USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=11 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 Set 1.1: A 63 LYS NZ :NH3+ -157:sc= 0.526 (180deg=-0.274) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -162:sc= 0.0443 (180deg=0.00807) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Set 2.2: A 20 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.013) USER MOD Single : A 3 LYS NZ :NH3+ -126:sc= 0.809 (180deg=-0.202) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= -0.0276 (180deg=-0.0276) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0454 F(o=-0.94,f=-0.045) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0347 (180deg=-0.258) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -3.09! F(o=-3.6,f=-3.1!) USER MOD Single : A 29 HIS : no HD1:sc= -1.99 X(o=-2,f=-2.4) USER MOD Single : A 31 THR OG1 : rot -45:sc= 0.0687 USER MOD Single : A 42 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.4) USER MOD Single : A 46 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.24) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= -0.0327 (180deg=-0.238) USER MOD Single : A 61 GLN : amide:sc= -2.06 K(o=-2.1,f=-4.1) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.280 -2.433 -2.084 1.00 13.40 N ATOM 19 CA LYS A 2 3.164 -3.579 -2.260 1.00 13.15 C ATOM 20 C LYS A 2 3.766 -3.592 -3.661 1.00 10.11 C ATOM 21 O LYS A 2 3.116 -3.201 -4.631 1.00 23.10 O ATOM 22 CB LYS A 2 2.400 -4.881 -2.009 1.00 72.11 C ATOM 23 CG LYS A 2 1.698 -4.925 -0.663 1.00 31.31 C ATOM 24 CD LYS A 2 2.690 -5.074 0.479 1.00 51.44 C ATOM 25 CE LYS A 2 1.990 -5.068 1.829 1.00 24.02 C ATOM 26 NZ LYS A 2 1.631 -6.443 2.273 1.00 30.24 N ATOM 0 HA LYS A 2 3.975 -3.495 -1.537 1.00 13.15 H new ATOM 0 HB2 LYS A 2 1.661 -5.017 -2.799 1.00 72.11 H new ATOM 0 HB3 LYS A 2 3.095 -5.718 -2.074 1.00 72.11 H new ATOM 0 HG2 LYS A 2 1.117 -4.013 -0.525 1.00 31.31 H new ATOM 0 HG3 LYS A 2 0.994 -5.757 -0.646 1.00 31.31 H new ATOM 0 HD2 LYS A 2 3.246 -6.004 0.360 1.00 51.44 H new ATOM 0 HD3 LYS A 2 3.416 -4.262 0.440 1.00 51.44 H new ATOM 0 HE2 LYS A 2 2.638 -4.604 2.572 1.00 24.02 H new ATOM 0 HE3 LYS A 2 1.088 -4.459 1.768 1.00 24.02 H new ATOM 0 HZ1 LYS A 2 1.202 -6.401 3.219 1.00 30.24 H new ATOM 0 HZ2 LYS A 2 0.952 -6.858 1.603 1.00 30.24 H new ATOM 0 HZ3 LYS A 2 2.488 -7.032 2.307 1.00 30.24 H new ATOM 40 N LYS A 3 5.011 -4.045 -3.761 1.00 1.15 N ATOM 41 CA LYS A 3 5.701 -4.112 -5.043 1.00 50.03 C ATOM 42 C LYS A 3 5.969 -5.560 -5.442 1.00 2.32 C ATOM 43 O LYS A 3 6.369 -6.378 -4.614 1.00 41.44 O ATOM 44 CB LYS A 3 7.019 -3.337 -4.978 1.00 22.41 C ATOM 45 CG LYS A 3 6.860 -1.904 -4.500 1.00 75.34 C ATOM 46 CD LYS A 3 8.180 -1.326 -4.020 1.00 61.21 C ATOM 47 CE LYS A 3 8.144 0.194 -3.987 1.00 12.02 C ATOM 48 NZ LYS A 3 8.422 0.785 -5.325 1.00 61.11 N ATOM 0 H LYS A 3 5.563 -4.372 -2.968 1.00 1.15 H new ATOM 0 HA LYS A 3 5.058 -3.659 -5.797 1.00 50.03 H new ATOM 0 HB2 LYS A 3 7.705 -3.859 -4.311 1.00 22.41 H new ATOM 0 HB3 LYS A 3 7.477 -3.332 -5.967 1.00 22.41 H new ATOM 0 HG2 LYS A 3 6.467 -1.291 -5.311 1.00 75.34 H new ATOM 0 HG3 LYS A 3 6.131 -1.868 -3.691 1.00 75.34 H new ATOM 0 HD2 LYS A 3 8.405 -1.707 -3.024 1.00 61.21 H new ATOM 0 HD3 LYS A 3 8.984 -1.658 -4.677 1.00 61.21 H new ATOM 0 HE2 LYS A 3 7.166 0.527 -3.639 1.00 12.02 H new ATOM 0 HE3 LYS A 3 8.878 0.559 -3.269 1.00 12.02 H new ATOM 0 HZ1 LYS A 3 9.204 1.466 -5.248 1.00 61.11 H new ATOM 0 HZ2 LYS A 3 8.685 0.030 -5.990 1.00 61.11 H new ATOM 0 HZ3 LYS A 3 7.572 1.272 -5.673 1.00 61.11 H new ATOM 62 N GLY A 4 5.747 -5.869 -6.716 1.00 24.11 N ATOM 63 CA GLY A 4 5.972 -7.218 -7.202 1.00 31.15 C ATOM 64 C GLY A 4 5.907 -7.308 -8.713 1.00 71.43 C ATOM 65 O GLY A 4 5.544 -6.343 -9.386 1.00 43.31 O ATOM 0 H GLY A 4 5.415 -5.210 -7.420 1.00 24.11 H new ATOM 0 HA2 GLY A 4 6.948 -7.565 -6.862 1.00 31.15 H new ATOM 0 HA3 GLY A 4 5.227 -7.886 -6.769 1.00 31.15 H new ATOM 69 N THR A 5 6.261 -8.472 -9.251 1.00 12.40 N ATOM 70 CA THR A 5 6.244 -8.684 -10.693 1.00 10.22 C ATOM 71 C THR A 5 4.821 -8.882 -11.203 1.00 22.23 C ATOM 72 O THR A 5 3.930 -9.275 -10.450 1.00 22.43 O ATOM 73 CB THR A 5 7.095 -9.905 -11.091 1.00 12.41 C ATOM 74 OG1 THR A 5 7.002 -10.917 -10.082 1.00 52.41 O ATOM 75 CG2 THR A 5 8.551 -9.509 -11.287 1.00 15.12 C ATOM 0 H THR A 5 6.563 -9.282 -8.709 1.00 12.40 H new ATOM 0 HA THR A 5 6.669 -7.790 -11.149 1.00 10.22 H new ATOM 0 HB THR A 5 6.711 -10.296 -12.033 1.00 12.41 H new ATOM 0 HG1 THR A 5 7.544 -11.690 -10.343 1.00 52.41 H new ATOM 0 HG21 THR A 5 9.132 -10.387 -11.567 1.00 15.12 H new ATOM 0 HG22 THR A 5 8.621 -8.760 -12.076 1.00 15.12 H new ATOM 0 HG23 THR A 5 8.944 -9.095 -10.358 1.00 15.12 