 3.149 1.703 -4.989 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.176 0.602 -4.599 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.393 2.976 -5.352 1.00 0.00 C ATOM 0 H LEU A 13 5.733 2.100 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 13 4.399 -0.056 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.596 2.304 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.792 2.804 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 13 3.709 1.369 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.477 0.427 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.728 -0.315 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.624 0.903 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.688 2.764 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.850 3.338 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.100 3.738 -5.681 1.00 0.00 H new ATOM 228 N LYS A 14 7.059 1.044 -4.765 1.00 0.00 N ATOM 229 CA LYS A 14 8.017 0.743 -5.827 1.00 0.00 C ATOM 230 C LYS A 14 8.682 -0.618 -5.612 1.00 0.00 C ATOM 231 O LYS A 14 9.300 -1.170 -6.523 1.00 0.00 O ATOM 232 CB LYS A 14 9.084 1.832 -5.892 1.00 0.00 C ATOM 233 CG LYS A 14 8.539 3.208 -6.219 1.00 0.00 C ATOM 234 CD LYS A 14 9.631 4.256 -6.135 1.00 0.00 C ATOM 235 CE LYS A 14 9.111 5.639 -6.481 1.00 0.00 C ATOM 236 NZ LYS A 14 10.173 6.666 -6.342 1.00 0.00 N ATOM 0 H LYS A 14 7.346 1.800 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 14 7.470 0.709 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.603 1.876 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.824 1.557 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.109 3.205 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.735 3.459 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.049 4.266 -5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.442 3.992 -6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.731 5.642 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.274 5.888 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.786 7.600 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.517 6.679 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.961 6.440 -6.982 1.00 0.00 H new ATOM 250 N ASN A 15 8.551 -1.157 -4.408 1.00 0.00 N ATOM 251 CA ASN A 15 9.124 -2.460 -4.086 1.00 0.00 C ATOM 252 C ASN A 15 8.107 -3.570 -4.314 1.00 0.00 C ATOM 253 O ASN A 15 8.373 -4.739 -4.041 1.00 0.00 O ATOM 254 CB ASN A 15 9.631 -2.500 -2.638 1.00 0.00 C ATOM 255 CG ASN A 15 11.009 -1.877 -2.479 1.00 0.00 C ATOM 256 OD1 ASN A 15 12.027 -2.559 -2.593 1.00 0.00 O ATOM 257 ND2 ASN A 15 11.052 -0.580 -2.219 1.00 0.00 N ATOM 0 H ASN A 15 8.053 -0.713 -3.636 1.00 0.00 H new ATOM 0 HA ASN A 15 9.972 -2.620 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.924 -1.975 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.664 -3.535 -2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.951 -0.112 -2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.186 -0.048 -2.132 1.00 0.00 H new ATOM 264 N ILE A 16 6.936 -3.196 -4.812 1.00 0.00 N ATOM 265 CA ILE A 16 5.905 -4.163 -5.160 1.00 0.00 C ATOM 266 C ILE A 16 5.983 -4.488 -6.652 1.00 0.00 C ATOM 267 O ILE A 16 6.116 -3.579 -7.475 1.00 0.00 O ATOM 268 CB ILE A 16 4.496 -3.624 -4.808 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.435 -3.237 -3.328 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.424 -4.658 -5.133 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.103 -2.670 -2.898 1.00 0.00 C ATOM 0 H ILE A 16 6.676 -2.225 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 16 6.076 -5.071 -4.581 1.00 0.00 H new ATOM 0 HB ILE A 16 4.305 -2.737 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.657 -4.116 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.215 -2.504 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.443 -4.258 -4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.455 -4.892 -6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.607 -5.565 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.139 -2.420 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.887 -1.771 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.320 -3.409 -3.070 1.00 0.00 H new ATOM 283 N PRO A 17 5.936 -5.787 -7.015 1.00 0.00 N ATOM 284 CA PRO A 17 5.963 -6.224 -8.420 1.00 0.00 C ATOM 285 C PRO A 17 4.894 -5.521 -9.249 1.00 0.00 C ATOM 286 O PRO A 17 3.744 -5.426 -8.824 1.00 0.00 O ATOM 287 CB PRO A 17 5.670 -7.725 -8.330 1.00 0.00 C ATOM 288 CG PRO A 17 6.130 -8.116 -6.970 1.00 0.00 C ATOM 289 CD PRO A 17 5.856 -6.931 -6.087 1.00 0.00 C ATOM 0 HA PRO A 17 6.910 -5.994 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.608 -7.930 -8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.202 -8.280 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.597 -8.999 -6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.191 -8.364 -6.973 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.875 -6.999 