USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 451 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0454 F(o=-0.8,f=-0.045) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -3 F(o=-4.7,f=-3) USER MOD Single : A 20 GLN : amide:sc= -1.02 X(o=-1,f=-0.58) USER MOD Single : A 29 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.1) USER MOD Single : A 31 THR OG1 : rot -25:sc= 0.883 USER MOD Single : A 42 ASN :FLIP amide:sc= 0.936 F(o=-0.31,f=0.94) USER MOD Single : A 46 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.026) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 0.0362 (180deg=0.00165) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.678 -2.521 -2.126 1.00 4.13 N ATOM 19 CA LYS A 2 3.541 -3.680 -2.320 1.00 45.21 C ATOM 20 C LYS A 2 4.137 -3.685 -3.724 1.00 72.35 C ATOM 21 O LYS A 2 3.495 -3.257 -4.684 1.00 20.10 O ATOM 22 CB LYS A 2 2.756 -4.972 -2.082 1.00 44.25 C ATOM 23 CG LYS A 2 2.058 -5.020 -0.735 1.00 12.24 C ATOM 24 CD LYS A 2 3.054 -5.142 0.406 1.00 44.31 C ATOM 25 CE LYS A 2 2.406 -5.723 1.653 1.00 70.11 C ATOM 26 NZ LYS A 2 1.713 -4.678 2.456 1.00 22.24 N ATOM 0 HA LYS A 2 4.356 -3.620 -1.599 1.00 45.21 H new ATOM 0 HB2 LYS A 2 2.013 -5.086 -2.871 1.00 44.25 H new ATOM 0 HB3 LYS A 2 3.436 -5.820 -2.160 1.00 44.25 H new ATOM 0 HG2 LYS A 2 1.460 -4.119 -0.602 1.00 12.24 H new ATOM 0 HG3 LYS A 2 1.370 -5.865 -0.711 1.00 12.24 H new ATOM 0 HD2 LYS A 2 3.886 -5.776 0.098 1.00 44.31 H new ATOM 0 HD3 LYS A 2 3.469 -4.160 0.634 1.00 44.31 H new ATOM 0 HE2 LYS A 2 1.691 -6.494 1.365 1.00 70.11 H new ATOM 0 HE3 LYS A 2 3.167 -6.207 2.266 1.00 70.11 H new ATOM 0 HZ1 LYS A 2 1.284 -5.114 3.297 1.00 22.24 H new ATOM 0 HZ2 LYS A 2 2.400 -3.956 2.752 1.00 22.24 H new ATOM 0 HZ3 LYS A 2 0.970 -4.233 1.880 1.00 22.24 H new ATOM 40 N LYS A 3 5.367 -4.174 -3.839 1.00 21.23 N ATOM 41 CA LYS A 3 6.049 -4.239 -5.126 1.00 11.41 C ATOM 42 C LYS A 3 6.284 -5.686 -5.545 1.00 61.22 C ATOM 43 O LYS A 3 6.731 -6.509 -4.747 1.00 43.23 O ATOM 44 CB LYS A 3 7.384 -3.493 -5.057 1.00 74.12 C ATOM 45 CG LYS A 3 7.289 -2.138 -4.377 1.00 23.43 C ATOM 46 CD LYS A 3 8.656 -1.490 -4.233 1.00 61.21 C ATOM 47 CE LYS A 3 8.638 -0.375 -3.199 1.00 40.32 C ATOM 48 NZ LYS A 3 9.873 0.456 -3.258 1.00 33.23 N ATOM 0 H LYS A 3 5.913 -4.532 -3.055 1.00 21.23 H new ATOM 0 HA LYS A 3 5.412 -3.763 -5.871 1.00 11.41 H new ATOM 0 HB2 LYS A 3 8.107 -4.109 -4.522 1.00 74.12 H new ATOM 0 HB3 LYS A 3 7.767 -3.357 -6.068 1.00 74.12 H new ATOM 0 HG2 LYS A 3 6.635 -1.485 -4.955 1.00 23.43 H new ATOM 0 HG3 LYS A 3 6.835 -2.255 -3.393 1.00 23.43 H new ATOM 0 HD2 LYS A 3 9.388 -2.244 -3.944 1.00 61.21 H new ATOM 0 HD3 LYS A 3 8.973 -1.090 -5.196 1.00 61.21 H new ATOM 0 HE2 LYS A 3 7.766 0.258 -3.363 1.00 40.32 H new ATOM 0 HE3 LYS A 3 8.537 -0.805 -2.203 1.00 40.32 H new ATOM 0 HZ1 LYS A 3 9.822 1.205 -2.538 1.00 33.23 H new ATOM 0 HZ2 LYS A 3 10.704 -0.143 -3.077 1.00 33.23 H new ATOM 0 HZ3 LYS A 3 9.957 0.887 -4.201 1.00 33.23 H new ATOM 62 N GLY A 4 5.981 -5.990 -6.804 1.00 32.03 N ATOM 63 CA GLY A 4 6.167 -7.338 -7.307 1.00 24.41 C ATOM 64 C GLY A 4 6.062 -7.413 -8.817 1.00 60.32 C ATOM 65 O GLY A 4 5.696 -6.436 -9.471 1.00 72.35 O ATOM 0 H GLY A 4 5.610 -5.326 -7.484 1.00 32.03 H new ATOM 0 HA2 GLY A 4 7.144 -7.707 -6.995 1.00 24.41 H new ATOM 0 HA3 GLY A 4 5.421 -7.995 -6.861 1.00 24.41 H new ATOM 69 N THR A 5 6.385 -8.576 -9.375 1.00 24.24 N ATOM 70 CA THR A 5 6.328 -8.774 -10.817 1.00 63.43 C ATOM 71 C THR A 5 4.895 -9.000 -11.285 1.00 0.40 C ATOM 72 O THR A 5 4.117 -9.688 -10.625 1.00 32.03 O ATOM 73 CB THR A 5 7.193 -9.972 -11.255 1.00 1.34 C ATOM 74 OG1 THR A 5 7.131 -11.007 -10.268 1.00 32.43 O ATOM 75 CG2 THR A 5 8.639 -9.548 -11.461 1.00 44.34 C ATOM 0 H THR A 5 6.689 -9.395 -8.849 1.00 24.24 H new ATOM 0 HA THR A 5 6.719 -7.866 -11.276 1.00 63.43 H new ATOM 0 HB THR A 5 6.802 -10.348 -12.201 1.00 1.34 H new ATOM 0 HG1 THR A 5 7.682 -11.765 -10.554 1.00 32.43 H new ATOM 0 HG21 THR A 5 9.230 -10.410 -11.770 1.00 44.34 H new ATOM 0 HG22 THR A 5 8.687 -8.780 -12.233 1.00 44.34 H new ATOM 0 HG23 THR A 5 9.038 -9.150 -10.528 1.00 44.34 H new ATOM 83 N VAL A 6 4.552 -8.415 -12.429 1.00 31.53 N ATOM 84 CA VAL A 6 3.212 -8.554 -12.986 1.00 73.20 C ATOM 85 C VAL A 6 3.039 -9.905 -13.672 1.00 11.22 C ATOM 86 O VAL A 6 3.870 -10.313 -14.484 1.00 12.53 O ATOM 87 CB VAL A 6 2.906 -7.434 -13.998 1.00 60.10 C ATOM 88 CG1 VAL A 6 3.744 -7.607 -15.256 1.00 33.32 C ATOM 89 CG2 VAL A 6 1.423 -7.411 -14.334 1.00 54.24 C ATOM 0 H VAL A 6 5.184 -7.841 -12.987 1.00 31.53 H new ATOM 0 HA VAL A 6 2.514 -8.481 -12.152 1.00 73.20 H new ATOM 0 HB VAL A 6 3.167 -6.477 -13.545 1.00 60.10 H new ATOM 0 HG11 VAL A 6 3.514 -6.807 -15.959 1.00 33.32 H new ATOM 0 HG12 VAL A 6 4.802 -7.569 -14.996 1.00 33.32 H new ATOM 0 HG13 VAL A 6 3.517 -8.569 -15.715 1.00 33.32 H new ATOM 0 HG21 VAL A 6 1.225 -6.614 -15.050 1.00 54.24 H new ATOM 0 HG22 VAL A 6 1.133 -8.368 -14.767 1.00 54.24 H new ATOM 0 HG23 VAL A 6 0.847 -7.234 -13.426 1.00 54.24 H new ATOM 99 N LYS A 7 1.953 -10.596 -13.340 1.00 44.34 N ATOM 100 CA LYS A 7 1.668 -11.901 -13.925 1.00 4.31 C ATOM 101 C LYS A 7 1.173 -11.757 -15.360 1.00 70.54 C ATOM 102 O LYS A 7 1.575 -12.514 -16.244 1.00 25.20 O ATOM 103 CB LYS A 7 0.625 -12.642 -13.086 1.00 1.45 C ATOM 104 CG LYS A 7 0.825 -14.147 -13.057 1.00 10.03 C ATOM 105 CD LYS A 7 -0.357 -14.854 -12.414 1.00 64.24 C ATOM 106 CE LYS A 7 -0.071 -15.211 -10.964 1.00 20.52 C ATOM 107 NZ LYS A 7 -0.221 -16.672 -10.712 1.00 50.43 N ATOM 0 H LYS A 7 1.256 -10.274 -12.669 1.00 44.34 H new ATOM 0 HA LYS A 7 2.593 -12.477 -13.935 1.00 4.31 H new ATOM 0 HB2 LYS A 7 0.654 -12.260 -12.065 1.00 1.45 H new ATOM 0 HB3 LYS A 7 -0.368 -12.423 -13.480 1.00 1.45 H new ATOM 0 HG2 LYS A 7 0.962 -14.516 -14.073 1.00 10.03 H new ATOM 0 HG3 LYS A 7 1.735 -14.384 -12.506 1.00 10.03 H new ATOM 0 HD2 LYS A 7 -1.237 -14.213 -12.465 1.00 64.24 H new ATOM 0 HD3 LYS A 7 -0.589 -15.760 -12.974 1.00 64.24 H new ATOM 0 HE2 LYS A 7 0.941 -14.900 -10.706 1.00 20.52 H new ATOM 0 HE3 LYS A 7 -0.749 -14.659 -10.313 1.00 20.52 H new ATOM 0 HZ1 LYS A 7 -0.018 -16.875 -9.712 1.00 50.43 H new ATOM 0 HZ2 LYS A 7 -1.194 -16.964 -10.933 1.00 50.43 H new ATOM 0 HZ3 LYS A 7 0.444 -17.198 -11.314 1.00 50.43 H new ATOM 121 N TRP A 8 0.300 -10.783 -15.585 1.00 52.42 N ATOM 122 CA TRP A 8 -0.249 -10.540 -16.915 1.00 10.24 C ATOM 123 C TRP A 8 -1.080 -9.262 -16.935 1.00 54.14 C