H new ATOM 83 N VAL A 6 4.614 -8.608 -12.487 1.00 21.31 N ATOM 84 CA VAL A 6 3.299 -8.759 -13.098 1.00 40.43 C ATOM 85 C VAL A 6 3.172 -10.103 -13.805 1.00 61.41 C ATOM 86 O VAL A 6 4.046 -10.496 -14.578 1.00 70.23 O ATOM 87 CB VAL A 6 3.018 -7.631 -14.109 1.00 71.12 C ATOM 88 CG1 VAL A 6 3.931 -7.759 -15.319 1.00 54.13 C ATOM 89 CG2 VAL A 6 1.556 -7.645 -14.530 1.00 20.52 C ATOM 0 H VAL A 6 5.340 -8.280 -13.124 1.00 21.31 H new ATOM 0 HA VAL A 6 2.567 -8.706 -12.292 1.00 40.43 H new ATOM 0 HB VAL A 6 3.224 -6.675 -13.627 1.00 71.12 H new ATOM 0 HG11 VAL A 6 3.718 -6.954 -16.022 1.00 54.13 H new ATOM 0 HG12 VAL A 6 4.971 -7.695 -14.999 1.00 54.13 H new ATOM 0 HG13 VAL A 6 3.759 -8.720 -15.805 1.00 54.13 H new ATOM 0 HG21 VAL A 6 1.375 -6.842 -15.244 1.00 20.52 H new ATOM 0 HG22 VAL A 6 1.320 -8.603 -14.994 1.00 20.52 H new ATOM 0 HG23 VAL A 6 0.924 -7.501 -13.654 1.00 20.52 H new ATOM 99 N LYS A 7 2.077 -10.806 -13.535 1.00 62.23 N ATOM 100 CA LYS A 7 1.833 -12.107 -14.146 1.00 71.42 C ATOM 101 C LYS A 7 1.281 -11.950 -15.560 1.00 23.05 C ATOM 102 O LYS A 7 1.584 -12.748 -16.446 1.00 65.04 O ATOM 103 CB LYS A 7 0.855 -12.919 -13.293 1.00 42.21 C ATOM 104 CG LYS A 7 1.070 -14.420 -13.383 1.00 40.32 C ATOM 105 CD LYS A 7 0.991 -15.077 -12.016 1.00 34.43 C ATOM 106 CE LYS A 7 -0.451 -15.231 -11.554 1.00 65.21 C ATOM 107 NZ LYS A 7 -0.989 -16.586 -11.858 1.00 41.15 N ATOM 0 H LYS A 7 1.344 -10.496 -12.897 1.00 62.23 H new ATOM 0 HA LYS A 7 2.784 -12.637 -14.203 1.00 71.42 H new ATOM 0 HB2 LYS A 7 0.950 -12.609 -12.252 1.00 42.21 H new ATOM 0 HB3 LYS A 7 -0.164 -12.687 -13.603 1.00 42.21 H new ATOM 0 HG2 LYS A 7 0.320 -14.857 -14.042 1.00 40.32 H new ATOM 0 HG3 LYS A 7 2.043 -14.623 -13.830 1.00 40.32 H new ATOM 0 HD2 LYS A 7 1.469 -16.056 -12.053 1.00 34.43 H new ATOM 0 HD3 LYS A 7 1.545 -14.480 -11.291 1.00 34.43 H new ATOM 0 HE2 LYS A 7 -0.510 -15.049 -10.481 1.00 65.21 H new ATOM 0 HE3 LYS A 7 -1.070 -14.477 -12.040 1.00 65.21 H new ATOM 0 HZ1 LYS A 7 -1.973 -16.651 -11.528 1.00 41.15 H new ATOM 0 HZ2 LYS A 7 -0.957 -16.750 -12.884 1.00 41.15 H new ATOM 0 HZ3 LYS A 7 -0.414 -17.305 -11.374 1.00 41.15 H new ATOM 121 N TRP A 8 0.472 -10.917 -15.762 1.00 1.41 N ATOM 122 CA TRP A 8 -0.120 -10.654 -17.069 1.00 33.43 C ATOM 123 C TRP A 8 -0.895 -9.341 -17.062 1.00 31.35 C ATOM 124 O TRP A 8 -1.545 -8.998 -16.074 1.00 5.15 O ATOM 125 CB TRP A 8 -1.045 -11.804 -17.472 1.00 64.24 C ATOM 126 CG TRP A 8 -2.348 -11.806 -16.733 1.00 32.13 C ATOM 127 CD1 TRP A 8 -3.410 -10.974 -16.942 1.00 14.41 C ATOM 128 CD2 TRP A 8 -2.726 -12.681 -15.664 1.00 61.13 C ATOM 129 NE1 TRP A 8 -4.426 -11.278 -16.068 1.00 22.34 N ATOM 130 CE2 TRP A 8 -4.031 -12.323 -15.274 1.00 11.40 C ATOM 131 CE3 TRP A 8 -2.090 -13.734 -15.001 1.00 3.53 C ATOM 132 CZ2 TRP A 8 -4.708 -12.979 -14.250 1.00 32.31 C ATOM 133 CZ3 TRP A 8 -2.763 -14.384 -13.984 1.00 70.13 C ATOM 134 CH2 TRP A 8 -4.061 -14.006 -13.617 1.00 54.03 C ATOM 0 H TRP A 8 0.211 -10.248 -15.038 1.00 1.41 H new ATOM 0 HA TRP A 8 0.688 -10.573 -17.797 1.00 33.43 H new ATOM 0 HB2 TRP A 8 -1.243 -11.743 -18.542 1.00 64.24 H new ATOM 0 HB3 TRP A 8 -0.534 -12.750 -17.295 1.00 64.24 H new ATOM 0 HD1 TRP A 8 -3.446 -10.191 -17.685 1.00 14.41 H new ATOM 0 HE1 TRP A 8 -5.327 -10.803 -16.018 1.00 22.34 H new ATOM 0 HE3 TRP A 8 -1.090 -14.034 -15.278 1.00 3.53 H new ATOM 0 HZ2 TRP A 8 -5.708 -12.688 -13.965 1.00 32.31 H new ATOM 0 HZ3 TRP A 8 -2.280 -15.197 -13.463 1.00 70.13 H new ATOM 0 HH2 TRP A 8 -4.561 -14.535 -12.819 1.00 54.03 H new ATOM 145 N PHE A 9 -0.823 -8.611 -18.169 1.00 50.42 N ATOM 146 CA PHE A 9 -1.518 -7.334 -18.290 1.00 23.15 C ATOM 147 C PHE A 9 -2.171 -7.198 -19.662 1.00 12.24 C ATOM 148 O PHE A 9 -1.493 -7.213 -20.688 1.00 12.10 O ATOM 149 CB PHE A 9 -0.545 -6.176 -18.058 1.00 62.12 C ATOM 150 CG PHE A 9 -1.217 -4.836 -17.975 1.00 14.33 C ATOM 151 CD1 PHE A 9 -1.556 -4.143 -19.126 1.00 14.13 C ATOM 152 CD2 PHE A 9 -1.510 -4.268 -16.745 1.00 32.20 C ATOM 153 CE1 PHE A 9 -2.176 -2.909 -19.052 1.00 63.44 C ATOM 154 CE2 PHE A 9 -2.130 -3.035 -16.665 1.00 62.44 C ATOM 155 CZ PHE A 9 -2.462 -2.355 -17.820 1.00 42.45 C ATOM 0 H PHE A 9 -0.290 -8.881 -18.996 1.00 50.42 H new ATOM 0 HA PHE A 9 -2.299 -7.300 -17.531 1.00 23.15 H new ATOM 0 HB2 PHE A 9 0.006 -6.355 -17.135 1.00 62.12 H new ATOM 0 HB3 PHE A 9 0.185 -6.158 -18.867 1.00 62.12 H new ATOM 0 HD1 PHE A 9 -1.333 -4.571 -20.092 1.00 14.13 H new ATOM 0 HD2 PHE A 9 -1.251 -4.795 -15.839 1.00 32.20 H new ATOM 0 HE1 PHE A 9 -2.436 -2.379 -19.957 1.00 63.44 H new ATOM 0 HE2 PHE A 9 -2.354 -2.604 -15.700 1.00 62.44 H new ATOM 0 HZ PHE A 9 -2.945 -1.391 -17.760 1.00 42.45 H new ATOM 165 