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.589 -6.850 -5.285 1.00 0.00 H new ATOM 297 N PHE A 18 5.276 -5.054 -10.437 1.00 0.00 N ATOM 298 CA PHE A 18 4.413 -4.203 -11.260 1.00 0.00 C ATOM 299 C PHE A 18 3.038 -4.828 -11.491 1.00 0.00 C ATOM 300 O PHE A 18 2.015 -4.155 -11.359 1.00 0.00 O ATOM 301 CB PHE A 18 5.082 -3.902 -12.604 1.00 0.00 C ATOM 302 CG PHE A 18 4.268 -2.994 -13.485 1.00 0.00 C ATOM 303 CD1 PHE A 18 4.286 -1.622 -13.293 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.480 -3.514 -14.497 1.00 0.00 C ATOM 305 CE1 PHE A 18 3.534 -0.787 -14.094 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.724 -2.682 -15.302 1.00 0.00 C ATOM 307 CZ PHE A 18 2.751 -1.317 -15.099 1.00 0.00 C ATOM 0 H PHE A 18 6.185 -5.252 -10.855 1.00 0.00 H new ATOM 0 HA PHE A 18 4.265 -3.272 -10.712 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.055 -3.445 -12.423 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.263 -4.840 -13.130 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.896 -1.201 -12.507 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.455 -4.581 -14.660 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.558 0.281 -13.934 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.113 -3.100 -16.089 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.160 -0.665 -15.726 1.00 0.00 H new ATOM 317 N PHE A 19 3.019 -6.114 -11.815 1.00 0.00 N ATOM 318 CA PHE A 19 1.771 -6.814 -12.127 1.00 0.00 C ATOM 319 C PHE A 19 0.773 -6.746 -10.977 1.00 0.00 C ATOM 320 O PHE A 19 -0.438 -6.791 -11.191 1.00 0.00 O ATOM 321 CB PHE A 19 2.055 -8.275 -12.476 1.00 0.00 C ATOM 322 CG PHE A 19 2.816 -8.446 -13.758 1.00 0.00 C ATOM 323 CD1 PHE A 19 4.199 -8.396 -13.770 1.00 0.00 C ATOM 324 CD2 PHE A 19 2.146 -8.661 -14.952 1.00 0.00 C ATOM 325 CE1 PHE A 19 4.899 -8.557 -14.947 1.00 0.00 C ATOM 326 CE2 PHE A 19 2.844 -8.822 -16.131 1.00 0.00 C ATOM 327 CZ PHE A 19 4.223 -8.770 -16.128 1.00 0.00 C ATOM 0 H PHE A 19 3.853 -6.698 -11.870 1.00 0.00 H new ATOM 0 HA PHE A 19 1.326 -6.311 -12.986 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.620 -8.731 -11.663 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.110 -8.813 -12.549 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.736 -8.229 -12.848 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.067 -8.703 -14.960 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.978 -8.516 -14.943 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.312 -8.989 -17.056 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.771 -8.896 -17.050 1.00 0.00 H new ATOM 337 N ALA A 20 1.276 -6.623 -9.760 1.00 0.00 N ATOM 338 CA ALA A 20 0.419 -6.571 -8.590 1.00 0.00 C ATOM 339 C ALA A 20 0.564 -5.239 -7.867 1.00 0.00 C ATOM 340 O ALA A 20 0.037 -5.063 -6.776 1.00 0.00 O ATOM 341 CB ALA A 20 0.737 -7.721 -7.647 1.00 0.00 C ATOM 0 H ALA A 20 2.274 -6.557 -9.558 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.614 -6.667 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.085 -7.667 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.577 -8.668 -8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.777 -7.653 -7.328 1.00 0.00 H new ATOM 347 N ARG A 21 1.263 -4.297 -8.486 1.00 0.00 N ATOM 348 CA ARG A 21 1.540 -3.017 -7.845 1.00 0.00 C ATOM 349 C ARG A 21 0.283 -2.162 -7.786 1.00 0.00 C ATOM 350 O ARG A 21 -0.083 -1.649 -6.728 1.00 0.00 O ATOM 351 CB ARG A 21 2.657 -2.272 -8.578 1.00 0.00 C ATOM 352 CG ARG A 21 3.152 -1.048 -7.828 1.00 0.00 C ATOM 353 CD ARG A 21 4.404 -0.465 -8.458 1.00 0.00 C ATOM 354 NE ARG A 21 4.143 0.161 -9.754 1.00 0.00 N ATOM 355 CZ ARG A 21 5.097 0.676 -10.526 1.00 0.00 C ATOM 356 NH1 ARG A 21 6.374 0.509 -10.200 1.00 0.00 N ATOM 357 NH2 ARG A 21 4.782 1.328 -11.639 1.00 0.00 N ATOM 0 H ARG A 21 1.647 -4.393 -9.426 1.00 0.00 H new ATOM 0 HA ARG A 21 1.871 -3.215 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.493 -2.953 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.298 -1.967 -9.561 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.368 -0.291 -7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.358 -1.316 -6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.836 0.273 -7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.145 -1.255 -8.583 1.00 0.00 H new ATOM 0 HE ARG A 21 3.179 0.205 -10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.622 -0.013 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.107 0.903 -10.790 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.804 1.437 -11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.518 1.720 -12.226 1.00 0.00 H new ATOM 371 N SER A 22 -0.382 -2.021 -8.922 1.00 0.00 N ATOM 372 CA SER A 22 -1.631 -1.276 -8.986 1.00 0.00 C ATOM 373 C SER A 22 -2.719 -2.002 -8.193 1.00 0.00 C ATOM 374 O SER A 22 -3.642 -1.379 -7.658 1.00 0.00 O ATOM 375 CB SER A 22 -2.050 -1.098 -10.448 1.00 0.00 C ATOM 376 OG SER A 22 -0.970 -0.591 -11.216 1.00 0.00 O ATOM 0 H SER