ATOM 124 O TRP A 8 -1.706 -8.900 -15.938 1.00 63.43 O ATOM 125 CB TRP A 8 -1.105 -11.727 -17.360 1.00 44.12 C ATOM 126 CG TRP A 8 -2.408 -11.828 -16.627 1.00 51.34 C ATOM 127 CD1 TRP A 8 -3.457 -10.955 -16.696 1.00 63.43 C ATOM 128 CD2 TRP A 8 -2.800 -12.858 -15.714 1.00 32.10 C ATOM 129 NE1 TRP A 8 -4.477 -11.381 -15.881 1.00 30.54 N ATOM 130 CE2 TRP A 8 -4.100 -12.547 -15.268 1.00 5.24 C ATOM 131 CE3 TRP A 8 -2.181 -14.014 -15.231 1.00 73.33 C ATOM 132 CZ2 TRP A 8 -4.787 -13.350 -14.362 1.00 14.11 C ATOM 133 CZ3 TRP A 8 -2.865 -14.810 -14.332 1.00 73.12 C ATOM 134 CH2 TRP A 8 -4.157 -14.476 -13.906 1.00 15.34 C ATOM 0 H TRP A 8 -0.044 -10.148 -14.864 1.00 52.42 H new ATOM 0 HA TRP A 8 0.583 -10.421 -17.609 1.00 10.24 H new ATOM 0 HB2 TRP A 8 -1.303 -11.642 -18.428 1.00 44.12 H new ATOM 0 HB3 TRP A 8 -0.541 -12.648 -17.212 1.00 44.12 H new ATOM 0 HD1 TRP A 8 -3.480 -10.062 -17.302 1.00 63.43 H new ATOM 0 HE1 TRP A 8 -5.371 -10.906 -15.753 1.00 30.54 H new ATOM 0 HE3 TRP A 8 -1.186 -14.281 -15.555 1.00 73.33 H new ATOM 0 HZ2 TRP A 8 -5.782 -13.093 -14.031 1.00 14.11 H new ATOM 0 HZ3 TRP A 8 -2.395 -15.705 -13.951 1.00 73.12 H new ATOM 0 HH2 TRP A 8 -4.666 -15.120 -13.204 1.00 15.34 H new ATOM 145 N PHE A 9 -1.083 -8.582 -18.077 1.00 15.41 N ATOM 146 CA PHE A 9 -1.838 -7.343 -18.226 1.00 51.25 C ATOM 147 C PHE A 9 -2.558 -7.303 -19.572 1.00 24.35 C ATOM 148 O PHE A 9 -1.939 -7.085 -20.612 1.00 62.21 O ATOM 149 CB PHE A 9 -0.908 -6.135 -18.097 1.00 65.15 C ATOM 150 CG PHE A 9 -1.635 -4.838 -17.887 1.00 43.23 C ATOM 151 CD1 PHE A 9 -1.949 -4.404 -16.610 1.00 12.15 C ATOM 152 CD2 PHE A 9 -2.003 -4.052 -18.967 1.00 51.13 C ATOM 153 CE1 PHE A 9 -2.619 -3.211 -16.414 1.00 0.15 C ATOM 154 CE2 PHE A 9 -2.673 -2.858 -18.777 1.00 43.34 C ATOM 155 CZ PHE A 9 -2.980 -2.436 -17.499 1.00 30.34 C ATOM 0 H PHE A 9 -0.572 -8.868 -18.912 1.00 15.41 H new ATOM 0 HA PHE A 9 -2.585 -7.305 -17.433 1.00 51.25 H new ATOM 0 HB2 PHE A 9 -0.226 -6.299 -17.263 1.00 65.15 H new ATOM 0 HB3 PHE A 9 -0.298 -6.059 -18.997 1.00 65.15 H new ATOM 0 HD1 PHE A 9 -1.667 -5.004 -15.758 1.00 12.15 H new ATOM 0 HD2 PHE A 9 -1.764 -4.376 -19.969 1.00 51.13 H new ATOM 0 HE1 PHE A 9 -2.860 -2.885 -15.413 1.00 0.15 H new ATOM 0 HE2 PHE A 9 -2.956 -2.256 -19.628 1.00 43.34 H new ATOM 0 HZ PHE A 9 -3.501 -1.502 -17.348 1.00 30.34 H new ATOM 165 N ASN A 10 -3.869 -7.517 -19.541 1.00 11.32 N ATOM 166 CA ASN A 10 -4.674 -7.507 -20.757 1.00 42.21 C ATOM 167 C ASN A 10 -5.111 -6.088 -21.109 1.00 24.02 C ATOM 168 O ASN A 10 -6.107 -5.587 -20.588 1.00 70.43 O ATOM 169 CB ASN A 10 -5.902 -8.404 -20.588 1.00 41.52 C ATOM 170 CG ASN A 10 -6.451 -8.888 -21.916 1.00 55.52 C ATOM 171 OD1 ASN A 10 -7.719 -8.589 -22.176 1.00 52.32 O flip ATOM 172 ND2 ASN A 10 -5.744 -9.522 -22.699 1.00 32.33 N flip ATOM 0 H ASN A 10 -4.397 -7.699 -18.687 1.00 11.32 H new ATOM 0 HA ASN A 10 -4.061 -7.892 -21.572 1.00 42.21 H new ATOM 0 HB2 ASN A 10 -5.639 -9.264 -19.972 1.00 41.52 H new ATOM 0 HB3 ASN A 10 -6.679 -7.856 -20.055 1.00 41.52 H new ATOM 0 HD21 ASN A 10 -4.775 -9.729 -22.458 1.00 32.33 H new ATOM 0 HD22 ASN A 10 -6.127 -9.840 -23.589 1.00 32.33 H new ATOM 179 N ALA A 11 -4.358 -5.446 -21.996 1.00 50.12 N ATOM 180 CA ALA A 11 -4.669 -4.086 -22.420 1.00 24.22 C ATOM 181 C ALA A 11 -5.989 -4.037 -23.182 1.00 4.43 C ATOM 182 O ALA A 11 -6.641 -2.995 -23.244 1.00 5.13 O ATOM 183 CB ALA A 11 -3.541 -3.530 -23.277 1.00 11.12 C ATOM 0 H ALA A 11 -3.528 -5.846 -22.435 1.00 50.12 H new ATOM 0 HA ALA A 11 -4.772 -3.468 -21.528 1.00 24.22 H new ATOM 0 HB1 ALA A 11 -3.786 -2.514 -23.587 1.00 11.12 H new ATOM 0 HB2 ALA A 11 -2.616 -3.520 -22.700 1.00 11.12 H new ATOM 0 HB3 ALA A 11 -3.411 -4.157 -24.159 1.00 11.12 H new ATOM 189 N GLU A 12 -6.376 -5.169 -23.760 1.00 63.13 N ATOM 190 CA GLU A 12 -7.618 -5.253 -24.520 1.00 2.45 C ATOM 191 C GLU A 12 -8.820 -4.941 -23.632 1.00 43.24 C ATOM 192 O GLU A 12 -9.793 -4.332 -24.077 1.00 1.52 O ATOM 193 CB GLU A 12 -7.772 -6.645 -25.136 1.00 14.43 C ATOM 194 CG GLU A 12 -6.950 -6.847 -26.397 1.00 41.53 C ATOM 195 CD GLU A 12 -6.719 -8.311 -26.715 1.00 24.13 C ATOM 196 OE1 GLU A 12 -6.621 -9.115 -25.764 1.00 63.20 O ATOM 197 OE2 GLU A 12 -6.635 -8.653 -27.913 1.00 32.24 O ATOM 0 H GLU A 12 -5.848 -6.041 -23.717 1.00 63.13 H new ATOM 0 HA GLU A 12 -7.576 -4.513 -25.319 1.00 2.45 H new ATOM 0 HB2 GLU A 12 -7.481 -7.393 -24.399 1.00 14.43 H new ATOM 0 HB3 GLU A 12 -8.823 -6.817 -25.366 1.00 14.43 H new ATOM 0 HG2 GLU A 12 -7.458 -6.372 -27.237 1.00 41.53 H new ATOM 0 HG3 GLU A 12 -5.988 -6.348 -26.283 1.00 41.53 H new ATOM 204 N LYS A 13 -8.745 -5.364 -22.375 1.00 41.30 N ATOM 205 CA LYS A 13 -9.825 -5.130 -21.423 1.00 64.43 C ATOM 206 C LYS A 13 -9.492 -3.964 -20.498 1.00 51.25 C ATOM 207 O LYS A 13 -10.365 -3.175 -20.140 1.00 13.01 O ATOM 208 CB LYS A 13 -10.085 -6.392 -20.597 1.00 12.21 C ATOM 209 CG LYS A 13 -10.902 -7.441 -21.330 1.00 75.23 C ATOM 210 CD LYS A 13 -12.291 -6.928 -21.673 1.00 0.33 C ATOM 211 CE LYS A 13 -13.312 -8.055 -21.694 1.00 14.40 C ATOM 212 NZ LYS A 13 -14.526 -7.689 -22.476 1.00 45.23 N ATOM 0 H LYS A 13 -7.947 -5.871 -21.991 1.00 41.30 H new ATOM 0 HA LYS A 13 -10.724 -4.879 -21.985 1.00 64.43 H new ATOM 0 HB2 LYS A 13 -9.130 -6.827 -20.304 1.00 12.21 H new ATOM 0 HB3 LYS A 13 -10.604 -6.115 -19.680 1.00 12.21 H new ATOM 0 HG2 LYS A 13 -10.385 -7.733 -22.244 1.00 75.23 H new ATOM 0 HG3 LYS A 13 -10.986 -8.335 -20.712 1.00 75.23 H new ATOM 0 HD2 LYS A 13 -12.593 -6.176 -20.944 1.00 0.33 H new ATOM 0 HD3 LYS A 13 -12.269 -6.438 -22.646 1.00 0.33 H new ATOM 0 HE2 LYS A 13 -12.858 -8.948 -22.124 1.00 14.40 H new ATOM 0 HE3 LYS A 13 -13.599 -8.304 -20.672 1.00 14.40 H new ATOM 0 HZ1 LYS A 13 -15.198 -8.483 -22.466 1.00 45.23 H new ATOM 0 HZ2 LYS A 13 -14.973 -6.852 -22.051 1.00 45.23 H new ATOM 0 HZ3 LYS A 13 -14.256 -7.476 -23.457 1.00 45.23 H new ATOM 226 N GLY A 14 -8.223 -3.860 -20.117 1.00 25.02 N ATOM 227 CA GLY A 14 -7.797 -2.786 -19.238 1.00 55.14 C ATOM 228 C GLY A 14 -7.634 -3.242 -17.802 1.00 51.11 C ATOM 229 O GLY A 14 -7.858 -2.470 -16.869 1.00 74.31 O ATOM 0 H GLY A 14 -7.482 -4.500 -20.401 1.00 25.02 H new ATOM 0 HA2 GLY A 14 -6.851 -2.381 -19.597 1.00 55.14 H new ATOM 0 HA3 GLY A 14 -8.526 -1.977 -19.278 1.00 55.14 H new ATOM 233 N TYR A 15 -7.244 -4.499 -17.623 1.00 51.00 N ATOM 234 CA TYR A 15 -7.055 -5.058 -16.290 1.00 31.13 C ATOM 235 C TYR A 15 -5.840 -5.979 -16.253 1.00 23.54 C ATOM 236 