N ASN A 10 -3.494 -7.065 -19.670 1.00 63.50 N ATOM 166 CA ASN A 10 -4.240 -6.928 -20.915 1.00 52.33 C ATOM 167 C ASN A 10 -4.582 -5.466 -21.186 1.00 14.45 C ATOM 168 O ASN A 10 -5.414 -4.875 -20.497 1.00 51.14 O ATOM 169 CB ASN A 10 -5.522 -7.761 -20.861 1.00 21.51 C ATOM 170 CG ASN A 10 -5.922 -8.297 -22.222 1.00 44.12 C ATOM 171 OD1 ASN A 10 -7.092 -7.888 -22.698 1.00 44.23 O flip ATOM 172 ND2 ASN A 10 -5.187 -9.069 -22.838 1.00 41.24 N flip ATOM 0 H ASN A 10 -4.070 -7.049 -18.829 1.00 63.50 H new ATOM 0 HA ASN A 10 -3.612 -7.293 -21.727 1.00 52.33 H new ATOM 0 HB2 ASN A 10 -5.382 -8.594 -20.172 1.00 21.51 H new ATOM 0 HB3 ASN A 10 -6.332 -7.151 -20.462 1.00 21.51 H new ATOM 0 HD21 ASN A 10 -4.296 -9.357 -22.433 1.00 41.24 H new ATOM 0 HD22 ASN A 10 -5.469 -9.421 -23.753 1.00 41.24 H new ATOM 179 N ALA A 11 -3.935 -4.888 -22.193 1.00 31.54 N ATOM 180 CA ALA A 11 -4.172 -3.497 -22.556 1.00 15.12 C ATOM 181 C ALA A 11 -5.461 -3.351 -23.357 1.00 74.04 C ATOM 182 O ALA A 11 -6.077 -2.286 -23.370 1.00 53.10 O ATOM 183 CB ALA A 11 -2.993 -2.949 -23.345 1.00 42.11 C ATOM 0 H ALA A 11 -3.242 -5.363 -22.772 1.00 31.54 H new ATOM 0 HA ALA A 11 -4.279 -2.921 -21.637 1.00 15.12 H new ATOM 0 HB1 ALA A 11 -3.184 -1.909 -23.609 1.00 42.11 H new ATOM 0 HB2 ALA A 11 -2.090 -3.009 -22.738 1.00 42.11 H new ATOM 0 HB3 ALA A 11 -2.859 -3.536 -24.254 1.00 42.11 H new ATOM 189 N GLU A 12 -5.863 -4.428 -24.026 1.00 24.05 N ATOM 190 CA GLU A 12 -7.078 -4.418 -24.831 1.00 11.40 C ATOM 191 C GLU A 12 -8.307 -4.174 -23.959 1.00 24.40 C ATOM 192 O GLU A 12 -9.205 -3.418 -24.329 1.00 32.42 O ATOM 193 CB GLU A 12 -7.228 -5.741 -25.585 1.00 51.50 C ATOM 194 CG GLU A 12 -6.267 -5.888 -26.753 1.00 14.21 C ATOM 195 CD GLU A 12 -6.150 -7.321 -27.234 1.00 44.13 C ATOM 196 OE1 GLU A 12 -6.957 -7.724 -28.098 1.00 22.22 O ATOM 197 OE2 GLU A 12 -5.251 -8.039 -26.748 1.00 12.11 O ATOM 0 H GLU A 12 -5.364 -5.318 -24.026 1.00 24.05 H new ATOM 0 HA GLU A 12 -6.999 -3.604 -25.552 1.00 11.40 H new ATOM 0 HB2 GLU A 12 -7.071 -6.566 -24.890 1.00 51.50 H new ATOM 0 HB3 GLU A 12 -8.250 -5.826 -25.954 1.00 51.50 H new ATOM 0 HG2 GLU A 12 -6.603 -5.258 -27.577 1.00 14.21 H new ATOM 0 HG3 GLU A 12 -5.282 -5.526 -26.456 1.00 14.21 H new ATOM 204 N LYS A 13 -8.339 -4.821 -22.799 1.00 23.41 N ATOM 205 CA LYS A 13 -9.455 -4.677 -21.872 1.00 50.32 C ATOM 206 C LYS A 13 -9.177 -3.577 -20.853 1.00 2.32 C ATOM 207 O LYS A 13 -10.066 -2.803 -20.502 1.00 14.22 O ATOM 208 CB LYS A 13 -9.721 -6.000 -21.151 1.00 4.13 C ATOM 209 CG LYS A 13 -10.418 -7.035 -22.016 1.00 64.42 C ATOM 210 CD LYS A 13 -11.788 -6.556 -22.465 1.00 21.02 C ATOM 211 CE LYS A 13 -12.766 -7.713 -22.601 1.00 11.20 C ATOM 212 NZ LYS A 13 -13.130 -8.290 -21.277 1.00 63.44 N ATOM 0 H LYS A 13 -7.604 -5.451 -22.478 1.00 23.41 H new ATOM 0 HA LYS A 13 -10.339 -4.400 -22.447 1.00 50.32 H new ATOM 0 HB2 LYS A 13 -8.774 -6.410 -20.801 1.00 4.13 H new ATOM 0 HB3 LYS A 13 -10.330 -5.807 -20.268 1.00 4.13 H new ATOM 0 HG2 LYS A 13 -9.804 -7.253 -22.890 1.00 64.42 H new ATOM 0 HG3 LYS A 13 -10.522 -7.966 -21.459 1.00 64.42 H new ATOM 0 HD2 LYS A 13 -12.175 -5.833 -21.747 1.00 21.02 H new ATOM 0 HD3 LYS A 13 -11.699 -6.039 -23.421 1.00 21.02 H new ATOM 0 HE2 LYS A 13 -13.668 -7.369 -23.107 1.00 11.20 H new ATOM 0 HE3 LYS A 13 -12.326 -8.489 -23.227 1.00 11.20 H new ATOM 0 HZ1 LYS A 13 -14.037 -8.793 -21.355 1.00 63.44 H new ATOM 0 HZ2 LYS A 13 -12.390 -8.955 -20.973 1.00 63.44 H new ATOM 0 HZ3 LYS A 13 -13.218 -7.525 -20.577 1.00 63.44 H new ATOM 226 N GLY A 14 -7.935 -3.513 -20.382 1.00 0.43 N ATOM 227 CA GLY A 14 -7.562 -2.503 -19.408 1.00 40.14 C ATOM 228 C GLY A 14 -7.506 -3.051 -17.996 1.00 65.55 C ATOM 229 O GLY A 14 -7.936 -2.393 -17.049 1.00 50.14 O ATOM 0 H GLY A 14 -7.181 -4.142 -20.657 1.00 0.43 H new ATOM 0 HA2 GLY A 14 -6.589 -2.090 -19.673 1.00 40.14 H new ATOM 0 HA3 GLY A 14 -8.278 -1.682 -19.448 1.00 40.14 H new ATOM 233 N TYR A 15 -6.975 -4.261 -17.854 1.00 40.14 N ATOM 234 CA TYR A 15 -6.868 -4.900 -16.548 1.00 43.21 C ATOM 235 C TYR A 15 -5.623 -5.779 -16.472 1.00 72.03 C ATOM 236 O TYR A 15 -4.961 -6.025 -17.479 1.00 64.12 O ATOM 237 CB TYR A 15 -8.115 -5.737 -16.263 1.00 35.24 C ATOM 238 CG TYR A 15 -8.142 -7.056 -17.001 1.00 64.24 C ATOM 239 CD1 TYR A 15 -8.151 -7.097 -18.390 1.00 61.30 C ATOM 240 CD2 TYR A 15 -8.156 -8.262 -16.310 1.00 51.42 C ATOM 241 CE1 TYR A 15 -8.176 -8.300 -19.069 1.00 24.21 C ATOM 242 CE2 TYR A 15 -8.179 -9.469 -16.981 1.00 33.23 C ATOM 243 CZ TYR A 15 -8.189 -9.483 -18.360 1.00 35.31 C ATOM 244 OH TYR A 15 -8.213 -10.684 -19.032 1.00 44.45 O ATOM 0 H TYR A 15 -6.612 -4.818 -18.627 1.00 40.14 H new ATOM 0 HA TYR