A 22 -0.078 -2.413 -9.813 1.00 0.00 H new ATOM 0 HA SER A 22 -1.487 -0.291 -8.542 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.378 -2.053 -10.857 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.899 -0.417 -10.509 1.00 0.00 H new ATOM 0 HG SER A 22 -1.253 -0.484 -12.148 1.00 0.00 H new ATOM 382 N GLN A 23 -2.586 -3.321 -8.098 1.00 0.00 N ATOM 383 CA GLN A 23 -3.518 -4.130 -7.332 1.00 0.00 C ATOM 384 C GLN A 23 -3.285 -3.912 -5.840 1.00 0.00 C ATOM 385 O GLN A 23 -4.230 -3.703 -5.071 1.00 0.00 O ATOM 386 CB GLN A 23 -3.346 -5.611 -7.680 1.00 0.00 C ATOM 387 CG GLN A 23 -4.457 -6.496 -7.143 1.00 0.00 C ATOM 388 CD GLN A 23 -5.676 -6.543 -8.049 1.00 0.00 C ATOM 389 OE1 GLN A 23 -6.431 -7.513 -8.035 1.00 0.00 O ATOM 390 NE2 GLN A 23 -5.855 -5.522 -8.872 1.00 0.00 N ATOM 0 H GLN A 23 -1.838 -3.851 -8.545 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.535 -3.830 -7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.300 -5.718 -8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.392 -5.960 -7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.074 -7.507 -7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.757 -6.135 -6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.208 -4.734 -8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.640 -5.523 -9.523 1.00 0.00 H new ATOM 399 N ALA A 24 -2.017 -3.953 -5.442 1.00 0.00 N ATOM 400 CA ALA A 24 -1.640 -3.698 -4.065 1.00 0.00 C ATOM 401 C ALA A 24 -2.065 -2.300 -3.655 1.00 0.00 C ATOM 402 O ALA A 24 -2.602 -2.114 -2.572 1.00 0.00 O ATOM 403 CB ALA A 24 -0.145 -3.879 -3.870 1.00 0.00 C ATOM 0 H ALA A 24 -1.233 -4.162 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.153 -4.420 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.113 -3.682 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.134 -4.901 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.393 -3.184 -4.515 1.00 0.00 H new ATOM 409 N LYS A 25 -1.842 -1.329 -4.541 1.00 0.00 N ATOM 410 CA LYS A 25 -2.250 0.052 -4.304 1.00 0.00 C ATOM 411 C LYS A 25 -3.721 0.126 -3.899 1.00 0.00 C ATOM 412 O LYS A 25 -4.067 0.776 -2.911 1.00 0.00 O ATOM 413 CB LYS A 25 -2.009 0.896 -5.560 1.00 0.00 C ATOM 414 CG LYS A 25 -2.508 2.325 -5.430 1.00 0.00 C ATOM 415 CD LYS A 25 -2.226 3.138 -6.680 1.00 0.00 C ATOM 416 CE LYS A 25 -2.642 4.590 -6.505 1.00 0.00 C ATOM 417 NZ LYS A 25 -4.119 4.757 -6.390 1.00 0.00 N ATOM 0 H LYS A 25 -1.377 -1.478 -5.436 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.649 0.448 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.942 0.910 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.503 0.422 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.580 2.319 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.031 2.800 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.163 3.089 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.760 2.705 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.164 4.995 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.280 5.172 -7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.340 5.749 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.569 4.492 -7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.479 4.146 -5.629 1.00 0.00 H new ATOM 431 N ALA A 26 -4.573 -0.559 -4.656 1.00 0.00 N ATOM 432 CA ALA A 26 -6.002 -0.585 -4.374 1.00 0.00 C ATOM 433 C ALA A 26 -6.277 -1.134 -2.977 1.00 0.00 C ATOM 434 O ALA A 26 -7.184 -0.670 -2.284 1.00 0.00 O ATOM 435 CB ALA A 26 -6.733 -1.410 -5.426 1.00 0.00 C ATOM 0 H ALA A 26 -4.296 -1.105 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.374 0.439 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.800 -1.421 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.572 -0.969 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.350 -2.431 -5.419 1.00 0.00 H new ATOM 441 N ARG A 27 -5.493 -2.121 -2.561 1.00 0.00 N ATOM 442 CA ARG A 27 -5.657 -2.700 -1.236 1.00 0.00 C ATOM 443 C ARG A 27 -5.067 -1.783 -0.164 1.00 0.00 C ATOM 444 O ARG A 27 -5.634 -1.647 0.912 1.00 0.00 O ATOM 445 CB ARG A 27 -5.020 -4.090 -1.168 1.00 0.00 C ATOM 446 CG ARG A 27 -5.257 -4.806 0.154 1.00 0.00 C ATOM 447 CD ARG A 27 -4.949 -6.292 0.049 1.00 0.00 C ATOM 448 NE ARG A 27 -5.815 -6.960 -0.926 1.00 0.00 N ATOM 449 CZ ARG A 27 -6.286 -8.200 -0.790 1.00 0.00 C ATOM 450 NH1 ARG A 27 -5.977 -8.928 0.281 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.069 -8.711 -1.732 1.00 0.00 N ATOM 0 H ARG A 27 -4.744 -2.533 -3.117 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.725 -2.804 -1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.416 -4.702 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.947 -3.997 -1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.633 -4.358 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.294 -4.670 0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.906 -6.428 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.074 -6.759 