O TYR A 15 -5.213 -6.241 -17.278 1.00 43.54 O ATOM 237 CB TYR A 15 -8.304 -5.826 -15.854 1.00 13.52 C ATOM 238 CG TYR A 15 -8.425 -7.194 -16.485 1.00 21.44 C ATOM 239 CD1 TYR A 15 -8.480 -7.342 -17.865 1.00 62.12 C ATOM 240 CD2 TYR A 15 -8.485 -8.340 -15.700 1.00 40.35 C ATOM 241 CE1 TYR A 15 -8.591 -8.591 -18.446 1.00 43.41 C ATOM 242 CE2 TYR A 15 -8.594 -9.592 -16.273 1.00 33.22 C ATOM 243 CZ TYR A 15 -8.647 -9.712 -17.646 1.00 31.52 C ATOM 244 OH TYR A 15 -8.757 -10.958 -18.220 1.00 35.34 O ATOM 0 H TYR A 15 -7.053 -5.150 -18.384 1.00 51.00 H new ATOM 0 HA TYR A 15 -6.884 -4.233 -15.599 1.00 31.13 H new ATOM 0 HB2 TYR A 15 -8.293 -5.935 -14.770 1.00 13.52 H new ATOM 0 HB3 TYR A 15 -9.187 -5.239 -16.106 1.00 13.52 H new ATOM 0 HD1 TYR A 15 -8.435 -6.466 -18.495 1.00 62.12 H new ATOM 0 HD2 TYR A 15 -8.446 -8.250 -14.624 1.00 40.35 H new ATOM 0 HE1 TYR A 15 -8.634 -8.688 -19.521 1.00 43.41 H new ATOM 0 HE2 TYR A 15 -8.638 -10.473 -15.649 1.00 33.22 H new ATOM 0 HH TYR A 15 -8.783 -11.641 -17.517 1.00 35.34 H new ATOM 254 N GLY A 16 -5.513 -6.470 -15.061 1.00 33.23 N ATOM 255 CA GLY A 16 -4.375 -7.358 -14.910 1.00 41.33 C ATOM 256 C GLY A 16 -4.164 -7.792 -13.473 1.00 41.43 C ATOM 257 O GLY A 16 -4.930 -7.417 -12.585 1.00 71.33 O ATOM 0 H GLY A 16 -6.016 -6.268 -14.197 1.00 33.23 H new ATOM 0 HA2 GLY A 16 -4.521 -8.239 -15.535 1.00 41.33 H new ATOM 0 HA3 GLY A 16 -3.477 -6.857 -15.270 1.00 41.33 H new ATOM 261 N PHE A 17 -3.123 -8.585 -13.243 1.00 42.22 N ATOM 262 CA PHE A 17 -2.815 -9.073 -11.904 1.00 4.40 C ATOM 263 C PHE A 17 -1.319 -8.970 -11.619 1.00 32.34 C ATOM 264 O PHE A 17 -0.492 -9.168 -12.509 1.00 22.21 O ATOM 265 CB PHE A 17 -3.277 -10.523 -11.747 1.00 51.35 C ATOM 266 CG PHE A 17 -4.766 -10.666 -11.613 1.00 53.21 C ATOM 267 CD1 PHE A 17 -5.583 -10.631 -12.732 1.00 44.41 C ATOM 268 CD2 PHE A 17 -5.350 -10.836 -10.368 1.00 4.01 C ATOM 269 CE1 PHE A 17 -6.953 -10.761 -12.611 1.00 32.20 C ATOM 270 CE2 PHE A 17 -6.720 -10.968 -10.241 1.00 3.43 C ATOM 271 CZ PHE A 17 -7.522 -10.931 -11.364 1.00 33.10 C ATOM 0 H PHE A 17 -2.478 -8.903 -13.967 1.00 42.22 H new ATOM 0 HA PHE A 17 -3.348 -8.450 -11.186 1.00 4.40 H new ATOM 0 HB2 PHE A 17 -2.941 -11.099 -12.609 1.00 51.35 H new ATOM 0 HB3 PHE A 17 -2.798 -10.956 -10.869 1.00 51.35 H new ATOM 0 HD1 PHE A 17 -5.144 -10.501 -13.710 1.00 44.41 H new ATOM 0 HD2 PHE A 17 -4.727 -10.866 -9.486 1.00 4.01 H new ATOM 0 HE1 PHE A 17 -7.579 -10.730 -13.491 1.00 32.20 H new ATOM 0 HE2 PHE A 17 -7.162 -11.100 -9.265 1.00 3.43 H new ATOM 0 HZ PHE A 17 -8.593 -11.035 -11.268 1.00 33.10 H new ATOM 281 N ILE A 18 -0.981 -8.660 -10.372 1.00 2.51 N ATOM 282 CA ILE A 18 0.414 -8.531 -9.969 1.00 20.32 C ATOM 283 C ILE A 18 0.776 -9.563 -8.905 1.00 40.35 C ATOM 284 O ILE A 18 -0.059 -9.939 -8.083 1.00 45.10 O ATOM 285 CB ILE A 18 0.716 -7.122 -9.425 1.00 33.30 C ATOM 286 CG1 ILE A 18 0.429 -6.067 -10.495 1.00 10.21 C ATOM 287 CG2 ILE A 18 2.161 -7.033 -8.959 1.00 1.23 C ATOM 288 CD1 ILE A 18 -0.018 -4.738 -9.928 1.00 1.51 C ATOM 0 H ILE A 18 -1.654 -8.494 -9.624 1.00 2.51 H new ATOM 0 HA ILE A 18 1.017 -8.704 -10.860 1.00 20.32 H new ATOM 0 HB ILE A 18 0.067 -6.931 -8.570 1.00 33.30 H new ATOM 0 HG12 ILE A 18 1.327 -5.914 -11.093 1.00 10.21 H new ATOM 0 HG13 ILE A 18 -0.342 -6.444 -11.168 1.00 10.21 H new ATOM 0 HG21 ILE A 18 2.359 -6.031 -8.577 1.00 1.23 H new ATOM 0 HG22 ILE A 18 2.334 -7.763 -8.169 1.00 1.23 H new ATOM 0 HG23 ILE A 18 2.827 -7.240 -9.797 1.00 1.23 H new ATOM 0 HD11 ILE A 18 -0.204 -4.039 -10.743 1.00 1.51 H new ATOM 0 HD12 ILE A 18 -0.934 -4.877 -9.354 1.00 1.51 H new ATOM 0 HD13 ILE A 18 0.761 -4.339 -9.278 1.00 1.51 H new ATOM 300 N GLN A 19 2.026 -10.014 -8.928 1.00 71.10 N ATOM 301 CA GLN A 19 2.499 -11.001 -7.965 1.00 35.33 C ATOM 302 C GLN A 19 3.516 -10.386 -7.009 1.00 71.25 C ATOM 303 O GLN A 19 4.620 -10.024 -7.414 1.00 63.21 O ATOM 304 CB GLN A 19 3.120 -12.196 -8.690 1.00 72.11 C ATOM 305 CG GLN A 19 2.147 -12.928 -9.601 1.00 0.04 C ATOM 306 CD GLN A 19 0.753 -13.018 -9.013 1.00 34.23 C ATOM 307 OE1 GLN A 19 -0.177 -12.253 -9.573 1.00 61.22 O flip ATOM 308 NE2 GLN A 19 0.513 -13.767 -8.065 1.00 21.01 N flip ATOM 0 H GLN A 19 2.729 -9.712 -9.603 1.00 71.10 H new ATOM 0 HA GLN A 19 1.643 -11.343 -7.384 1.00 35.33 H new ATOM 0 HB2 GLN A 19 3.968 -11.851 -9.281 1.00 72.11 H new ATOM 0 HB3 GLN A 19 3.510 -12.896 -7.951 1.00 72.11 H new ATOM 0 HG2 GLN A 19 2.100 -12.416 -10.562 1.00 0.04 H new ATOM 0 HG3 GLN A 19 2.522 -13.933 -9.794 1.00 0.04 H new ATOM 0 HE21 GLN A 19 1.258 -14.338 -7.665 1.00 21.01 H new ATOM 0 HE22 GLN A 19 -0.430 -13.816 -7.680 1.00 21.01 H new ATOM 317 N GLN A 20 3.135 -10.271 -5.741 1.00 64.12 N ATOM 318 CA GLN A 20 4.015 -9.698 -4.729 1.00 61.42 C ATOM 319 C GLN A 20 4.583 -10.786 -3.823 1.00 43.14 C ATOM 320 O GLN A 20 4.458 -11.975 -4.113 1.00 30.31 O ATOM 321 CB GLN A 20 3.260 -8.664 -3.892 1.00 74.54 C ATOM 322 CG GLN A 20 2.074 -9.242 -3.137 1.00 30.34 C ATOM 323 CD GLN A 20 1.673 -8.396 -1.945 1.00 12.32 C ATOM 324 OE1 GLN A 20 0.512 -8.010 -1.805 1.00 72.22 O ATOM 325 NE2 GLN A 20 2.634 -8.102 -1.077 1.00 11.31 N ATOM 0 H GLN A 20 2.224 -10.567 -5.390 1.00 64.12 H new ATOM 0 HA GLN A 20 4.843 -9.207 -5.240 1.00 61.42 H new ATOM 0 HB2 GLN A 20 3.949 -8.213 -3.178 1.00 74.54 H new ATOM 0 HB3 GLN A 20 2.910 -7.865 -4.546 1.00 74.54 H new ATOM 0 HG2 GLN A 20 1.226 -9.333 -3.815 1.00 30.34 H new ATOM 0 HG3 GLN A 20 2.320 -10.248 -2.797 1.00 30.34 H new ATOM 0 HE21 GLN A 20 3.583 -8.443 -1.232 1.00 11.31 H new ATOM 0 HE22 GLN A 20 2.423 -7.535 -0.255 1.00 11.31 H new ATOM 397 N VAL A 26 -3.401 -9.888 -7.237 1.00 31.22 N ATOM 398 CA VAL A 26 -4.074 -8.643 -6.885 1.00 21.40 C ATOM 399 C VAL A 26 -4.860 -8.090 -8.068 1.00 70.23 C ATOM 400 O VAL A 26 -4.501 -8.313 -9.225 1.00 31.23 O ATOM 401 CB VAL A 26 -3.069 -7.578 -6.407 1.00 34.21 C ATOM 402 CG1 VAL A 26 -2.602 -6.722 -7.574 1.00 73.44 C ATOM 403 CG2 VAL A 26 -3.687 -6.716 -5.316 1.00 42.35 C ATOM 0 HA VAL A 26 -4.762 -8.874 -6.072 1.00 21.40 H new ATOM 0 HB VAL A 26 -2.199 -8.085 -5.989 1.00 34.21 H new ATOM 0 HG11 VAL A 26 -1.893 -5.975 -7.217 1.00 73.44 H new ATOM 0 HG12 VAL A 26 -2.119 -7.354 -8.319 1.00 73.44 H new ATOM 0 HG13 VAL A 26 -3.459 -6.222 -8.024 1.00 73.44 H new ATOM 0 HG21 VAL A 26 -2.964 -5.969 -4.989 1.00 42.35 H new ATOM 0 HG22 VAL A 26 -4.574 -6.217 -5.706 1.00 42.35 H new ATOM 0 HG23 VAL A 26 -3.966 -7.344 -4.470 1.00 42.35 H new