A 15 -6.784 -4.117 -15.794 1.00 43.21 H new ATOM 0 HB2 TYR A 15 -8.176 -5.929 -15.192 1.00 35.24 H new ATOM 0 HB3 TYR A 15 -8.999 -5.160 -16.535 1.00 35.24 H new ATOM 0 HD1 TYR A 15 -8.138 -6.173 -18.948 1.00 61.30 H new ATOM 0 HD2 TYR A 15 -8.149 -8.255 -15.230 1.00 51.42 H new ATOM 0 HE1 TYR A 15 -8.185 -8.314 -20.149 1.00 24.21 H new ATOM 0 HE2 TYR A 15 -8.189 -10.397 -16.429 1.00 33.23 H new ATOM 0 HH TYR A 15 -8.218 -11.421 -18.386 1.00 44.45 H new ATOM 254 N GLY A 16 -5.312 -6.251 -15.269 1.00 11.34 N ATOM 255 CA GLY A 16 -4.149 -7.098 -15.082 1.00 2.13 C ATOM 256 C GLY A 16 -4.016 -7.594 -13.655 1.00 45.55 C ATOM 257 O GLY A 16 -4.824 -7.250 -12.793 1.00 11.20 O ATOM 0 H GLY A 16 -5.845 -6.062 -14.420 1.00 11.34 H new ATOM 0 HA2 GLY A 16 -4.213 -7.952 -15.756 1.00 2.13 H new ATOM 0 HA3 GLY A 16 -3.252 -6.543 -15.356 1.00 2.13 H new ATOM 261 N PHE A 17 -2.993 -8.405 -13.406 1.00 34.22 N ATOM 262 CA PHE A 17 -2.759 -8.952 -12.074 1.00 45.44 C ATOM 263 C PHE A 17 -1.278 -8.879 -11.710 1.00 75.42 C ATOM 264 O PHE A 17 -0.410 -9.120 -12.549 1.00 43.00 O ATOM 265 CB PHE A 17 -3.243 -10.401 -12.002 1.00 70.20 C ATOM 266 CG PHE A 17 -4.735 -10.530 -11.891 1.00 54.42 C ATOM 267 CD1 PHE A 17 -5.554 -10.189 -12.956 1.00 12.01 C ATOM 268 CD2 PHE A 17 -5.319 -10.991 -10.723 1.00 34.32 C ATOM 269 CE1 PHE A 17 -6.928 -10.305 -12.856 1.00 63.52 C ATOM 270 CE2 PHE A 17 -6.693 -11.110 -10.617 1.00 65.43 C ATOM 271 CZ PHE A 17 -7.498 -10.768 -11.686 1.00 5.10 C ATOM 0 H PHE A 17 -2.313 -8.698 -14.108 1.00 34.22 H new ATOM 0 HA PHE A 17 -3.322 -8.353 -11.358 1.00 45.44 H new ATOM 0 HB2 PHE A 17 -2.906 -10.933 -12.892 1.00 70.20 H new ATOM 0 HB3 PHE A 17 -2.779 -10.888 -11.144 1.00 70.20 H new ATOM 0 HD1 PHE A 17 -5.114 -9.829 -13.874 1.00 12.01 H new ATOM 0 HD2 PHE A 17 -4.694 -11.261 -9.885 1.00 34.32 H new ATOM 0 HE1 PHE A 17 -7.555 -10.034 -13.692 1.00 63.52 H new ATOM 0 HE2 PHE A 17 -7.136 -11.470 -9.700 1.00 65.43 H new ATOM 0 HZ PHE A 17 -8.571 -10.862 -11.607 1.00 5.10 H new ATOM 281 N ILE A 18 -1.000 -8.546 -10.454 1.00 70.25 N ATOM 282 CA ILE A 18 0.374 -8.443 -9.979 1.00 11.32 C ATOM 283 C ILE A 18 0.636 -9.419 -8.837 1.00 75.33 C ATOM 284 O ILE A 18 -0.253 -9.701 -8.033 1.00 64.04 O ATOM 285 CB ILE A 18 0.699 -7.015 -9.502 1.00 54.43 C ATOM 286 CG1 ILE A 18 0.481 -6.013 -10.638 1.00 10.30 C ATOM 287 CG2 ILE A 18 2.129 -6.940 -8.989 1.00 50.24 C ATOM 288 CD1 ILE A 18 0.107 -4.628 -10.159 1.00 11.45 C ATOM 0 H ILE A 18 -1.707 -8.343 -9.748 1.00 70.25 H new ATOM 0 HA ILE A 18 1.018 -8.692 -10.822 1.00 11.32 H new ATOM 0 HB ILE A 18 0.027 -6.759 -8.683 1.00 54.43 H new ATOM 0 HG12 ILE A 18 1.391 -5.949 -11.235 1.00 10.30 H new ATOM 0 HG13 ILE A 18 -0.305 -6.386 -11.295 1.00 10.30 H new ATOM 0 HG21 ILE A 18 2.343 -5.925 -8.656 1.00 50.24 H new ATOM 0 HG22 ILE A 18 2.253 -7.630 -8.154 1.00 50.24 H new ATOM 0 HG23 ILE A 18 2.817 -7.212 -9.789 1.00 50.24 H new ATOM 0 HD11 ILE A 18 -0.032 -3.971 -11.018 1.00 11.45 H new ATOM 0 HD12 ILE A 18 -0.820 -4.679 -9.587 1.00 11.45 H new ATOM 0 HD13 ILE A 18 0.903 -4.235 -9.526 1.00 11.45 H new ATOM 300 N GLN A 19 1.861 -9.931 -8.772 1.00 54.34 N ATOM 301 CA GLN A 19 2.239 -10.875 -7.728 1.00 63.10 C ATOM 302 C GLN A 19 3.279 -10.266 -6.794 1.00 3.52 C ATOM 303 O GLN A 19 4.389 -9.941 -7.214 1.00 43.31 O ATOM 304 CB GLN A 19 2.786 -12.162 -8.349 1.00 32.05 C ATOM 305 CG GLN A 19 2.138 -12.520 -9.676 1.00 60.04 C ATOM 306 CD GLN A 19 0.639 -12.712 -9.561 1.00 53.14 C ATOM 307 OE1 GLN A 19 -0.121 -11.874 -10.257 1.00 14.52 O flip ATOM 308 NE2 GLN A 19 0.168 -13.604 -8.855 1.00 42.31 N flip ATOM 0 H GLN A 19 2.608 -9.708 -9.430 1.00 54.34 H new ATOM 0 HA GLN A 19 1.348 -11.110 -7.146 1.00 63.10 H new ATOM 0 HB2 GLN A 19 3.861 -12.056 -8.496 1.00 32.05 H new ATOM 0 HB3 GLN A 19 2.639 -12.984 -7.649 1.00 32.05 H new ATOM 0 HG2 GLN A 19 2.345 -11.733 -10.401 1.00 60.04 H new ATOM 0 HG3 GLN A 19 2.589 -13.435 -10.061 1.00 60.04 H new ATOM 0 HE21 GLN A 19 0.789 -14.226 -8.337 1.00 42.31 H new ATOM 0 HE22 GLN A 19 -0.843 -13.721 -8.788 1.00 42.31 H new ATOM 317 N GLN A 20 2.911 -10.113 -5.526 1.00 25.23 N ATOM 318 CA GLN A 20 3.813 -9.541 -4.533 1.00 21.33 C ATOM 319 C GLN A 20 4.477 -10.637 -3.705 1.00 15.12 C ATOM 320 O GLN A 20 4.306 -11.824 -3.980 1.00 31.15 O ATOM 321 CB GLN A 20 3.053 -8.582 -3.615 1.00 40.14 C ATOM 322 CG GLN A 20 1.759 -9.161 -3.067 1.00 71.23 C ATOM 323 CD GLN A 20 1.206 -8.359 -1.906 1.00 51.31 C ATOM 324 OE1 GLN A 20 0.044 -7.950 -1.916 1.00 44.03 O ATOM 325 NE2 GLN A 20 2.037 -8.129 -0.896 1.00 52.32 N ATOM 0 H GLN A 20 1.995 -10.377 -5.162 1.00 25.23 H new ATOM 0 HA GLN A 20 4.590 -8.988 -5.061 1.00 21.33 