1.026 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.075 -6.442 -1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.375 -8.538 1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.342 -9.876 0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.307 -8.156 -2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.433 -9.659 -1.634 1.00 0.00 H new ATOM 465 N ILE A 28 -3.937 -1.145 -0.469 1.00 0.00 N ATOM 466 CA ILE A 28 -3.285 -0.225 0.466 1.00 0.00 C ATOM 467 C ILE A 28 -4.228 0.906 0.854 1.00 0.00 C ATOM 468 O ILE A 28 -4.465 1.159 2.038 1.00 0.00 O ATOM 469 CB ILE A 28 -2.001 0.385 -0.142 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.999 -0.718 -0.484 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.379 1.393 0.816 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.175 -0.241 -1.307 1.00 0.00 C ATOM 0 H ILE A 28 -3.452 -1.248 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.019 -0.804 1.350 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.269 0.907 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.627 -1.158 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.515 -1.509 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.477 1.811 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.091 2.195 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.124 0.896 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.842 -1.079 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.185 0.172 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.716 0.528 -0.757 1.00 0.00 H new ATOM 484 N GLU A 29 -4.776 1.569 -0.152 1.00 0.00 N ATOM 485 CA GLU A 29 -5.681 2.687 0.066 1.00 0.00 C ATOM 486 C GLU A 29 -6.992 2.199 0.687 1.00 0.00 C ATOM 487 O GLU A 29 -7.646 2.921 1.441 1.00 0.00 O ATOM 488 CB GLU A 29 -5.906 3.432 -1.254 1.00 0.00 C ATOM 489 CG GLU A 29 -4.601 3.956 -1.848 1.00 0.00 C ATOM 490 CD GLU A 29 -4.757 4.603 -3.209 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.189 3.910 -4.155 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.400 5.796 -3.351 1.00 0.00 O ATOM 0 H GLU A 29 -4.608 1.350 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.236 3.388 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.387 2.764 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.588 4.266 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.167 4.682 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.894 3.131 -1.929 1.00 0.00 H new ATOM 499 N GLN A 30 -7.350 0.955 0.392 1.00 0.00 N ATOM 500 CA GLN A 30 -8.486 0.306 1.039 1.00 0.00 C ATOM 501 C GLN A 30 -8.210 0.122 2.532 1.00 0.00 C ATOM 502 O GLN A 30 -9.072 0.382 3.375 1.00 0.00 O ATOM 503 CB GLN A 30 -8.747 -1.057 0.396 1.00 0.00 C ATOM 504 CG GLN A 30 -9.919 -1.817 0.998 1.00 0.00 C ATOM 505 CD GLN A 30 -10.026 -3.228 0.458 1.00 0.00 C ATOM 506 OE1 GLN A 30 -10.676 -3.471 -0.559 1.00 0.00 O ATOM 507 NE2 GLN A 30 -9.389 -4.172 1.135 1.00 0.00 N ATOM 0 H GLN A 30 -6.869 0.373 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.365 0.938 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.930 -0.915 -0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.848 -1.667 0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.808 -1.852 2.082 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.844 -1.279 0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.861 -3.930 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.427 -5.141 0.818 1.00 0.00 H new ATOM 516 N LEU A 31 -6.998 -0.325 2.847 1.00 0.00 N ATOM 517 CA LEU A 31 -6.588 -0.548 4.226 1.00 0.00 C ATOM 518 C LEU A 31 -6.541 0.766 4.995 1.00 0.00 C ATOM 519 O LEU A 31 -6.806 0.800 6.196 1.00 0.00 O ATOM 520 CB LEU A 31 -5.220 -1.238 4.276 1.00 0.00 C ATOM 521 CG LEU A 31 -5.173 -2.635 3.645 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.739 -3.132 3.535 1.00 0.00 C ATOM 523 CD2 LEU A 31 -6.014 -3.616 4.448 1.00 0.00 C ATOM 0 H LEU A 31 -6.278 -0.541 2.157 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.325 -1.198 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.492 -0.603 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.907 -1.316 5.317 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.589 -2.565 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.731 -4.125 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.163 -2.447 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.294 -3.181 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.967 -4.601 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.630 -3.676 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.049 -3.275 4.471 1.00 0.00 H new ATOM 535 N ALA A 32 -6.214 1.850 4.301 1.00 0.00 N ATOM 536 CA ALA A 32 -6.201 3.170 4.913 1.00 0.00 C ATOM 537 C ALA A 32 -7.611 3.597 5.306 1.00 0.00 C ATOM 538 O ALA A 32 -7.812 4.235 6.342 1.00 0.00 O ATOM 539 CB ALA A 32 -5.576 4.184 3.972 1.00 0.00 C ATOM 0 H ALA A 32 -5.955 1.839 3.315 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.597 