ATOM 413 N PHE A 27 -5.935 -7.367 -7.771 1.00 45.25 N ATOM 414 CA PHE A 27 -6.773 -6.781 -8.811 1.00 61.10 C ATOM 415 C PHE A 27 -6.208 -5.442 -9.275 1.00 44.04 C ATOM 416 O PHE A 27 -6.128 -4.487 -8.502 1.00 74.14 O ATOM 417 CB PHE A 27 -8.202 -6.594 -8.298 1.00 11.21 C ATOM 418 CG PHE A 27 -9.252 -6.867 -9.336 1.00 75.42 C ATOM 419 CD1 PHE A 27 -9.292 -8.085 -9.996 1.00 75.10 C ATOM 420 CD2 PHE A 27 -10.200 -5.907 -9.652 1.00 30.10 C ATOM 421 CE1 PHE A 27 -10.257 -8.339 -10.952 1.00 54.03 C ATOM 422 CE2 PHE A 27 -11.168 -6.155 -10.607 1.00 63.52 C ATOM 423 CZ PHE A 27 -11.197 -7.374 -11.257 1.00 41.54 C ATOM 0 H PHE A 27 -6.246 -7.173 -6.819 1.00 45.25 H new ATOM 0 HA PHE A 27 -6.785 -7.464 -9.661 1.00 61.10 H new ATOM 0 HB2 PHE A 27 -8.363 -7.255 -7.447 1.00 11.21 H new ATOM 0 HB3 PHE A 27 -8.318 -5.573 -7.935 1.00 11.21 H new ATOM 0 HD1 PHE A 27 -8.561 -8.844 -9.761 1.00 75.10 H new ATOM 0 HD2 PHE A 27 -10.182 -4.953 -9.146 1.00 30.10 H new ATOM 0 HE1 PHE A 27 -10.276 -9.292 -11.460 1.00 54.03 H new ATOM 0 HE2 PHE A 27 -11.900 -5.398 -10.845 1.00 63.52 H new ATOM 0 HZ PHE A 27 -11.953 -7.572 -12.002 1.00 41.54 H new ATOM 433 N VAL A 28 -5.815 -5.380 -10.544 1.00 20.01 N ATOM 434 CA VAL A 28 -5.257 -4.159 -11.113 1.00 13.13 C ATOM 435 C VAL A 28 -6.015 -3.741 -12.368 1.00 35.23 C ATOM 436 O VAL A 28 -6.435 -4.584 -13.162 1.00 42.51 O ATOM 437 CB VAL A 28 -3.767 -4.331 -11.460 1.00 63.43 C ATOM 438 CG1 VAL A 28 -3.161 -5.475 -10.661 1.00 42.01 C ATOM 439 CG2 VAL A 28 -3.592 -4.562 -12.954 1.00 25.13 C ATOM 0 H VAL A 28 -5.873 -6.161 -11.197 1.00 20.01 H new ATOM 0 HA VAL A 28 -5.358 -3.382 -10.355 1.00 13.13 H new ATOM 0 HB VAL A 28 -3.241 -3.414 -11.193 1.00 63.43 H new ATOM 0 HG11 VAL A 28 -2.107 -5.581 -10.920 1.00 42.01 H new ATOM 0 HG12 VAL A 28 -3.254 -5.264 -9.596 1.00 42.01 H new ATOM 0 HG13 VAL A 28 -3.687 -6.401 -10.894 1.00 42.01 H new ATOM 0 HG21 VAL A 28 -2.533 -4.682 -13.182 1.00 25.13 H new ATOM 0 HG22 VAL A 28 -4.131 -5.463 -13.248 1.00 25.13 H new ATOM 0 HG23 VAL A 28 -3.987 -3.707 -13.503 1.00 25.13 H new ATOM 449 N HIS A 29 -6.188 -2.435 -12.541 1.00 1.51 N ATOM 450 CA HIS A 29 -6.895 -1.904 -13.701 1.00 12.11 C ATOM 451 C HIS A 29 -6.250 -0.609 -14.185 1.00 42.02 C ATOM 452 O HIS A 29 -5.545 0.065 -13.433 1.00 35.20 O ATOM 453 CB HIS A 29 -8.365 -1.658 -13.360 1.00 32.21 C ATOM 454 CG HIS A 29 -9.249 -2.835 -13.639 1.00 14.54 C ATOM 455 ND1 HIS A 29 -10.250 -2.816 -14.588 1.00 24.13 N ATOM 456 CD2 HIS A 29 -9.278 -4.071 -13.088 1.00 14.54 C ATOM 457 CE1 HIS A 29 -10.857 -3.989 -14.607 1.00 64.32 C ATOM 458 NE2 HIS A 29 -10.286 -4.769 -13.706 1.00 41.25 N ATOM 0 H HIS A 29 -5.848 -1.725 -11.893 1.00 1.51 H new ATOM 0 HA HIS A 29 -6.833 -2.641 -14.501 1.00 12.11 H new ATOM 0 HB2 HIS A 29 -8.446 -1.395 -12.305 1.00 32.21 H new ATOM 0 HB3 HIS A 29 -8.724 -0.801 -13.931 1.00 32.21 H new ATOM 0 HD2 HIS A 29 -8.629 -4.440 -12.307 1.00 14.54 H new ATOM 0 HE1 HIS A 29 -11.680 -4.264 -15.250 1.00 64.32 H new ATOM 0 HE2 HIS A 29 -10.551 -5.733 -13.503 1.00 41.25 H new ATOM 466 N PHE A 30 -6.494 -0.267 -15.446 1.00 31.30 N ATOM 467 CA PHE A 30 -5.935 0.946 -16.031 1.00 73.12 C ATOM 468 C PHE A 30 -6.393 2.182 -15.262 1.00 73.32 C ATOM 469 O PHE A 30 -5.769 3.241 -15.336 1.00 71.32 O ATOM 470 CB PHE A 30 -6.346 1.065 -17.500 1.00 63.45 C ATOM 471 CG PHE A 30 -7.767 1.511 -17.692 1.00 31.23 C ATOM 472 CD1 PHE A 30 -8.080 2.859 -17.762 1.00 34.34 C ATOM 473 CD2 PHE A 30 -8.790 0.583 -17.802 1.00 63.41 C ATOM 474 CE1 PHE A 30 -9.388 3.272 -17.937 1.00 24.13 C ATOM 475 CE2 PHE A 30 -10.099 0.990 -17.978 1.00 22.22 C ATOM 476 CZ PHE A 30 -10.398 2.336 -18.046 1.00 41.41 C ATOM 0 H PHE A 30 -7.075 -0.813 -16.082 1.00 31.30 H new ATOM 0 HA PHE A 30 -4.849 0.882 -15.968 1.00 73.12 H new ATOM 0 HB2 PHE A 30 -5.682 1.771 -17.998 1.00 63.45 H new ATOM 0 HB3 PHE A 30 -6.208 0.099 -17.987 1.00 63.45 H new ATOM 0 HD1 PHE A 30 -7.294 3.595 -17.679 1.00 34.34 H new ATOM 0 HD2 PHE A 30 -8.562 -0.471 -17.750 1.00 63.41 H new ATOM 0 HE1 PHE A 30 -9.620 4.326 -17.988 1.00 24.13 H new ATOM 0 HE2 PHE A 30 -10.887 0.256 -18.062 1.00 22.22 H new ATOM 0 HZ PHE A 30 -11.420 2.657 -18.184 1.00 41.41 H new ATOM 486 N THR A 31 -7.489 2.039 -14.523 1.00 53.13 N ATOM 487 CA THR A 31 -8.033 3.142 -13.742 1.00 11.52 C ATOM 488 C THR A 31 -7.351 3.242 -12.382 1.00 45.34 C ATOM 489 O THR A 31 -7.678 4.111 -11.575 1.00 51.52 O ATOM 490 CB THR A 31 -9.551 2.987 -13.531 1.00 51.21 C ATOM 491 OG1 THR A 31 -10.063 4.114 -12.811 1.00 35.44 O ATOM 492 CG2 THR A 31 -9.864 1.707 -12.771 1.00 3.45 C ATOM 0 H THR A 31 -8.017 1.169 -14.449 1.00 53.13 H new ATOM 0 HA THR A 31 -7.843 4.053 -14.309 1.00 11.52 H new ATOM 0 HB THR A 31 -10.028 2.935 -14.510 1.00 51.21 H new ATOM 0 HG1 THR A 31 -9.347 4.511 -12.273 1.00 35.44 H new ATOM 0 HG21 THR A 31 -10.942 1.619 -12.634 1.00 3.45 H new ATOM 0 HG22 THR A 31 -9.499 0.850 -13.337 1.00 3.45 H new ATOM 0 HG23 THR A 31 -9.376 1.733 -11.797 1.00 3.45 H new ATOM 500 N ALA A 32 -6.399 2.347 -12.136 1.00 14.41 N ATOM 501 CA ALA A 32 -5.669 2.337 -10.875 1.00 3.02 C ATOM 502 C ALA A 32 -4.183 2.596 -11.099 1.00 42.21 C ATOM 503 O ALA A 32 -3.468 3.000 -10.181 1.00 52.12 O ATOM 504 CB ALA A 32 -5.873 1.011 -10.158 1.00 24.25 C ATOM 0 H ALA A 32 -6.116 1.620 -12.793 1.00 14.41 H new ATOM 0 HA ALA A 32 -6.061 3.140 -10.250 1.00 3.02 H new ATOM 0 HB1 ALA A 32 -5.322 1.017 -9.218 1.00 24.25 H new ATOM 0 HB2 ALA A 32 -6.934 0.866 -9.956 1.00 24.25 H new ATOM 0 HB3 ALA A 32 -5.509 0.198 -10.786 1.00 24.25 H new ATOM 510 N ILE A 33 -3.724 2.361 -12.324 1.00 33.02 N ATOM 511 CA ILE A 33 -2.323 2.570 -12.668 1.00 33.34 C ATOM 512 C ILE A 33 -1.945 4.043 -12.562 1.00 40.21 C ATOM 513 O ILE A 33 -2.603 4.906 -13.143 1.00 32.34 O ATOM 514 CB ILE A 33 -2.013 2.072 -14.092 1.00 1.32 C ATOM 515 CG1 ILE A 33 -2.063 0.544 -14.144 1.00 21.01 C ATOM 516 CG2 ILE A 33 -0.652 2.579 -14.545 1.00 1.01 C ATOM 517 CD1 ILE A 33 -2.519 0.000 -15.479 1.00 74.53 C ATOM 0 H ILE A 33 -4.302 2.026 -13.095 1.00 33.02 H new ATOM 0 HA ILE A 33 -1.733 1.994 -11.955 1.00 33.34 H new ATOM 0 HB ILE A 33 -2.770 2.464 -14.771 1.00 1.32 H new ATOM 0 HG12 ILE A 33 -1.073 0.148 -13.919 1.00 21.01 H new ATOM 0 HG13 ILE A 33 -2.735 0.184 -13.365 1.00 21.01 H new ATOM 0 HG21 ILE A 33 -0.447 2.219 -15.553 1.00 1.01 H new ATOM 0 HG22 ILE A 33 -0.650 3.669 -14.542 1.00 1.01 H new ATOM 0 HG23 ILE A 33 0.117 2.213 -13.865 1.00 1.01 H new