H new ATOM 0 HB2 GLN A 20 3.698 -8.303 -2.782 1.00 40.14 H new ATOM 0 HB3 GLN A 20 2.828 -7.668 -4.165 1.00 40.14 H new ATOM 0 HG2 GLN A 20 1.016 -9.199 -3.864 1.00 71.23 H new ATOM 0 HG3 GLN A 20 1.933 -10.188 -2.744 1.00 71.23 H new ATOM 0 HE21 GLN A 20 2.992 -8.487 -0.929 1.00 52.32 H new ATOM 0 HE22 GLN A 20 1.721 -7.595 -0.087 1.00 52.32 H new ATOM 397 N VAL A 26 -3.170 -9.711 -7.344 1.00 40.25 N ATOM 398 CA VAL A 26 -3.913 -8.508 -6.989 1.00 4.35 C ATOM 399 C VAL A 26 -4.718 -7.988 -8.174 1.00 70.11 C ATOM 400 O VAL A 26 -4.340 -8.185 -9.329 1.00 51.12 O ATOM 401 CB VAL A 26 -2.972 -7.393 -6.493 1.00 62.32 C ATOM 402 CG1 VAL A 26 -2.523 -6.518 -7.654 1.00 22.43 C ATOM 403 CG2 VAL A 26 -3.653 -6.560 -5.419 1.00 13.42 C ATOM 0 HA VAL A 26 -4.594 -8.784 -6.184 1.00 4.35 H new ATOM 0 HB VAL A 26 -2.088 -7.856 -6.055 1.00 62.32 H new ATOM 0 HG11 VAL A 26 -1.859 -5.736 -7.285 1.00 22.43 H new ATOM 0 HG12 VAL A 26 -1.993 -7.128 -8.386 1.00 22.43 H new ATOM 0 HG13 VAL A 26 -3.394 -6.062 -8.124 1.00 22.43 H new ATOM 0 HG21 VAL A 26 -2.974 -5.777 -5.080 1.00 13.42 H new ATOM 0 HG22 VAL A 26 -4.555 -6.105 -5.829 1.00 13.42 H new ATOM 0 HG23 VAL A 26 -3.919 -7.199 -4.577 1.00 13.42 H new ATOM 413 N PHE A 27 -5.830 -7.323 -7.881 1.00 35.03 N ATOM 414 CA PHE A 27 -6.691 -6.775 -8.923 1.00 3.33 C ATOM 415 C PHE A 27 -6.191 -5.406 -9.376 1.00 61.24 C ATOM 416 O PHE A 27 -6.181 -4.449 -8.603 1.00 3.42 O ATOM 417 CB PHE A 27 -8.131 -6.663 -8.418 1.00 41.51 C ATOM 418 CG PHE A 27 -9.149 -6.600 -9.520 1.00 51.14 C ATOM 419 CD1 PHE A 27 -9.668 -7.762 -10.069 1.00 41.41 C ATOM 420 CD2 PHE A 27 -9.587 -5.379 -10.008 1.00 72.23 C ATOM 421 CE1 PHE A 27 -10.605 -7.708 -11.083 1.00 54.54 C ATOM 422 CE2 PHE A 27 -10.525 -5.319 -11.022 1.00 3.00 C ATOM 423 CZ PHE A 27 -11.033 -6.484 -11.561 1.00 75.50 C ATOM 0 H PHE A 27 -6.157 -7.150 -6.930 1.00 35.03 H new ATOM 0 HA PHE A 27 -6.665 -7.453 -9.776 1.00 3.33 H new ATOM 0 HB2 PHE A 27 -8.351 -7.518 -7.779 1.00 41.51 H new ATOM 0 HB3 PHE A 27 -8.222 -5.771 -7.799 1.00 41.51 H new ATOM 0 HD1 PHE A 27 -9.336 -8.721 -9.700 1.00 41.41 H new ATOM 0 HD2 PHE A 27 -9.191 -4.464 -9.592 1.00 72.23 H new ATOM 0 HE1 PHE A 27 -11.002 -8.621 -11.501 1.00 54.54 H new ATOM 0 HE2 PHE A 27 -10.860 -4.361 -11.392 1.00 3.00 H new ATOM 0 HZ PHE A 27 -11.764 -6.439 -12.355 1.00 75.50 H new ATOM 433 N VAL A 28 -5.776 -5.322 -10.636 1.00 60.35 N ATOM 434 CA VAL A 28 -5.275 -4.072 -11.195 1.00 30.02 C ATOM 435 C VAL A 28 -6.049 -3.681 -12.449 1.00 11.14 C ATOM 436 O VAL A 28 -6.450 -4.538 -13.237 1.00 21.14 O ATOM 437 CB VAL A 28 -3.777 -4.172 -11.540 1.00 12.34 C ATOM 438 CG1 VAL A 28 -3.128 -5.314 -10.774 1.00 63.31 C ATOM 439 CG2 VAL A 28 -3.587 -4.347 -13.039 1.00 24.04 C ATOM 0 H VAL A 28 -5.777 -6.105 -11.289 1.00 60.35 H new ATOM 0 HA VAL A 28 -5.414 -3.306 -10.432 1.00 30.02 H new ATOM 0 HB VAL A 28 -3.290 -3.244 -11.241 1.00 12.34 H new ATOM 0 HG11 VAL A 28 -2.070 -5.369 -11.030 1.00 63.31 H new ATOM 0 HG12 VAL A 28 -3.233 -5.140 -9.703 1.00 63.31 H new ATOM 0 HG13 VAL A 28 -3.615 -6.253 -11.039 1.00 63.31 H new ATOM 0 HG21 VAL A 28 -2.523 -4.416 -13.265 1.00 24.04 H new ATOM 0 HG22 VAL A 28 -4.087 -5.259 -13.365 1.00 24.04 H new ATOM 0 HG23 VAL A 28 -4.015 -3.492 -13.562 1.00 24.04 H new ATOM 449 N HIS A 29 -6.256 -2.380 -12.628 1.00 61.10 N ATOM 450 CA HIS A 29 -6.982 -1.874 -13.788 1.00 23.23 C ATOM 451 C HIS A 29 -6.386 -0.554 -14.268 1.00 13.03 C ATOM 452 O HIS A 29 -5.683 0.129 -13.523 1.00 25.41 O ATOM 453 CB HIS A 29 -8.461 -1.687 -13.448 1.00 44.43 C ATOM 454 CG HIS A 29 -9.353 -2.716 -14.070 1.00 31.41 C ATOM 455 ND1 HIS A 29 -10.197 -2.442 -15.125 1.00 73.32 N ATOM 456 CD2 HIS A 29 -9.529 -4.027 -13.780 1.00 44.21 C ATOM 457 CE1 HIS A 29 -10.855 -3.539 -15.456 1.00 62.25 C ATOM 458 NE2 HIS A 29 -10.467 -4.515 -14.656 1.00 21.43 N ATOM 0 H HIS A 29 -5.932 -1.658 -11.985 1.00 61.10 H new ATOM 0 HA HIS A 29 -6.892 -2.606 -14.591 1.00 23.23 H new ATOM 0 HB2 HIS A 29 -8.583 -1.719 -12.365 1.00 44.43 H new ATOM 0 HB3 HIS A 29 -8.778 -0.697 -13.776 1.00 44.43 H new ATOM 0 HD2 HIS A 29 -9.025 -4.585 -13.004 1.00 44.21 H new ATOM 0 HE1 HIS A 29 -11.586 -3.623 -16.247 1.00 62.25 H new ATOM 0 HE2 HIS A 29 -10.809 -5.476 -14.684 1.00 21.43 H new ATOM 466 N PHE A 30 -6.673 -0.201 -15.516 1.00 44.43 N ATOM 467 CA PHE A 30 -6.164 1.037 -16.096 1.00 70.14 C ATOM 468 C PHE A 30 -6.624 2.246 -15.287 1.00 54.15 C ATOM 469 O PHE A 30 -6.041 3.327 -15.377 1.00 20.00 O ATOM 470 CB PHE A 30 -6.628 1.173 -17.548 1.00 14.31 C ATOM 471 CG PHE A 30 -8.065 1.592 -17.681 1.00 22.41 C ATOM 472 CD1 PHE A 30 -9.088 0.709 -17.376 1.00 72.41 C ATOM 473 CD2 PHE A 30 -8.392 2.868 -18.110 1.00 63.32 C ATOM 474 CE1 PHE A 30 -10.411 1.091 -17.498 1.00 62.25 C ATOM 475 CE2 PHE A 30 -9.713 3.256 -18.234 1.00 64.31 C ATOM 476 CZ PHE A 30 -10.723 2.366 -17.927 1.00 14.22 C ATOM 0 H PHE A 30 -7.255 -0.754 -16.145 1.00 44.43 H new ATOM 0 HA PHE A 30 -5.075 1.000 -16.072 1.00 70.14 H new ATOM 0 HB2 PHE A 30 -5.997 1.902 -18.056 1.00 14.31 H new ATOM 0 HB3 PHE A 30 -6.487 0.220 -18.057 1.00 14.31 H new ATOM 0 HD1 PHE A 30 -8.849 -0.289 -17.039 1.00 72.41 H new ATOM 0 HD2 PHE A 30 -7.605 3.568 -18.350 1.00 63.32 H new ATOM 0 HE1 PHE A 30 -11.200 0.393 -17.258 1.00 62.25 H new ATOM 0 HE2 PHE A 30 -9.955 4.253 -18.570 1.00 64.31 H new ATOM 0 HZ PHE A 30 -11.756 2.667 -18.022 1.00 14.22 H new ATOM 486 N THR A 31 -7.677 2.056 -14.497 1.00 45.22 N ATOM 487 CA THR A 31 -8.217 3.130 -13.674 1.00 14.05 C ATOM 488 C THR A 31 -7.542 3.169 -12.308 1.00 5.22 C ATOM 489 O THR A 31 -7.944 3.929 -11.427 1.00 44.14 O ATOM 490 CB THR A 31 -9.737 2.976 -13.477 1.00 55.22 C ATOM 491 OG1 THR A 31 -10.317 2.336 -14.620 1.00 3.33 O ATOM 492 CG2 THR A 31 -10.395 4.331 -13.261 1.00 20.23 C ATOM 0 H THR A 31 -8.172 1.168 -14.410 1.00 45.22 H new ATOM 0 HA THR A 31 -8.018 4.063 -14.202 1.00 14.05 H new ATOM 0 HB THR A 31 -9.906 2.362 -12.592 1.00 55.22 H new ATOM 0 HG1 THR A 31 -9.957 2.738 -15.438 1.00 3.33 H new ATOM 0 HG21 THR A 31 -11.468 4.197 -13.124 1.00 20.23 H new ATOM 0 HG22 THR A 31 -9.973 4.803 -12.374 1.00 20.23 H new ATOM 0 HG23 THR A 31 -10.216 4.965 -14.130 1.00 20.23 H new ATOM 500 N ALA A 32 -6.512 2.346 -12.138 1.00 71.13 N ATOM 501 CA ALA A 32 -5.779 2.289 -10.880 1.00 65.01 C ATOM 502 C ALA A 32 -4.273 2.335 -11.120 1.00 33.04 C ATOM 503 O ALA A 32 -3.483 2.216 -10.183 1.00 45.31 O ATOM 504 CB ALA A 32 -6.154 1.033 -10.107 1.00 3.42 C ATOM 0 H ALA A 32 -6.167 1.710 -12.856 1.00 71.13 H new ATOM 0 HA ALA A 32 -6.053 3.162 -10.288 1.00 65.01 H new ATOM 0 HB1 ALA A 32 -5.599 1.003 -9.169 1.00 3.42 H new ATOM 0 HB2 ALA A 32 -7.223 1.042 -9.896 1.00 3.42 H new ATOM 0 HB3 ALA A 32 -5.909 0.153 -10.702 1.00 3.42 H new ATOM 510 N ILE A 33 -3.884 2.507 -12.378 1.00 52.13 N ATOM 511 CA ILE A 33 -2.473 2.569 -12.740 1.00 34.14 C ATOM 512 C ILE A 33 -1.958 4.004 -12.701 1.00 34.32 C ATOM 513 O ILE A 33 -2.520 4.892 -13.341 1.00 3.00 O ATOM 514 CB ILE A 33 -2.225 1.984 -14.143 1.00 15.13 C ATOM 515 CG1 ILE A 33 -2.533 0.485 -14.156 1.00 53.41 C ATOM 516 CG2 ILE A 33 -0.790 2.239 -14.577 1.00 2.53 C ATOM 517 CD1 ILE A 33 -2.814 -0.061 -15.538 1.00 73.42 C ATOM 0 H ILE A 33 -4.526 2.606 -13.164 1.00 52.13 H new ATOM 0 HA ILE A 33 -1.933 1.971 -12.006 1.00 34.14 H new ATOM 0 HB ILE A 33 -2.891 2.479 -14.850 1.00 15.13 H new ATOM 0 HG12 ILE A 33 -1.690 -0.055 -13.725 1.00 53.41 H new ATOM 0 HG13 ILE A 33 -3.394 0.294 -13.516 1.00 53.41 H new ATOM 0 HG21 ILE A 33 -0.630 1.820 -15.570 1.00 2.53 H new ATOM 0 HG22 ILE A 33 -0.603 3.312 -14.602 1.00 2.53 H new ATOM 0 HG23 ILE A 33 -0.107 1.768 -13.870 1.00 2.53 H new ATOM 0 HD11 ILE A 33 -3.024 -1.129 -15.472 1.00 73.42 H new ATOM 0 HD12 ILE A 33 -3.676 0.453 -15.964 1.00 73.42 H new ATOM 0 HD13 ILE A 33 -1.945 0.099 -16.176 1.00 73.42 H new ATOM 529 N GLU A 34 -0.886 4.221 -11.947 1.00 5.44 N ATOM 530 CA GLU A 34 -0.294 5.549 -11.826 1.00 33.13 C ATOM 531 C GLU A 34 1.060 5.607 -12.526 1.00 24.13 C ATOM 532 O GLU A 34 2.102 5.400 -11.904 1.00 32.24 O ATOM 533 CB GLU A 34 -0.136 5.929 -10.352 1.00 22.41 C ATOM 534 CG GLU A 34 -1.386 5.685 -9.523 1.00 25.12 C ATOM 535 CD GLU A 34 -1.800 6.903 -8.720 1.00 64.10 C ATOM 536 OE1 GLU A 34 -0.912 7.705 -8.360 1.00 35.34 O ATOM 537 OE2 GLU A 34 -3.010 7.054 -8.452 1.00 43.31 O ATOM 0 H GLU A 34 -0.409 3.496 -11.411 1.00 5.44 H new ATOM 0 HA GLU A 34 -0.963 6.262 -12.308 1.00 33.13 H new ATOM 0 HB2 GLU A 34 0.690 5.360 -9.925 1.00 22.41 H new ATOM 0 HB3 GLU A 34 0.135 6.983 -10.284 1.00 22.41 H new ATOM 0 HG2 GLU A 34 -2.204 5.394 -10.182 1.00 25.12 H new ATOM 0 HG3 GLU A 34 -1.211 4.850 -8.845 1.00 25.12 H new ATOM 631 N LEU A 41 1.890 -2.561 -19.067 1.00 4.01 N ATOM 632 CA LEU A 41 2.886 -3.349 -18.348 1.00 50.24 C ATOM 633 C LEU A 41 3.343 -4.541 -19.183 1.00 43.33 C ATOM 634 O LEU A 41 2.698 -4.908 -20.164 1.00 42.34 O ATOM 635 CB LEU A 41 2.315 -3.835 -17.015 1.00 2.30 C ATOM 636 CG LEU A 41 2.362 -2.833 -15.860 1.00 73.42 C ATOM 637 CD1 LEU A 41 1.580 -1.577 -16.211 1.00 74.30 C ATOM 638 CD2 LEU A 41 1.819 -3.463 -14.586 1.00 31.52 C ATOM 0 HA LEU A 41 3.749 -2.711 -18.156 1.00 50.24 H new ATOM 0 HB2 LEU A 41 1.277 -4.129 -17.173 1.00 2.30 H new ATOM 0 HB3 LEU A 41 2.858 -4.731 -16.715 1.00 2.30 H new ATOM 0 HG LEU A 41 3.401 -2.553 -15.689 1.00 73.42 H new