3.123 5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.574 5.166 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.552 3.888 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.153 4.227 3.048 1.00 0.00 H new ATOM 545 N ARG A 33 -8.588 3.227 4.486 1.00 0.00 N ATOM 546 CA ARG A 33 -9.986 3.492 4.803 1.00 0.00 C ATOM 547 C ARG A 33 -10.390 2.753 6.078 1.00 0.00 C ATOM 548 O ARG A 33 -11.143 3.274 6.897 1.00 0.00 O ATOM 549 CB ARG A 33 -10.897 3.077 3.645 1.00 0.00 C ATOM 550 CG ARG A 33 -10.680 3.882 2.374 1.00 0.00 C ATOM 551 CD ARG A 33 -10.983 5.357 2.588 1.00 0.00 C ATOM 552 NE ARG A 33 -10.848 6.126 1.353 1.00 0.00 N ATOM 553 CZ ARG A 33 -11.085 7.437 1.258 1.00 0.00 C ATOM 554 NH1 ARG A 33 -11.454 8.134 2.329 1.00 0.00 N ATOM 555 NH2 ARG A 33 -10.939 8.047 0.089 1.00 0.00 N ATOM 0 H ARG A 33 -8.439 2.744 3.600 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.100 4.564 4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.734 2.021 3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.936 3.182 3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.649 3.766 2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.317 3.490 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.996 5.467 2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.308 5.761 3.343 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.554 5.631 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.558 7.668 3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.633 9.135 2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.647 7.515 -0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.119 9.048 0.010 1.00 0.00 H new ATOM 569 N GLN A 34 -9.870 1.541 6.247 1.00 0.00 N ATOM 570 CA GLN A 34 -10.117 0.767 7.462 1.00 0.00 C ATOM 571 C GLN A 34 -9.364 1.375 8.641 1.00 0.00 C ATOM 572 O GLN A 34 -9.821 1.317 9.781 1.00 0.00 O ATOM 573 CB GLN A 34 -9.689 -0.690 7.280 1.00 0.00 C ATOM 574 CG GLN A 34 -10.417 -1.417 6.160 1.00 0.00 C ATOM 575 CD GLN A 34 -10.051 -2.892 6.075 1.00 0.00 C ATOM 576 OE1 GLN A 34 -10.861 -3.720 5.653 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.837 -3.232 6.477 1.00 0.00 N ATOM 0 H GLN A 34 -9.277 1.074 5.561 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.188 0.795 7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.618 -0.720 7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.856 -1.226 8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.492 -1.323 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.185 -0.935 5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.195 -2.518 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.544 -4.208 6.444 1.00 0.00 H new ATOM 586 N ALA A 35 -8.206 1.957 8.352 1.00 0.00 N ATOM 587 CA ALA A 35 -7.391 2.603 9.374 1.00 0.00 C ATOM 588 C ALA A 35 -7.914 4.003 9.686 1.00 0.00 C ATOM 589 O ALA A 35 -7.395 4.687 10.568 1.00 0.00 O ATOM 590 CB ALA A 35 -5.934 2.666 8.932 1.00 0.00 C ATOM 0 H ALA A 35 -7.809 1.995 7.413 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.454 2.007 10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.340 3.151 9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.560 1.656 8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.859 3.236 8.006 1.00 0.00 H new ATOM 596 N GLU A 36 -8.930 4.427 8.932 1.00 0.00 N ATOM 597 CA GLU A 36 -9.615 5.699 9.166 1.00 0.00 C ATOM 598 C GLU A 36 -8.672 6.875 8.937 1.00 0.00 C ATOM 599 O GLU A 36 -8.761 7.903 9.612 1.00 0.00 O ATOM 600 CB GLU A 36 -10.194 5.750 10.587 1.00 0.00 C ATOM 601 CG GLU A 36 -11.186 4.637 10.884 1.00 0.00 C ATOM 602 CD GLU A 36 -11.800 4.748 12.266 1.00 0.00 C ATOM 603 OE1 GLU A 36 -11.209 4.224 13.232 1.00 0.00 O ATOM 604 OE2 GLU A 36 -12.881 5.361 12.393 1.00 0.00 O ATOM 0 H GLU A 36 -9.301 3.898 8.142 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.436 5.774 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.376 5.696 11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.685 6.712 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.979 4.655 10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.683 3.674 10.791 1.00 0.00 H new ATOM 611 N GLN A 37 -7.783 6.728 7.967 1.00 0.00 N ATOM 612 CA GLN A 37 -6.803 7.758 7.656 1.00 0.00 C ATOM 613 C GLN A 37 -6.730 7.996 6.153 1.00 0.00 C ATOM 614 O GLN A 37 -6.855 7.061 5.362 1.00 0.00 O ATOM 615 CB GLN A 37 -5.433 7.358 8.211 1.00 0.00 C ATOM 616 CG GLN A 37 -5.052 5.920 7.895 1.00 0.00 C ATOM 617 CD GLN A 37 -3.804 5.460 8.622 1.00 0.00 C ATOM 618 OE1 GLN A 37 -3.870 4.978 9.750 1.00 0.00 O ATOM 619 NE2 GLN A 37 -2.662 5.582 7.979 1.00 0.00 N ATOM 0 H GLN A 37 -7.720 5.898 7.377 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.112 8.691 8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.674 8.026 7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.432 7.498 9.292 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.882 5.264 