ATOM 0 HD11 ILE A 33 -2.530 -1.089 -15.443 1.00 74.53 H new ATOM 0 HD12 ILE A 33 -3.522 0.366 -15.698 1.00 74.53 H new ATOM 0 HD13 ILE A 33 -1.834 0.330 -16.260 1.00 74.53 H new ATOM 529 N GLU A 34 -0.879 4.323 -11.819 1.00 12.24 N ATOM 530 CA GLU A 34 -0.413 5.693 -11.638 1.00 42.03 C ATOM 531 C GLU A 34 0.787 5.982 -12.536 1.00 23.34 C ATOM 532 O GLU A 34 1.936 5.834 -12.120 1.00 61.31 O ATOM 533 CB GLU A 34 -0.041 5.940 -10.175 1.00 4.21 C ATOM 534 CG GLU A 34 -1.128 5.535 -9.194 1.00 5.04 C ATOM 535 CD GLU A 34 -1.686 6.715 -8.422 1.00 73.20 C ATOM 536 OE1 GLU A 34 -0.896 7.609 -8.053 1.00 55.33 O ATOM 537 OE2 GLU A 34 -2.912 6.744 -8.187 1.00 32.33 O ATOM 0 H GLU A 34 -0.322 3.620 -11.333 1.00 12.24 H new ATOM 0 HA GLU A 34 -1.224 6.366 -11.917 1.00 42.03 H new ATOM 0 HB2 GLU A 34 0.870 5.389 -9.943 1.00 4.21 H new ATOM 0 HB3 GLU A 34 0.183 6.998 -10.040 1.00 4.21 H new ATOM 0 HG2 GLU A 34 -1.937 5.045 -9.736 1.00 5.04 H new ATOM 0 HG3 GLU A 34 -0.725 4.804 -8.493 1.00 5.04 H new ATOM 631 N LEU A 41 1.454 -2.558 -18.824 1.00 73.24 N ATOM 632 CA LEU A 41 2.537 -3.283 -18.169 1.00 12.15 C ATOM 633 C LEU A 41 3.018 -4.443 -19.034 1.00 21.11 C ATOM 634 O LEU A 41 2.345 -4.844 -19.982 1.00 54.11 O ATOM 635 CB LEU A 41 2.076 -3.805 -16.806 1.00 41.43 C ATOM 636 CG LEU A 41 1.731 -2.742 -15.762 1.00 71.14 C ATOM 637 CD1 LEU A 41 2.810 -1.672 -15.713 1.00 24.14 C ATOM 638 CD2 LEU A 41 0.375 -2.121 -16.062 1.00 53.54 C ATOM 0 HA LEU A 41 3.368 -2.593 -18.025 1.00 12.15 H new ATOM 0 HB2 LEU A 41 1.199 -4.434 -16.958 1.00 41.43 H new ATOM 0 HB3 LEU A 41 2.860 -4.444 -16.400 1.00 41.43 H new ATOM 0 HG LEU A 41 1.680 -3.223 -14.785 1.00 71.14 H new ATOM 0 HD11 LEU A 41 2.547 -0.924 -14.965 1.00 24.14 H new ATOM 0 HD12 LEU A 41 3.764 -2.129 -15.450 1.00 24.14 H new ATOM 0 HD13 LEU A 41 2.893 -1.194 -16.689 1.00 24.14 H new ATOM 0 HD21 LEU A 41 0.146 -1.367 -15.309 1.00 53.54 H new ATOM 0 HD22 LEU A 41 0.398 -1.655 -17.047 1.00 53.54 H new ATOM 0 HD23 LEU A 41 -0.392 -2.896 -16.045 1.00 53.54 H new ATOM 650 N ASN A 42 4.187 -4.979 -18.699 1.00 21.32 N ATOM 651 CA ASN A 42 4.758 -6.095 -19.445 1.00 30.15 C ATOM 652 C ASN A 42 4.988 -7.297 -18.534 1.00 34.33 C ATOM 653 O ASN A 42 5.625 -7.182 -17.488 1.00 22.44 O ATOM 654 CB ASN A 42 6.077 -5.677 -20.098 1.00 73.23 C ATOM 655 CG ASN A 42 6.026 -4.266 -20.651 1.00 41.02 C ATOM 656 OD1 ASN A 42 5.574 -4.133 -21.893 1.00 24.11 O flip ATOM 657 ND2 ASN A 42 6.389 -3.307 -19.970 1.00 13.04 N flip ATOM 0 H ASN A 42 4.757 -4.659 -17.916 1.00 21.32 H new ATOM 0 HA ASN A 42 4.049 -6.381 -20.222 1.00 30.15 H new ATOM 0 HB2 ASN A 42 6.881 -5.748 -19.365 1.00 73.23 H new ATOM 0 HB3 ASN A 42 6.317 -6.372 -20.903 1.00 73.23 H new ATOM 0 HD21 ASN A 42 6.729 -3.456 -19.020 1.00 13.04 H new ATOM 0 HD22 ASN A 42 6.349 -2.364 -20.356 1.00 13.04 H new ATOM 664 N GLU A 43 4.464 -8.450 -18.940 1.00 53.52 N ATOM 665 CA GLU A 43 4.612 -9.673 -18.160 1.00 52.42 C ATOM 666 C GLU A 43 6.082 -9.951 -17.858 1.00 54.23 C ATOM 667 O GLU A 43 6.899 -10.082 -18.768 1.00 62.50 O ATOM 668 CB GLU A 43 4.000 -10.859 -18.909 1.00 2.41 C ATOM 669 CG GLU A 43 4.189 -12.189 -18.200 1.00 25.11 C ATOM 670 CD GLU A 43 3.779 -13.371 -19.057 1.00 41.43 C ATOM 671 OE1 GLU A 43 2.642 -13.362 -19.573 1.00 52.44 O ATOM 672 OE2 GLU A 43 4.594 -14.304 -19.212 1.00 3.30 O ATOM 0 H GLU A 43 3.934 -8.562 -19.804 1.00 53.52 H new ATOM 0 HA GLU A 43 4.084 -9.538 -17.216 1.00 52.42 H new ATOM 0 HB2 GLU A 43 2.934 -10.679 -19.048 1.00 2.41 H new ATOM 0 HB3 GLU A 43 4.445 -10.920 -19.902 1.00 2.41 H new ATOM 0 HG2 GLU A 43 5.235 -12.298 -17.914 1.00 25.11 H new ATOM 0 HG3 GLU A 43 3.605 -12.192 -17.280 1.00 25.11 H new ATOM 679 N GLY A 44 6.410 -10.038 -16.573 1.00 35.33 N ATOM 680 CA GLY A 44 7.780 -10.299 -16.173 1.00 31.42 C ATOM 681 C GLY A 44 8.473 -9.062 -15.638 1.00 24.33 C ATOM 682 O GLY A 44 9.598 -9.138 -15.145 1.00 23.40 O ATOM 0 H GLY A 44 5.751 -9.932 -15.802 1.00 35.33 H new ATOM 0 HA2 GLY A 44 7.790 -11.077 -15.409 1.00 31.42 H new ATOM 0 HA3 GLY A 44 8.338 -10.684 -17.027 1.00 31.42 H new ATOM 686 N GLU A 45 7.801 -7.920 -15.736 1.00 43.53 N ATOM 687 CA GLU A 45 8.362 -6.661 -15.260 1.00 43.31 C ATOM 688 C GLU A 45 7.935 -6.384 -13.821 1.00 60.35 C ATOM 689 O GLU A 45 6.943 -6.933 -13.340 1.00 52.44 O ATOM 690 CB GLU A 45 7.924 -5.507 -16.165 1.00 1.15 C ATOM 691 CG GLU A 45 8.672 -4.210 -15.902 1.00 74.34 C ATOM 692 CD GLU A 45 9.027 -3.473 -17.179 1.00 71.31 C ATOM 693 OE1 GLU A 45 8.113 -3.224 -17.993 1.00 41.12 O ATOM 694 OE2 GLU A 45 10.218 -3.146 -17.364 1.00 74.34 O ATOM 0 H GLU A 45 6.868 -7.840 -16.140 1.00 43.53 H new ATOM 0 HA GLU A 45 9.449 -6.743 -15.289 1.00 43.31 H new ATOM 0 HB2 GLU A 45 8.070 -5.797 -17.206 1.00 1.15 H new ATOM 0 HB3 GLU A 45 6.856 -5.335 -16.029 1.00 1.15 H new ATOM 0 HG2 GLU A 45 8.061 -3.564 -15.272 1.00 74.34 H new ATOM 0 HG3 GLU A 45 9.584 -4.427 -15.346 1.00 74.34 H new ATOM 701 N HIS A 46 8.692 -5.530 -13.139 1.00 73.43 N ATOM 702 CA HIS A 46 8.392 -5.181 -11.755 1.00 41.53 C ATOM 703 C HIS A 46 7.499 -3.945 -11.688 1.00 64.03 C ATOM 704 O HIS A 46 7.704 -2.978 -12.422 1.00 71.25 O ATOM 705 CB HIS A 46 9.685 -4.932 -10.978 1.00 64.34 C ATOM 706 CG HIS A 46 10.870 -5.657 -11.540 1.00 33.44 C ATOM 707 ND1 HIS A 46 11.200 -6.948 -11.184 1.00 0.15 N ATOM 708 CD2 HIS A 46 11.803 -5.266 -12.438 1.00 4.21 C ATOM 709 CE1 HIS A 46 12.287 -7.318 -11.837 1.00 73.23 C ATOM 710 NE2 HIS A 46 12.673 -6.316 -12.606 1.00 14.43 N ATOM 0 H HIS A 46 9.517 -5.068 -13.522 1.00 73.43 H new ATOM 0 HA HIS A 46 7.860 -6.018 -11.302 1.00 41.53 H new ATOM 0 HB2 HIS A 46 9.894 -3.862 -10.970 1.00 64.34 H new ATOM 0 HB3 HIS A 46 9.541 -5.237 -9.941 1.00 64.34 H new ATOM 0 HD2 HIS A 46 11.854 -4.307 -12.931 1.00 4.21 H new ATOM 0 HE1 HIS A 46 12.777 -8.277 -11.756 1.00 73.23 H new ATOM 0 HE2 HIS A 46 13.485 -6.321 -13.224 1.00 14.43 H new ATOM 718 N VAL A 47 6.508 -3.984 -10.803 1.00 61.35 N ATOM 719 CA VAL A 47 5.584 -2.868 -10.640 1.00 63.14 C ATOM 720 C VAL A 47 4.947 -2.880 -9.256 1.00 31.24 C ATOM 721 O VAL A 47 4.631 -3.940 -8.717 1.00 25.45 O ATOM 722 CB VAL A 47 4.472 -2.900 -11.706 1.00 3.33 C ATOM 723 CG1 VAL A 47 5.067 -2.800 -13.102 1.00 43.20 C ATOM 724 CG2 VAL A 47 3.634 -4.161 -11.563 1.00 64.33 C ATOM 0 H VAL A 47 6.324 -4.777 -10.188 1.00 61.35 H new ATOM 0 HA VAL A 47 6.166 -1.954 -10.760 1.00 63.14 H new ATOM 0 HB VAL A 47 3.821 -2.039 -11.553 1.00 3.33 H new ATOM 0 HG11 VAL A 47 4.266 -2.824 -13.841 1.00 43.20 H new ATOM 0 HG12 VAL A 47 5.619 -1.865 -13.196 1.00 43.20 H new ATOM 0 HG13 VAL A 47 5.742 -3.639 -13.271 1.00 43.20 H new ATOM 0 HG21 VAL A 47 2.853 -4.167 -12.324 1.00 64.33 H new ATOM 0 HG22 VAL A 47 4.270 -5.037 -11.689 1.00 64.33 H new ATOM 0 HG23 VAL A 47 3.177 -4.184 -10.574 1.00 64.33 H new ATOM 734 N GLU A 48 4.760 -1.694 -8.686 1.00 11.23 N ATOM 735 CA GLU A 48 4.160 -1.569 -7.363 1.00 12.33 C ATOM 736 C GLU A 48 2.643 -1.435 -7.464 1.00 1.24 C ATOM 737 O GLU A 48 2.109 -1.077 -8.513 1.00 53.25 O ATOM 738 CB GLU A 48 4.742 -0.360 -6.627 1.00 33.04 C ATOM 739 CG GLU A 48 4.344 -0.290 -5.162 1.00 22.23 C ATOM 740 CD GLU A 48 5.068 0.812 -4.413 1.00 13.02 C ATOM 741 OE1 GLU A 48 5.578 1.742 -5.072 1.00 23.33 O ATOM 742 OE2 GLU A 48 5.123 0.745 -3.167 1.00 31.51 O ATOM 0 H GLU A 48 5.015 -0.807 -9.119 1.00 11.23 H new ATOM 0 HA GLU A 48 4.391 -2.474 -6.800 1.00 12.33 H new ATOM 0 HB2 GLU A 48 5.829 -0.391 -6.698 1.00 33.04 H new ATOM 0 HB3 GLU A 48 4.415 0.551 -7.128 1.00 33.04 H new ATOM 0 HG2 GLU A 48 3.269 -0.128 -5.089 1.00 22.23 H new ATOM 0 HG3 GLU A 48 4.555 -1.247 -4.686 1.00 22.23 H new ATOM 749 N PHE A 49 1.955 -1.725 -6.365 1.00 31.45 N ATOM 750 CA PHE A 49 0.500 -1.639 -6.329 1.00 34.34 C ATOM 751 C PHE A 49 -0.005 -1.559 -4.891 1.00 11.12 C ATOM 752 O PHE A 49 0.387 -2.356 -4.040 1.00 20.25 O ATOM 753 CB PHE A 49 -0.121 -2.848 -7.032 1.00 54.22 C ATOM 754 CG PHE A 49 0.175 -4.154 -6.354 1.00 24.54 C ATOM 755 CD1 PHE A 49 1.382 -4.802 -6.565 1.00 2.52 C ATOM 756 CD2 PHE A 49 -0.753 -4.736 -5.505 1.00 3.12 C ATOM 757 CE1 PHE A 49 1.659 -6.004 -5.942 1.00 13.14 C ATOM 758 CE2 PHE A 49 -0.482 -5.938 -4.879 1.00 4.24 C ATOM 759 CZ PHE A 49 0.725 -6.573 -5.098 1.00 70.21 C ATOM 0 H PHE A 49 2.382 -2.022 -5.487 1.00 31.45 H new ATOM 0 HA PHE A 49 0.202 -0.730 -6.852 1.00 34.34 H new ATOM 0 HB2 PHE A 49 -1.201 -2.712 -7.085 1.00 54.22 H new ATOM 0 HB3 PHE A 49 0.245 -2.889 -8.058 1.00 54.22 H new ATOM 0 HD1 PHE A 49 2.115 -4.362 -7.225 1.00 2.52 H new ATOM 0 HD2 PHE A 49 -1.699 -4.245 -5.331 1.00 3.12 H new ATOM 0 HE1 PHE A 49 2.604 -6.498 -6.115 1.00 13.14 H new ATOM 0 HE2 PHE A 49 -1.213 -6.381 -4.219 1.00 4.24 H new ATOM 0 HZ PHE A 49 0.938 -7.513 -4.610 1.00 70.21 H new ATOM 769 N GLU A 50 -0.877 -0.590 -4.629 1.00 43.22 N ATOM 770 CA GLU A 50 -1.434 -0.404 -3.294 1.00 62.35 C ATOM 771 C GLU A 50 -2.804 -1.067 -3.180 1.00 2.51 C ATOM 772 O GLU A 50 -3.807 -0.529 -3.650 1.00 22.22 O ATOM 773 CB GLU A 50 -1.547 1.086 -2.967 1.00 43.24 C ATOM 774 CG GLU A 50 -2.672 1.414 -2.000 1.00 70.44 C ATOM 775 CD GLU A 50 -2.433 2.705 -1.243 1.00 10.40 C ATOM 776 OE1 GLU A 50 -1.369 2.830 -0.602 1.00 64.13 O ATOM 777 OE2 GLU A 50 -3.311 3.592 -1.292 1.00 13.04 O ATOM 0 H GLU A 50 -1.213 0.078 -5.323 1.00 43.22 H new ATOM 0 HA GLU A 50 -0.761 -0.875 -2.578 1.00 62.35 H new ATOM 0 HB2 GLU A 50 -0.603 1.429 -2.543 1.00 43.24 H new ATOM 0 HB3 GLU A 50 -1.701 1.642 -3.892 1.00 43.24 H new ATOM 0 HG2 GLU A 50 -3.609 1.489 -2.551 1.00 70.44 H new ATOM 0 HG3 GLU A 50 -2.785 0.596 -1.289 1.00 70.44 H new ATOM 784 N VAL A 51 -2.838 -2.238 -2.552 1.00 42.21 N ATOM 785 CA VAL A 51 -4.084 -2.974 -2.375 1.00 25.23 C ATOM 786 C VAL A 51 -5.059 -2.201 -1.494 1.00 44.32 C ATOM 787 O VAL A 51 -4.735 -1.838 -0.364 1.00 11.02 O ATOM 788 CB VAL A 51 -3.833 -4.359 -1.750 1.00 25.43 C ATOM 789 CG1 VAL A 51 -2.905 -5.182 -2.630 1.00 63.53 C ATOM 790 CG2 VAL A 51 -3.261 -4.215 -0.347 1.00 71.13 C ATOM 0 H VAL A 51 -2.017 -2.697 -2.157 1.00 42.21 H new ATOM 0 HA VAL A 51 -4.519 -3.103 -3.366 1.00 25.23 H new ATOM 0 HB VAL A 51 -4.786 -4.883 -1.678 1.00 25.43 H new ATOM 0 HG11 VAL A 51 -2.739 -6.157 -2.172 1.00 63.53 H new ATOM 0 HG12 VAL A 51 -3.358 -5.315 -3.612 1.00 63.53 H new ATOM 0 HG13 VAL A 51 -1.952 -4.665 -2.737 1.00 63.53 H new ATOM 0 HG21 VAL A 51 -3.090 -5.203 0.079 1.00 71.13 H new ATOM 0 HG22 VAL A 51 -2.317 -3.671 -0.393 1.00 71.13 H new ATOM 0 HG23 VAL A 51 -3.965 -3.667 0.279 1.00 71.13 H new ATOM 800 N GLU A 52 -6.254 -1.952 -2.021 1.00 23.23 N ATOM 801 CA GLU A 52 -7.276 -1.221 -1.282 1.00 32.04 C ATOM 802 C GLU A 52 -8.448 -2.132 -0.928 1.00 31.20 C ATOM 803 O GLU A 52 -8.670 -3.171 -1.551 1.00 3.30 O ATOM 804 CB GLU A 52 -7.773 -0.027 -2.100 1.00 21.31 C ATOM 805 CG GLU A 52 -7.384 1.318 -1.511 1.00 13.31 C ATOM 806 CD GLU A 52 -8.484 2.354 -1.646 1.00 62.23 C ATOM 807 OE1 GLU A 52 -9.112 2.414 -2.724 1.00 71.50 O ATOM 808 OE2 GLU A 52 -8.716 3.104 -0.676 1.00 2.15 O ATOM 0 H GLU A 52 -6.538 -2.246 -2.956 1.00 23.23 H new ATOM 0 HA GLU A 52 -6.828 -0.857 -0.357 1.00 32.04 H new ATOM 0 HB2 GLU A 52 -7.375 -0.100 -3.112 1.00 21.31 H new ATOM 0 HB3 GLU A 52 -8.859 -0.079 -2.180 1.00 21.31 H new ATOM 0 HG2 GLU A 52 -7.137 1.191 -0.457 1.00 13.31 H new ATOM 0 HG3 GLU A 52 -6.485 1.682 -2.008 1.00 13.31 H new ATOM 815 N PRO A 53 -9.217 -1.736 0.097 1.00 50.40 N ATOM 816 CA PRO A 53 -10.379 -2.501 0.557 1.00 31.44 C ATOM 817 C PRO A 53 -11.528 -2.470 -0.444 1.00 51.15 C ATOM 818 O PRO A 53 -11.619 -3.322 -1.327 1.00 65.21 O ATOM 819 CB PRO A 53 -10.780 -1.792 1.853 1.00 32.55 C ATOM 820 CG PRO A 53 -10.273 -0.401 1.697 1.00 42.45 C ATOM 821 CD PRO A 53 -9.012 -0.509 0.885 1.00 44.41 C ATOM 0 HA PRO A 53 -10.145 -3.558 0.687 1.00 31.44 H new ATOM 0 HB2 PRO A 53 -11.861 -1.806 1.994 1.00 32.55 H new ATOM 0 HB3 PRO A 53 -10.339 -2.279 2.723 1.00 32.55 H new ATOM 0 HG2 PRO A 53 -11.008 0.228 1.195 1.00 42.45 H new ATOM 0 HG3 PRO A 53 -10.074 0.053 2.668 1.00 42.45 H new ATOM 0 HD2 PRO A 53 -8.871 0.361 0.244 1.00 44.41 H new ATOM 0 HD3 PRO A 53 -8.130 -0.583 1.521 1.00 44.41 H new ATOM 829 N GLY A 54 -12.405 -1.481 -0.302 1.00 0.51 N ATOM 830 CA GLY A 54 -13.537 -1.357 -1.202 1.00 44.30 C ATOM 831 C GLY A 54 -13.168 -0.680 -2.507 1.00 41.12 C ATOM 832 O GLY A 54 -13.700 0.380 -2.837 1.00 13.15 O ATOM 0 H GLY A 54 -12.352 -0.763 0.421 1.00 0.51 H new ATOM 0 HA2 GLY A 54 -13.941 -2.347 -1.412 1.00 44.30 H new ATOM 0 HA3 GLY A 54 -14.327 -0.788 -0.711 1.00 44.30 H new ATOM 836 N ARG A 55 -12.253 -1.292 -3.252 1.00 30.33 N ATOM 837 CA ARG A 55 -11.811 -0.740 -4.527 1.00 35.51 C ATOM 838 C ARG A 55 -11.833 -1.807 -5.618 1.00 32.33 C ATOM 839 O ARG A 55 -12.240 -1.545 -6.749 1.00 22.02 O ATOM 840 CB ARG A 55 -10.403 -0.159 -4.395 1.00 25.41 C ATOM 841 CG ARG A 55 -10.056 0.849 -5.478 1.00 3.00 C ATOM 842 CD ARG A 55 -10.643 2.218 -5.173 1.00 52.12 C ATOM 