8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.897 5.820 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.644 5.987 7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.795 5.271 8.417 1.00 0.00 H new ATOM 628 N ASP A 38 -6.533 9.251 5.765 1.00 0.00 N ATOM 629 CA ASP A 38 -6.449 9.619 4.352 1.00 0.00 C ATOM 630 C ASP A 38 -5.023 9.454 3.857 1.00 0.00 C ATOM 631 O ASP A 38 -4.741 9.555 2.663 1.00 0.00 O ATOM 632 CB ASP A 38 -6.890 11.072 4.136 1.00 0.00 C ATOM 633 CG ASP A 38 -8.333 11.323 4.522 1.00 0.00 C ATOM 634 OD1 ASP A 38 -9.228 11.078 3.689 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.579 11.779 5.661 1.00 0.00 O ATOM 0 H ASP A 38 -6.428 10.035 6.410 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.114 8.961 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.245 11.731 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.750 11.335 3.087 1.00 0.00 H new ATOM 640 N ILE A 39 -4.127 9.211 4.797 1.00 0.00 N ATOM 641 CA ILE A 39 -2.713 9.086 4.501 1.00 0.00 C ATOM 642 C ILE A 39 -2.279 7.642 4.679 1.00 0.00 C ATOM 643 O ILE A 39 -2.615 7.008 5.678 1.00 0.00 O ATOM 644 CB ILE A 39 -1.876 9.990 5.433 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.420 11.421 5.417 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.413 9.975 5.016 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.804 12.319 6.469 1.00 0.00 C ATOM 0 H ILE A 39 -4.359 9.095 5.783 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.549 9.398 3.470 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.950 9.601 6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.244 11.856 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.500 11.391 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.162 10.617 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.029 8.956 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.322 10.341 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.239 13.316 6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.002 11.908 7.459 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.727 12.380 6.310 1.00 0.00 H new ATOM 659 N VAL A 40 -1.546 7.112 3.716 1.00 0.00 N ATOM 660 CA VAL A 40 -1.081 5.742 3.806 1.00 0.00 C ATOM 661 C VAL A 40 0.360 5.700 4.300 1.00 0.00 C ATOM 662 O VAL A 40 1.209 6.494 3.877 1.00 0.00 O ATOM 663 CB VAL A 40 -1.203 4.981 2.462 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.622 5.067 1.921 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.209 5.499 1.433 1.00 0.00 C ATOM 0 H VAL A 40 -1.262 7.606 2.870 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.728 5.237 4.523 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.966 3.935 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.685 4.526 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.313 4.625 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.887 6.112 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.324 4.942 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.395 6.557 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.806 5.370 1.810 1.00 0.00 H new ATOM 675 N THR A 41 0.624 4.799 5.224 1.00 0.00 N ATOM 676 CA THR A 41 1.958 4.619 5.754 1.00 0.00 C ATOM 677 C THR A 41 2.633 3.433 5.076 1.00 0.00 C ATOM 678 O THR A 41 1.958 2.584 4.476 1.00 0.00 O ATOM 679 CB THR A 41 1.916 4.405 7.279 1.00 0.00 C ATOM 680 OG1 THR A 41 0.964 3.386 7.598 1.00 0.00 O ATOM 681 CG2 THR A 41 1.545 5.693 7.996 1.00 0.00 C ATOM 0 H THR A 41 -0.076 4.175 5.626 1.00 0.00 H new ATOM 0 HA THR A 41 2.534 5.521 5.551 1.00 0.00 H new ATOM 0 HB THR A 41 2.908 4.097 7.611 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.941 3.252 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.522 5.517 9.071 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.284 6.461 7.770 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.562 6.026 7.661 1.00 0.00 H new ATOM 689 N PRO A 42 3.969 3.352 5.151 1.00 0.00 N ATOM 690 CA PRO A 42 4.728 2.258 4.540 1.00 0.00 C ATOM 691 C PRO A 42 4.308 0.897 5.087 1.00 0.00 C ATOM 692 O PRO A 42 4.484 -0.128 4.430 1.00 0.00 O ATOM 693 CB PRO A 42 6.182 2.561 4.924 1.00 0.00 C ATOM 694 CG PRO A 42 6.091 3.506 6.074 1.00 0.00 C ATOM 695 CD PRO A 42 4.850 4.312 5.837 1.00 0.00 C ATOM 0 HA PRO A 42 4.566 2.203 3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.714 1.651 5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.725 3.006 4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.034 2.968 7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.971 4.147 6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.413 4.668 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.048 5.190 5.223 1.00 0.00 H new ATOM 703 N GLU A 43 3.736 0.902 6.288 1.00 0.00 N ATOM 704 CA GLU A 43 3.305 -0.326 6.938 1.00 0.00 C ATOM 705 C GLU A 43 2.130 -0.935 6.188 1.00 0.00 C ATOM 706 O GLU A 43 2.070 -2.145 5.974 1.00 0.00 O ATOM 707 CB GLU A 43 2.904 -0.059 8.387 1.00 0.00 C ATOM 708 CG GLU A 43 3.786 0.955 9.101 1.00 0.00 C ATOM 709 CD GLU A 43 5.260 0.595 9.104 1.00 0.00 C ATOM 710 OE1 GLU A 43 5.615 -0.546 8.741 1.00 0.00 O ATOM 711 OE2 GLU A 43 6.070 1.465 9.477 1.00 0.00 O ATOM 0 H GLU A 43 3.561 1.748 6.830 1.00 0.00 H new ATOM 0 HA GLU A 43 4.141 -1.026 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.873 0.294 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.930 -0.999 8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.661 1.928 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.445 1.057 10.131 1.00 0.00 H new ATOM 718 N LEU A 44 1.201 -0.075 5.782 1.00 0.00 N ATOM 719 CA LEU A 44 0.030 -0.511 5.028 1.00 0.00 C ATOM 720 C LEU A 44 0.449 -1.024 3.662 1.00 0.00 C ATOM 721 O LEU A 44 -0.089 -2.016 3.171 1.00 0.00 O ATOM 722 CB LEU A 44 -0.984 0.631 4.878 1.00 0.00 C ATOM 723 CG LEU A 44 -1.956 0.825 6.050 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.213 1.069 7.353 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.898 1.980 5.760 1.00 0.00 C ATOM 0 H LEU A 44 1.236 0.928 5.962 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.449 -1.320 5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.435 1.561 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.567 0.457 3.973 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.535 -0.092 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.931 1.202 8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.573 0.214 7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.601 1.966 7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.584 2.109 6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.321 2.894 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.467 1.767 4.855 1.00 0.00 H new ATOM 737 N VAL A 45 1.416 -0.346 3.053 1.00 0.00 N ATOM 738 CA VAL A 45 1.965 -0.790 1.777 1.00 0.00 C ATOM 739 C VAL A 45 2.612 -2.165 1.932 1.00 0.00 C ATOM 740 O VAL A 45 2.408 -3.063 1.112 1.00 0.00 O ATOM 741 CB VAL A 45 3.006 0.205 1.227 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.506 -0.239 -0.140 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.417 1.601 1.155 1.00 0.00 C ATOM 0 H VAL A 45 1.834 0.509 3.420 1.00 0.00 H new ATOM 0 HA VAL A 45 1.139 -0.847 1.068 1.00 0.00 H new ATOM 0 HB VAL A 45 3.856 0.225 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.240 0.478 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.969 -1.222 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.668 -0.291 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.165 2.292 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.549 1.596 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.114 1.920 2.152 1.00 0.00 H new ATOM 753 N GLU A 46 3.386 -2.315 2.999 1.00 0.00 N ATOM 754 CA GLU A 46 4.032 -3.579 3.323 1.00 0.00 C ATOM 755 C GLU A 46 2.984 -4.673 3.498 1.00 0.00 C ATOM 756 O GLU A 46 3.047 -5.718 2.848 1.00 0.00 O ATOM 757 CB GLU A 46 4.846 -3.428 4.610 1.00 0.00 C ATOM 758 CG GLU A 46 5.764 -4.601 4.898 1.00 0.00 C ATOM 759 CD GLU A 46 6.926 -4.667 3.933 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.926 -3.947 4.153 1.00 0.00 O ATOM 761 OE2 GLU A 46 6.855 -5.437 2.961 1.00 0.00 O ATOM 0 H GLU A 46 3.583 -1.566 3.662 1.00 0.00 H new ATOM 0 HA GLU A 46 4.699 -3.857 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.444 -2.519 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.161 -3.301 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.144 -4.521 5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.194 -5.528 4.842 1.00 0.00 H new ATOM 768 N GLN A 47 2.012 -4.406 4.366 1.00 0.00 N ATOM 769 CA GLN A 47 0.936 -5.347 4.651 1.00 0.00 C ATOM 770 C GLN A 47 0.246 -5.808 3.379 1.00 0.00 C ATOM 771 O GLN A 47 0.040 -7.002 3.183 1.00 0.00 O ATOM 772 CB GLN A 47 -0.086 -4.721 5.596 1.00 0.00 C ATOM 773 CG GLN A 47 0.360 -4.714 7.048 1.00 0.00 C ATOM 774 CD GLN A 47 0.503 -6.110 7.625 1.00 0.00 C ATOM 775 OE1 GLN A 47 1.352 -6.359 8.481 1.00 0.00 O ATOM 776 NE2 GLN A 47 -0.335 -7.035 7.177 1.00 0.00 N ATOM 0 H GLN A 47 1.949 -3.533 4.890 1.00 0.00 H new ATOM 0 HA GLN A 47 1.383 -6.218 5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.283 -3.697 5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.026 -5.266 5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.314 -4.193 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.361 -4.152 7.642 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.027 -6.795 6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.288 -7.986 7.543 1.00 0.00 H new ATOM 785 N ALA A 48 -0.098 -4.865 2.512 1.00 0.00 N ATOM 786 CA ALA A 48 -0.774 -5.193 1.267 1.00 0.00 C ATOM 787 C ALA A 48 0.110 -6.049 0.369 1.00 0.00 C ATOM 788 O ALA A 48 -0.379 -6.934 -0.332 1.00 0.00 O ATOM 789 CB ALA A 48 -1.204 -3.933 0.544 1.00 0.00 C ATOM 0 H ALA A 48 0.080 -3.870 2.649 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.664 -5.772 