843 NE ARG A 55 -11.784 2.527 -6.031 1.00 12.33 N ATOM 844 CZ ARG A 55 -11.684 2.747 -7.337 1.00 23.21 C ATOM 845 NH1 ARG A 55 -10.501 2.691 -7.933 1.00 24.12 N ATOM 846 NH2 ARG A 55 -12.768 3.022 -8.050 1.00 53.40 N ATOM 0 H ARG A 55 -11.803 -2.171 -2.994 1.00 30.33 H new ATOM 0 HA ARG A 55 -12.500 0.057 -4.808 1.00 35.51 H new ATOM 0 HB2 ARG A 55 -10.307 0.320 -3.421 1.00 25.41 H new ATOM 0 HB3 ARG A 55 -9.679 -0.973 -4.423 1.00 25.41 H new ATOM 0 HG2 ARG A 55 -8.973 0.928 -5.569 1.00 3.00 H new ATOM 0 HG3 ARG A 55 -10.432 0.497 -6.439 1.00 3.00 H new ATOM 0 HD2 ARG A 55 -10.954 2.255 -4.129 1.00 52.12 H new ATOM 0 HD3 ARG A 55 -9.874 2.980 -5.304 1.00 52.12 H new ATOM 0 HE ARG A 55 -12.709 2.577 -5.604 1.00 12.33 H new ATOM 0 HH11 ARG A 55 -9.665 2.479 -7.388 1.00 24.12 H new ATOM 0 HH12 ARG A 55 -10.427 2.860 -8.936 1.00 24.12 H new ATOM 0 HH21 ARG A 55 -13.680 3.065 -7.595 1.00 53.40 H new ATOM 0 HH22 ARG A 55 -12.690 3.191 -9.053 1.00 53.40 H new ATOM 860 N GLY A 56 -11.392 -3.012 -5.269 1.00 62.20 N ATOM 861 CA GLY A 56 -11.368 -4.100 -6.229 1.00 73.12 C ATOM 862 C GLY A 56 -12.458 -5.123 -5.973 1.00 45.24 C ATOM 863 O GLY A 56 -12.870 -5.329 -4.833 1.00 25.13 O ATOM 0 H GLY A 56 -11.051 -3.254 -4.339 1.00 62.20 H new ATOM 0 HA2 GLY A 56 -11.482 -3.696 -7.235 1.00 73.12 H new ATOM 0 HA3 GLY A 56 -10.396 -4.592 -6.192 1.00 73.12 H new ATOM 867 N GLY A 57 -12.927 -5.765 -7.039 1.00 40.42 N ATOM 868 CA GLY A 57 -13.972 -6.762 -6.904 1.00 32.14 C ATOM 869 C GLY A 57 -13.670 -7.774 -5.816 1.00 72.23 C ATOM 870 O GLY A 57 -14.449 -7.939 -4.877 1.00 3.33 O ATOM 0 H GLY A 57 -12.601 -5.612 -7.993 1.00 40.42 H new ATOM 0 HA2 GLY A 57 -14.917 -6.266 -6.682 1.00 32.14 H new ATOM 0 HA3 GLY A 57 -14.100 -7.281 -7.854 1.00 32.14 H new ATOM 874 N LYS A 58 -12.537 -8.456 -5.943 1.00 72.44 N ATOM 875 CA LYS A 58 -12.133 -9.459 -4.965 1.00 10.34 C ATOM 876 C LYS A 58 -11.735 -8.803 -3.646 1.00 54.53 C ATOM 877 O LYS A 58 -11.538 -9.481 -2.639 1.00 14.41 O ATOM 878 CB LYS A 58 -10.967 -10.289 -5.506 1.00 4.42 C ATOM 879 CG LYS A 58 -11.290 -11.025 -6.794 1.00 73.01 C ATOM 880 CD LYS A 58 -11.917 -12.382 -6.519 1.00 11.53 C ATOM 881 CE LYS A 58 -13.410 -12.375 -6.809 1.00 12.24 C ATOM 882 NZ LYS A 58 -13.704 -12.772 -8.213 1.00 52.44 N ATOM 0 H LYS A 58 -11.882 -8.332 -6.715 1.00 72.44 H new ATOM 0 HA LYS A 58 -12.984 -10.115 -4.782 1.00 10.34 H new ATOM 0 HB2 LYS A 58 -10.113 -9.633 -5.677 1.00 4.42 H new ATOM 0 HB3 LYS A 58 -10.666 -11.013 -4.749 1.00 4.42 H new ATOM 0 HG2 LYS A 58 -11.971 -10.424 -7.397 1.00 73.01 H new ATOM 0 HG3 LYS A 58 -10.379 -11.156 -7.378 1.00 73.01 H new ATOM 0 HD2 LYS A 58 -11.430 -13.140 -7.132 1.00 11.53 H new ATOM 0 HD3 LYS A 58 -11.749 -12.658 -5.478 1.00 11.53 H new ATOM 0 HE2 LYS A 58 -13.916 -13.057 -6.125 1.00 12.24 H new ATOM 0 HE3 LYS A 58 -13.812 -11.379 -6.621 1.00 12.24 H new ATOM 0 HZ1 LYS A 58 -14.732 -12.755 -8.371 1.00 52.44 H new ATOM 0 HZ2 LYS A 58 -13.242 -12.107 -8.866 1.00 52.44 H new ATOM 0 HZ3 LYS A 58 -13.343 -13.732 -8.385 1.00 52.44 H new ATOM 896 N GLY A 59 -11.620 -7.478 -3.661 1.00 13.14 N ATOM 897 CA GLY A 59 -11.248 -6.753 -2.460 1.00 11.31 C ATOM 898 C GLY A 59 -9.998 -5.918 -2.651 1.00 44.42 C ATOM 899 O GLY A 59 -10.061 -4.708 -2.871 1.00 3.22 O ATOM 0 H GLY A 59 -11.778 -6.895 -4.483 1.00 13.14 H new ATOM 0 HA2 GLY A 59 -12.072 -6.105 -2.161 1.00 11.31 H new ATOM 0 HA3 GLY A 59 -11.088 -7.461 -1.647 1.00 11.31 H new ATOM 903 N PRO A 60 -8.828 -6.569 -2.566 1.00 40.41 N ATOM 904 CA PRO A 60 -7.535 -5.897 -2.727 1.00 62.23 C ATOM 905 C PRO A 60 -7.291 -5.446 -4.163 1.00 51.32 C ATOM 906 O PRO A 60 -7.147 -6.270 -5.066 1.00 5.33 O ATOM 907 CB PRO A 60 -6.524 -6.974 -2.326 1.00 64.14 C ATOM 908 CG PRO A 60 -7.222 -8.264 -2.585 1.00 30.53 C ATOM 909 CD PRO A 60 -8.678 -8.010 -2.307 1.00 22.34 C ATOM 0 HA PRO A 60 -7.471 -4.988 -2.129 1.00 62.23 H new ATOM 0 HB2 PRO A 60 -5.608 -6.895 -2.912 1.00 64.14 H new ATOM 0 HB3 PRO A 60 -6.241 -6.881 -1.278 1.00 64.14 H new ATOM 0 HG2 PRO A 60 -7.072 -8.589 -3.615 1.00 30.53 H new ATOM 0 HG3 PRO A 60 -6.834 -9.054 -1.942 1.00 30.53 H new ATOM 0 HD2 PRO A 60 -9.321 -8.604 -2.957 1.00 22.34 H new ATOM 0 HD3 PRO A 60 -8.941 -8.263 -1.280 1.00 22.34 H new ATOM 917 N GLN A 61 -7.246 -4.133 -4.366 1.00 53.04 N ATOM 918 CA GLN A 61 -7.020 -3.573 -5.694 1.00 30.24 C ATOM 919 C GLN A 61 -5.729 -2.762 -5.730 1.00 22.35 C ATOM 920 O GLN A 61 -5.178 -2.408 -4.688 1.00 23.22 O ATOM 921 CB GLN A 61 -8.201 -2.693 -6.107 1.00 43.10 C ATOM 922 CG GLN A 61 -8.541 -2.786 -7.586 1.00 21.33 C ATOM 923 CD GLN A 61 -9.329 -1.589 -8.080 1.00 20.40 C ATOM 924 OE1 GLN A 61 -10.441 -1.731 -8.589 1.00 33.12 O ATOM 925 NE2 GLN A 61 -8.756 -0.401 -7.933 1.00 4.25 N ATOM 0 H GLN A 61 -7.363 -3.438 -3.629 1.00 53.04 H new ATOM 0 HA GLN A 61 -6.928 -4.399 -6.399 1.00 30.24 H new ATOM 0 HB2 GLN A 61 -9.076 -2.977 -5.523 1.00 43.10 H new ATOM 0 HB3 GLN A 61 -7.975 -1.656 -5.859 1.00 43.10 H new ATOM 0 HG2 GLN A 61 -7.620 -2.872 -8.162 1.00 21.33 H new ATOM 0 HG3 GLN A 61 -9.116 -3.694 -7.766 1.00 21.33 H new ATOM 0 HE21 GLN A 61 -7.833 -0.330 -7.506 1.00 4.25 H new ATOM 0 HE22 GLN A 61 -9.239 0.441 -8.247 1.00 4.25 H new ATOM 934 N ALA A 62 -5.252 -2.472 -6.935 1.00 64.14 N ATOM 935 CA ALA A 62 -4.026 -1.702 -7.107 1.00 11.41 C ATOM 936 C ALA A 62 -4.312 -0.204 -7.089 1.00 54.14 C ATOM 937 O ALA A 62 -4.009 0.508 -8.047 1.00 10.10 O ATOM 938 CB ALA A 62 -3.333 -2.093 -8.404 1.00 34.54 C ATOM 0 H ALA A 62 -5.696 -2.759 -7.808 1.00 64.14 H new ATOM 0 HA ALA A 62 -3.364 -1.930 -6.272 1.00 11.41 H new ATOM 0 HB1 ALA A 62 -2.419 -1.510 -8.519 1.00 34.54 H new ATOM 0 HB2 ALA A 62 -3.085 -3.154 -8.379 1.00 34.54 H new ATOM 0 HB3 ALA A 62 -3.997 -1.896 -9.245 1.00 34.54 H new ATOM 944 N LYS A 63 -4.899 0.269 -5.995 1.00 21.11 N ATOM 945 CA LYS A 63 -5.226 1.682 -5.852 1.00 12.54 C ATOM 946 C LYS A 63 -4.075 2.559 -6.333 1.00 44.20 C ATOM 947 O LYS A 63 -4.285 3.551 -7.031 1.00 55.21 O ATOM 948 CB LYS A 63 -5.552 2.006 -4.392 1.00 1.23 C ATOM 949 CG LYS A 63 -6.700 2.987 -4.228 1.00 2.23 C ATOM 950 CD LYS A 63 -6.478 4.247 -5.047 1.00 43.50 C ATOM 951 CE LYS A 63 -7.209 4.182 -6.379 1.00 45.04 C ATOM 952 NZ LYS A 63 -7.569 5.537 -6.881 1.00 61.15 N ATOM 0 H LYS A 63 -5.158 -0.307 -5.194 1.00 21.11 H new ATOM 0 HA LYS A 63 -6.100 1.891 -6.469 1.00 12.54 H new ATOM 0 HB2 LYS A 63 -5.798 1.081 -3.870 1.00 1.23 H new ATOM 0 HB3 LYS A 63 -4.663 2.416 -3.913 1.00 1.23 H new ATOM 0 HG2 LYS A 63 -7.632 2.512 -4.535 1.00 2.23 H new ATOM 0 HG3 LYS A 63 -6.807 3.250 -3.176 1.00 2.23 H new ATOM 0 HD2 LYS A 63 -6.823 5.114 -4.483 1.00 43.50 H new ATOM 0 HD3 LYS A 63 -5.411 4.385 -5.223 1.00 43.50 H new ATOM 0 HE2 LYS A 63 -6.581 3.678 -7.114 1.00 45.04 H new ATOM 0 HE3 LYS A 63 -8.113 3.584 -6.268 1.00 45.04 H new ATOM 0 HZ1 LYS A 63 -8.066 5.450 -7.791 1.00 61.15 H new ATOM 0 HZ2 LYS A 63 -8.189 6.009 -6.192 1.00 61.15 H new ATOM 0 HZ3 LYS A 63 -6.704 6.100 -7.011 1.00 61.15 H new ATOM 966 N LYS A 64 -2.856 2.186 -5.957 1.00 40.40 N ATOM 967 CA LYS A 64 -1.670 2.936 -6.352 1.00 42.53 C ATOM 968 C LYS A 64 -0.634 2.018 -6.994 1.00 54.51 C ATOM 969 O LYS A 64 0.125 1.342 -6.300 1.00 42.14 O ATOM 970 CB LYS A 64 -1.059 3.642 -5.139 1.00 34.30 C ATOM 971 CG LYS A 64 -0.720 5.101 -5.391 1.00 20.44 C ATOM 972 CD LYS A 64 -1.320 6.004 -4.327 1.00 11.35 C ATOM 973 CE LYS A 64 -2.840 5.996 -4.380 1.00 71.55 C ATOM 974 NZ LYS A 64 -3.383 7.264 -4.941 1.00 65.14 N ATOM 0 H LYS A 64 -2.664 1.368 -5.379 1.00 40.40 H new ATOM 0 HA LYS A 64 -1.972 3.684 -7.086 1.00 42.53 H new ATOM 0 HB2 LYS A 64 -1.756 3.579 -4.303 1.00 34.30 H new ATOM 0 HB3 LYS A 64 -0.154 3.114 -4.840 1.00 34.30 H new ATOM 0 HG2 LYS A 64 0.363 5.226 -5.408 1.00 20.44 H new ATOM 0 HG3 LYS A 64 -1.090 5.397 -6.372 1.00 20.44 H new ATOM 0 HD2 LYS A 64 -0.988 5.677 -3.342 1.00 11.35 H new ATOM 0 HD3 LYS A 64 -0.956 7.022 -4.465 1.00 11.35 H new ATOM 0 HE2 LYS A 64 -3.178 5.156 -4.988 1.00 71.55 H new ATOM 0 HE3 LYS A 64 -3.237 5.843 -3.377 1.00 71.55 H new ATOM 0 HZ1 LYS A 64 -4.383 7.362 -4.673 1.00 65.14 H new ATOM 0 HZ2 LYS A 64 -2.843 8.069 -4.565 1.00 65.14 H new ATOM 0 HZ3 LYS A 64 -3.303 7.247 -5.978 1.00 65.14 H new ATOM 988 N VAL A 65 -0.608 2.001 -8.323 1.00 75.10 N ATOM 989 CA VAL A 65 0.336 1.168 -9.058 1.00 73.03 C ATOM 990 C VAL A 65 1.459 2.007 -9.656 1.00 42.30 C ATOM 991 O VAL A 65 1.235 3.129 -10.112 1.00 30.31 O ATOM 992 CB VAL A 65 -0.364 0.389 -10.187 1.00 74.53 C ATOM 993 CG1 VAL A 65 0.358 0.599 -11.509 1.00 52.23 C ATOM 994 CG2 VAL A 65 -0.443 -1.091 -9.843 1.00 71.22 C ATOM 0 H VAL A 65 -1.230 2.555 -8.912 1.00 75.10 H new ATOM 0 HA VAL A 65 0.756 0.460 -8.344 1.00 73.03 H new ATOM 0 HB VAL A 65 -1.380 0.770 -10.291 1.00 74.53 H new ATOM 0 HG11 VAL A 65 -0.151 0.041 -12.294 1.00 52.23 H new ATOM 0 HG12 VAL A 65 0.358 1.660 -11.759 1.00 52.23 H new ATOM 0 HG13 VAL A 65 1.386 0.247 -11.422 1.00 52.23 H new ATOM 0 HG21 VAL A 65 -0.941 -1.626 -10.652 1.00 71.22 H new ATOM 0 HG22 VAL A 65 0.563 -1.488 -9.710 1.00 71.22 H new ATOM 0 HG23 VAL A 65 -1.009 -1.220 -8.920 1.00 71.22 H new ATOM 1004 N ARG A 66 2.669 1.457 -9.651 1.00 32.40 N ATOM 1005 CA ARG A 66 3.828 2.155 -10.192 1.00 65.13 C ATOM 1006 C ARG A 66 4.641 1.237 -11.101 1.00 30.35 C ATOM 1007 O ARG A 66 4.617 0.015 -10.946 1.00 44.53 O ATOM 1008 CB ARG A 66 4.711 2.678 -9.057 1.00 52.34 C ATOM 1009 CG ARG A 66 4.631 4.184 -8.869 1.00 10.40 C ATOM 1010 CD ARG A 66 5.657 4.908 -9.726 1.00 43.25 C ATOM 1011 NE ARG A 66 5.926 6.258 -9.237 1.00 34.32 N ATOM 1012 CZ ARG A 66 6.456 7.219 -9.985 1.00 23.14 C ATOM 1013 NH1 ARG A 66 6.773 6.980 -11.250 1.00 4.33 N ATOM 1014 NH2 ARG A 66 6.670 8.422 -9.467 1.00 63.22 N ATOM 0 H ARG A 66 2.872 0.530 -9.278 1.00 32.40 H new ATOM 0 HA ARG A 66 3.469 2.998 -10.783 1.00 65.13 H new ATOM 0 HB2 ARG A 66 4.421 2.188 -8.127 1.00 52.34 H new ATOM 0 HB3 ARG A 66 5.746 2.399 -9.255 1.00 52.34 H new ATOM 0 HG2 ARG A 66 3.630 4.531 -9.126 1.00 10.40 H new ATOM 0 HG3 ARG A 66 4.793 4.430 -7.820 1.00 10.40 H new ATOM 0 HD2 ARG A 66 6.585 4.336 -9.740 1.00 43.25 H new ATOM 0 HD3 ARG A 66 5.298 4.960 -10.754 1.00 43.25 H new ATOM 0 HE ARG A 66 5.694 6.475 -8.268 1.00 34.32 H new ATOM 0 HH11 ARG A 66 6.610 6.056 -11.651 1.00 4.33 H new ATOM 0 HH12 ARG A 66 7.180 7.720 -11.822 1.00 4.33 H new ATOM 0 HH21 ARG A 66 6.427 8.609 -8.494 1.00 63.22 H new ATOM 0 HH22 ARG A 66 7.077 9.160 -10.042 1.00 63.22 H new ATOM 1028 N ARG A 67 5.358 1.833 -12.047 1.00 61.03 N ATOM 1029 CA ARG A 67 6.176 1.069 -12.981 1.00 63.13 C ATOM 1030 C ARG A 67 7.596 0.899 -12.447 1.00 74.34 C ATOM 1031 O ARG A 67 8.207 1.853 -11.966 1.00 52.44 O ATOM 1032 CB ARG A 67 6.212 1.761 -14.345 1.00 44.00 C ATOM 1033 CG ARG A 67 6.960 3.084 -14.337 1.00 3.22 C ATOM 1034 CD ARG A 67 6.500 3.991 -15.467 1.00 52.41 C ATOM 1035 NE ARG A 67 7.585 4.306 -16.393 1.00 35.00 N ATOM 1036 CZ ARG A 67 8.015 3.470 -17.331 1.00 44.23 C ATOM 1037 NH1 ARG A 67 7.456 2.276 -17.468 1.00 21.14 N ATOM 1038 NH2 ARG A 67 9.008 3.829 -18.136 1.00 75.11 N ATOM 0 H ARG A 67 5.389 2.843 -12.187 1.00 61.03 H new ATOM 0 HA ARG A 67 5.728 0.082 -13.094 1.00 63.13 H new ATOM 0 HB2 ARG A 67 6.679 1.094 -15.069 1.00 44.00 H new ATOM 0 HB3 ARG A 67 5.190 1.933 -14.683 1.00 44.00 H new ATOM 0 HG2 ARG A 67 6.805 3.585 -13.381 1.00 3.22 H new ATOM 0 HG3 ARG A 67 8.030 2.899 -14.430 1.00 3.22 H new ATOM 0 HD2 ARG A 67 5.688 3.509 -16.011 1.00 52.41 H new ATOM 0 HD3 ARG A 67 6.100 4.915 -15.050 1.00 52.41 H new ATOM 0 HE ARG A 67 8.037 5.217 -16.315 1.00 35.00 H new ATOM 0 HH11 ARG A 67 6.693 1.996 -16.852 1.00 21.14 H new ATOM 0 HH12 ARG A 67 7.789 1.637 -18.190 1.00 21.14 H new ATOM 0 HH21 ARG A 67 9.441 4.747 -18.034 1.00 75.11 H new ATOM 0 HH22 ARG A 67 9.338 3.187 -18.856 1.00 75.11 H new ATOM 1052 N ILE A 68 8.113 -0.322 -12.535 1.00 52.05 N ATOM 1053 CA ILE A 68 9.460 -0.616 -12.062 1.00 74.40 C ATOM 1054 C ILE A 68 10.187 -1.552 -13.021 1.00 63.13 C ATOM 1055 O ILE A 68 10.052 -2.773 -12.937 1.00 54.24 O ATOM 1056 CB ILE A 68 9.437 -1.253 -10.660 1.00 32.21 C ATOM 1057 CG1 ILE A 68 8.764 -0.312 -9.659 1.00 53.32 C ATOM 1058 CG2 ILE A 68 10.850 -1.592 -10.209 1.00 12.00 C ATOM 1059 CD1 ILE A 68 9.743 0.467 -8.810 1.00 2.44 C ATOM 0 H ILE A 68 7.620 -1.123 -12.929 1.00 52.05 H new ATOM 0 HA ILE A 68 9.992 0.334 -12.012 1.00 74.40 H new ATOM 0 HB ILE A 68 8.860 -2.176 -10.706 1.00 32.21 H new ATOM 0 HG12 ILE A 68 8.129 0.388 -10.201 1.00 53.32 H new ATOM 0 HG13 ILE A 68 8.113 -0.894 -9.007 1.00 53.32 H new ATOM 0 HG21 ILE A 68 10.817 -2.041 -9.216 1.00 12.00 H new ATOM 0 HG22 ILE A 68 11.297 -2.296 -10.911 1.00 12.00 H new ATOM 0 HG23 ILE A 68 11.449 -0.682 -10.176 1.00 12.00 H new ATOM 0 HD11 ILE A 68 9.196 1.113 -8.124 1.00 2.44 H new ATOM 0 HD12 ILE A 68 10.362 -0.226 -8.240 1.00 2.44 H new ATOM 0 HD13 ILE A 68 10.378 1.076 -9.453 1.00 2.44 H new