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.708 -4.200 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.887 -3.365 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.327 -3.325 0.319 1.00 0.00 H new ATOM 795 N ARG A 49 1.415 -5.804 0.409 1.00 0.00 N ATOM 796 CA ARG A 49 2.341 -6.586 -0.394 1.00 0.00 C ATOM 797 C ARG A 49 2.418 -8.010 0.143 1.00 0.00 C ATOM 798 O ARG A 49 2.456 -8.969 -0.623 1.00 0.00 O ATOM 799 CB ARG A 49 3.736 -5.953 -0.422 1.00 0.00 C ATOM 800 CG ARG A 49 4.696 -6.687 -1.346 1.00 0.00 C ATOM 801 CD ARG A 49 6.042 -5.988 -1.466 1.00 0.00 C ATOM 802 NE ARG A 49 6.765 -5.915 -0.198 1.00 0.00 N ATOM 803 CZ ARG A 49 8.075 -5.696 -0.108 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.816 -5.571 -1.202 1.00 0.00 N ATOM 805 NH2 ARG A 49 8.651 -5.607 1.081 1.00 0.00 N ATOM 0 H ARG A 49 1.849 -5.080 0.981 1.00 0.00 H new ATOM 0 HA ARG A 49 1.967 -6.605 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.653 -4.914 -0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.146 -5.943 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.849 -7.700 -0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.247 -6.775 -2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.655 -6.516 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.888 -4.979 -1.848 1.00 0.00 H new ATOM 0 HE ARG A 49 6.237 -6.039 0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.383 -5.643 -2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.819 -5.403 -1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.091 -5.706 1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.655 -5.439 1.150 1.00 0.00 H new ATOM 819 N LEU A 50 2.415 -8.142 1.463 1.00 0.00 N ATOM 820 CA LEU A 50 2.446 -9.452 2.092 1.00 0.00 C ATOM 821 C LEU A 50 1.106 -10.157 1.954 1.00 0.00 C ATOM 822 O LEU A 50 1.046 -11.386 1.947 1.00 0.00 O ATOM 823 CB LEU A 50 2.853 -9.349 3.560 1.00 0.00 C ATOM 824 CG LEU A 50 4.333 -9.622 3.819 1.00 0.00 C ATOM 825 CD1 LEU A 50 4.690 -11.017 3.331 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.205 -8.584 3.129 1.00 0.00 C ATOM 0 H LEU A 50 2.391 -7.359 2.116 1.00 0.00 H new ATOM 0 HA LEU A 50 3.197 -10.049 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.610 -8.351 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.258 -10.054 4.141 1.00 0.00 H new ATOM 0 HG LEU A 50 4.516 -9.558 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.747 -11.208 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.088 -11.754 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.491 -11.090 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.255 -8.800 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.026 -8.615 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.960 -7.592 3.509 1.00 0.00 H new ATOM 838 N GLU A 51 0.034 -9.379 1.839 1.00 0.00 N ATOM 839 CA GLU A 51 -1.273 -9.934 1.514 1.00 0.00 C ATOM 840 C GLU A 51 -1.173 -10.753 0.240 1.00 0.00 C ATOM 841 O GLU A 51 -1.528 -11.926 0.216 1.00 0.00 O ATOM 842 CB GLU A 51 -2.313 -8.826 1.324 1.00 0.00 C ATOM 843 CG GLU A 51 -2.815 -8.211 2.619 1.00 0.00 C ATOM 844 CD GLU A 51 -3.606 -9.189 3.459 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.592 -9.755 2.945 1.00 0.00 O ATOM 846 OE2 GLU A 51 -3.247 -9.396 4.636 1.00 0.00 O ATOM 0 H GLU A 51 0.045 -8.367 1.966 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.591 -10.566 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.880 -8.040 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.163 -9.232 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.966 -7.846 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.439 -7.348 2.389 1.00 0.00 H new ATOM 853 N PHE A 52 -0.641 -10.135 -0.803 1.00 0.00 N ATOM 854 CA PHE A 52 -0.533 -10.786 -2.101 1.00 0.00 C ATOM 855 C PHE A 52 0.650 -11.742 -2.127 1.00 0.00 C ATOM 856 O PHE A 52 0.674 -12.686 -2.914 1.00 0.00 O ATOM 857 CB PHE A 52 -0.406 -9.748 -3.217 1.00 0.00 C ATOM 858 CG PHE A 52 -1.649 -8.924 -3.408 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.745 -9.448 -4.075 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.722 -7.628 -2.923 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.889 -8.697 -4.252 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.865 -6.873 -3.098 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.948 -7.407 -3.763 1.00 0.00 C ATOM 0 H PHE A 52 -0.277 -9.183 -0.777 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.443 -11.362 -2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.430 -9.085 -2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.169 -10.257 -4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.703 -10.456 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.876 -7.204 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.737 -9.118 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.910 -5.865 -2.714 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.842 -6.817 -3.901 1.00 0.00 H new