ATOM 0 HD11 LEU A 41 1.625 -0.876 -15.378 1.00 74.30 H new ATOM 0 HD12 LEU A 41 2.013 -1.115 -17.098 1.00 74.30 H new ATOM 0 HD13 LEU A 41 0.541 -1.839 -16.409 1.00 74.30 H new ATOM 0 HD21 LEU A 41 1.860 -2.736 -13.775 1.00 31.52 H new ATOM 0 HD22 LEU A 41 0.786 -3.772 -14.745 1.00 31.52 H new ATOM 0 HD23 LEU A 41 2.422 -4.333 -14.325 1.00 31.52 H new ATOM 650 N ASN A 42 4.460 -5.142 -18.785 1.00 74.01 N ATOM 651 CA ASN A 42 5.003 -6.294 -19.496 1.00 35.02 C ATOM 652 C ASN A 42 5.224 -7.466 -18.544 1.00 55.20 C ATOM 653 O ASN A 42 5.876 -7.323 -17.510 1.00 73.44 O ATOM 654 CB ASN A 42 6.320 -5.923 -20.180 1.00 53.02 C ATOM 655 CG ASN A 42 6.226 -4.616 -20.944 1.00 61.44 C ATOM 656 OD1 ASN A 42 6.240 -3.536 -20.354 1.00 24.54 O ATOM 657 ND2 ASN A 42 6.129 -4.710 -22.266 1.00 4.45 N ATOM 0 H ASN A 42 5.006 -4.851 -17.974 1.00 74.01 H new ATOM 0 HA ASN A 42 4.280 -6.596 -20.254 1.00 35.02 H new ATOM 0 HB2 ASN A 42 7.107 -5.846 -19.430 1.00 53.02 H new ATOM 0 HB3 ASN A 42 6.608 -6.721 -20.864 1.00 53.02 H new ATOM 0 HD21 ASN A 42 6.062 -3.865 -22.834 1.00 4.45 H new ATOM 0 HD22 ASN A 42 6.121 -5.627 -22.713 1.00 4.45 H new ATOM 664 N GLU A 43 4.676 -8.623 -18.902 1.00 32.14 N ATOM 665 CA GLU A 43 4.813 -9.819 -18.079 1.00 24.12 C ATOM 666 C GLU A 43 6.277 -10.073 -17.729 1.00 33.24 C ATOM 667 O GLU A 43 7.131 -10.162 -18.610 1.00 11.54 O ATOM 668 CB GLU A 43 4.233 -11.034 -18.805 1.00 71.32 C ATOM 669 CG GLU A 43 4.393 -12.336 -18.038 1.00 3.11 C ATOM 670 CD GLU A 43 4.092 -13.555 -18.888 1.00 24.12 C ATOM 671 OE1 GLU A 43 2.901 -13.806 -19.165 1.00 62.24 O ATOM 672 OE2 GLU A 43 5.049 -14.258 -19.276 1.00 21.05 O ATOM 0 H GLU A 43 4.134 -8.757 -19.755 1.00 32.14 H new ATOM 0 HA GLU A 43 4.258 -9.659 -17.155 1.00 24.12 H new ATOM 0 HB2 GLU A 43 3.173 -10.862 -18.994 1.00 71.32 H new ATOM 0 HB3 GLU A 43 4.718 -11.132 -19.776 1.00 71.32 H new ATOM 0 HG2 GLU A 43 5.412 -12.406 -17.657 1.00 3.11 H new ATOM 0 HG3 GLU A 43 3.729 -12.328 -17.173 1.00 3.11 H new ATOM 679 N GLY A 44 6.558 -10.189 -16.434 1.00 60.32 N ATOM 680 CA GLY A 44 7.918 -10.431 -15.989 1.00 60.34 C ATOM 681 C GLY A 44 8.567 -9.191 -15.407 1.00 32.31 C ATOM 682 O GLY A 44 9.614 -9.274 -14.766 1.00 33.42 O ATOM 0 H GLY A 44 5.868 -10.120 -15.686 1.00 60.32 H new ATOM 0 HA2 GLY A 44 7.916 -11.222 -15.239 1.00 60.34 H new ATOM 0 HA3 GLY A 44 8.514 -10.789 -16.829 1.00 60.34 H new ATOM 686 N GLU A 45 7.944 -8.038 -15.632 1.00 23.32 N ATOM 687 CA GLU A 45 8.470 -6.776 -15.126 1.00 42.20 C ATOM 688 C GLU A 45 7.951 -6.495 -13.719 1.00 54.30 C ATOM 689 O GLU A 45 6.928 -7.040 -13.302 1.00 25.41 O ATOM 690 CB GLU A 45 8.088 -5.627 -16.062 1.00 32.13 C ATOM 691 CG GLU A 45 8.789 -4.319 -15.737 1.00 51.34 C ATOM 692 CD GLU A 45 9.210 -3.559 -16.980 1.00 43.02 C ATOM 693 OE1 GLU A 45 8.338 -2.929 -17.614 1.00 73.53 O ATOM 694 OE2 GLU A 45 10.412 -3.594 -17.319 1.00 14.11 O ATOM 0 H GLU A 45 7.076 -7.952 -16.161 1.00 23.32 H new ATOM 0 HA GLU A 45 9.556 -6.855 -15.084 1.00 42.20 H new ATOM 0 HB2 GLU A 45 8.324 -5.911 -17.087 1.00 32.13 H new ATOM 0 HB3 GLU A 45 7.010 -5.473 -16.014 1.00 32.13 H new ATOM 0 HG2 GLU A 45 8.125 -3.693 -15.141 1.00 51.34 H new ATOM 0 HG3 GLU A 45 9.668 -4.524 -15.126 1.00 51.34 H new ATOM 701 N HIS A 46 8.662 -5.640 -12.992 1.00 4.45 N ATOM 702 CA HIS A 46 8.274 -5.285 -11.631 1.00 30.30 C ATOM 703 C HIS A 46 7.400 -4.034 -11.624 1.00 24.53 C ATOM 704 O HIS A 46 7.648 -3.088 -12.371 1.00 12.33 O ATOM 705 CB HIS A 46 9.515 -5.060 -10.766 1.00 74.21 C ATOM 706 CG HIS A 46 10.712 -5.836 -11.222 1.00 75.42 C ATOM 707 ND1 HIS A 46 10.973 -7.127 -10.812 1.00 55.14 N ATOM 708 CD2 HIS A 46 11.720 -5.498 -12.059 1.00 51.23 C ATOM 709 CE1 HIS A 46 12.091 -7.548 -11.376 1.00 55.14 C ATOM 710 NE2 HIS A 46 12.564 -6.578 -12.138 1.00 73.33 N ATOM 0 H HIS A 46 9.510 -5.180 -13.322 1.00 4.45 H new ATOM 0 HA HIS A 46 7.697 -6.112 -11.217 1.00 30.30 H new ATOM 0 HB2 HIS A 46 9.760 -3.998 -10.765 1.00 74.21 H new ATOM 0 HB3 HIS A 46 9.285 -5.335 -9.737 1.00 74.21 H new ATOM 0 HD2 HIS A 46 11.839 -4.554 -12.570 1.00 51.23 H new ATOM 0 HE1 HIS A 46 12.542 -8.520 -11.238 1.00 55.14 H new ATOM 0 HE2 HIS A 46 13.418 -6.624 -12.695 1.00 73.33 H new ATOM 718 N VAL A 47 6.377 -4.038 -10.775 1.00 41.02 N ATOM 719 CA VAL A 47 5.467 -2.904 -10.671 1.00 10.25 C ATOM 720 C VAL A 47 4.802 -2.857 -9.299 1.00 63.33 C ATOM 721 O VAL A 47 4.468 -3.893 -8.726 1.00 21.42 O ATOM 722 CB VAL A 47 4.376 -2.958 -11.756 1.00 52.42 C ATOM 723 CG1 VAL A 47 5.001 -2.939 -13.143 1.00 33.31 C ATOM 724 CG2 VAL A 47 3.502 -4.189 -11.572 1.00 62.34 C ATOM 0 H VAL A 47 6.158 -4.814 -10.150 1.00 41.02 H new ATOM 0 HA VAL A 47 6.066 -2.004 -10.813 1.00 10.25 H new ATOM 0 HB VAL A 47 3.745 -2.075 -11.656 1.00 52.42 H new ATOM 0 HG11 VAL A 47 4.215 -2.978 -13.897 1.00 33.31 H new ATOM 0 HG12 VAL A 47 5.580 -2.024 -13.269 1.00 33.31 H new ATOM 0 HG13 VAL A 47 5.657 -3.802 -13.258 1.00 33.31 H new ATOM 0 HG21 VAL A 47 2.736 -4.211 -12.348 1.00 62.34 H new ATOM 0 HG22 VAL A 47 4.117 -5.086 -11.644 1.00 62.34 H new ATOM 0 HG23 VAL A 47 3.025 -4.154 -10.592 1.00 62.34 H new ATOM 734 N GLU A 48 4.613 -1.648 -8.780 1.00 24.32 N ATOM 735 CA GLU A 48 3.988 -1.467 -7.475 1.00 23.51 C ATOM 736 C GLU A 48 2.470 -1.384 -7.606 1.00 22.34 C ATOM 737 O GLU A 48 1.941 -1.152 -8.693 1.00 23.11 O ATOM 738 CB GLU A 48 4.523 -0.203 -6.799 1.00 41.04 C ATOM 739 CG GLU A 48 4.136 -0.085 -5.335 1.00 31.12 C ATOM 740 CD GLU A 48 4.904 1.006 -4.614 1.00 63.32 C ATOM 741 OE1 GLU A 48 5.753 1.658 -5.257 1.00 52.20 O ATOM 742 OE2 GLU A 48 4.656 1.207 -3.407 1.00 22.42 O ATOM 0 H GLU A 48 4.883 -0.780 -9.243 1.00 24.32 H new ATOM 0 HA GLU A 48 4.235 -2.332 -6.859 1.00 23.51 H new ATOM 0 HB2 GLU A 48 5.610 -0.190 -6.881 1.00 41.04 H new ATOM 0 HB3 GLU A 48 4.152 0.670 -7.336 1.00 41.04 H new ATOM 0 HG2 GLU A 48 3.068 0.118 -5.261 1.00 31.12 H new ATOM 0 HG3 GLU A 48 4.314 -1.039 -4.838 1.00 31.12 H new ATOM 749 N PHE A 49 1.775 -1.576 -6.490 1.00 32.15 N ATOM 750 CA PHE A 49 0.318 -1.525 -6.478 1.00 55.34 C ATOM 751 C PHE A 49 -0.212 -1.421 -5.051 1.00 52.52 C ATOM 752 O PHE A 49 0.171 -2.199 -4.178 1.00 55.14 O ATOM 753 CB PHE A 49 -0.263 -2.765 -7.161 1.00 30.14 C ATOM 754 CG PHE A 49 -0.001 -4.040 -6.410 1.00 53.32 C ATOM 755 CD1 PHE A 49 1.156 -4.767 -6.636 1.00 42.10 C ATOM 756 CD2 PHE A 49 -0.913 -4.511 -5.479 1.00 52.24 C ATOM 757 CE1 PHE A 49 1.400 -5.940 -5.947 1.00 23.01 C ATOM 758 CE2 PHE A 49 -0.674 -5.683 -4.787 1.00 54.21 C ATOM 759 CZ PHE A 49 0.483 -6.399 -5.022 1.00 1.00 C ATOM 0 H PHE A 49 2.198 -1.768 -5.582 1.00 32.15 H new ATOM 0 HA PHE A 49 0.007 -0.637 -7.027 1.00 55.34 H new ATOM 0 HB2 PHE A 49 -1.339 -2.636 -7.277 1.00 30.14 H new ATOM 0 HB3 PHE A 49 0.158 -2.849 -8.163 1.00 30.14 H new ATOM 0 HD1 PHE A 49 1.876 -4.413 -7.359 1.00 42.10 H new ATOM 0 HD2 PHE A 49 -1.820 -3.956 -5.292 1.00 52.24 H new ATOM 0 HE1 PHE A 49 2.307 -6.497 -6.132 1.00 23.01 H new ATOM 0 HE2 PHE A 49 -1.392 -6.039 -4.063 1.00 54.21 H new ATOM 0 HZ PHE A 49 0.670 -7.316 -4.483 1.00 1.00 H new ATOM 769 N GLU A 50 -1.094 -0.453 -4.823 1.00 13.42 N ATOM 770 CA GLU A 50 -1.675 -0.246 -3.501 1.00 53.35 C ATOM 771 C GLU A 50 -2.975 -1.030 -3.350 1.00 34.32 C ATOM 772 O GLU A 50 -4.026 -0.613 -3.838 1.00 62.41 O ATOM 773 CB GLU A 50 -1.934 1.243 -3.261 1.00 53.12 C ATOM 774 CG GLU A 50 -1.116 1.827 -2.122 1.00 42.22 C ATOM 775 CD GLU A 50 -1.641 3.171 -1.655 1.00 74.23 C ATOM 776 OE1 GLU A 50 -2.841 3.446 -1.868 1.00 22.34 O ATOM 777 OE2 GLU A 50 -0.852 3.947 -1.077 1.00 14.30 O ATOM 0 H GLU A 50 -1.422 0.200 -5.535 1.00 13.42 H new ATOM 0 HA GLU A 50 -0.964 -0.608 -2.759 1.00 53.35 H new ATOM 0 HB2 GLU A 50 -1.713 1.794 -4.175 1.00 53.12 H new ATOM 0 HB3 GLU A 50 -2.993 1.389 -3.049 1.00 53.12 H new ATOM 0 HG2 GLU A 50 -1.117 1.130 -1.284 1.00 42.22 H new ATOM 0 HG3 GLU A 50 -0.080 1.938 -2.443 1.00 42.22 H new ATOM 784 N VAL A 51 -2.896 -2.170 -2.670 1.00 12.43 N ATOM 785 CA VAL A 51 -4.065 -3.013 -2.453 1.00 34.24 C ATOM 786 C VAL A 51 -5.242 -2.197 -1.930 1.00 33.32 C ATOM 787 O VAL A 51 -5.296 -1.854 -0.749 1.00 70.13 O ATOM 788 CB VAL A 51 -3.761 -4.150 -1.459 1.00 2.44 C ATOM 789 CG1 VAL A 51 -2.879 -5.205 -2.108 1.00 23.12 C ATOM 790 CG2 VAL A 51 -3.107 -3.596 -0.201 1.00 60.34 C ATOM 0 H VAL A 51 -2.034 -2.530 -2.260 1.00 12.43 H new ATOM 0 HA VAL A 51 -4.327 -3.445 -3.419 1.00 34.24 H new ATOM 0 HB VAL A 51 -4.701 -4.622 -1.175 1.00 2.44 H new ATOM 0 HG11 VAL A 51 -2.675 -6.000 -1.391 1.00 23.12 H new ATOM 0 HG12 VAL A 51 -3.389 -5.622 -2.976 1.00 23.12 H new ATOM 0 HG13 VAL A 51 -1.940 -4.750 -2.423 1.00 23.12 H new ATOM 0 HG21 VAL A 51 -2.899 -4.412 0.491 1.00 60.34 H new ATOM 0 HG22 VAL A 51 -2.174 -3.098 -0.465 1.00 60.34 H new ATOM 0 HG23 VAL A 51 -3.779 -2.881 0.274 1.00 60.34 H new ATOM 800 N GLU A 52 -6.184 -1.891 -2.817 1.00 44.31 N ATOM 801 CA GLU A 52 -7.360 -1.114 -2.444 1.00 72.31 C ATOM 802 C GLU A 52 -8.335 -1.960 -1.630 1.00 62.51 C ATOM 803 O GLU A 52 -8.498 -3.159 -1.860 1.00 51.25 O ATOM 804 CB GLU A 52 -8.058 -0.573 -3.693 1.00 52.44 C ATOM 805 CG GLU A 52 -8.702 0.789 -3.489 1.00 64.42 C ATOM 806 CD GLU A 52 -8.907 1.538 -4.791 1.00 50.03 C ATOM 807 OE1 GLU A 52 -8.259 1.172 -5.794 1.00 71.13 O ATOM 808 OE2 GLU A 52 -9.715 2.490 -4.808 1.00 3.14 O ATOM 0 H GLU A 52 -6.156 -2.169 -3.798 1.00 44.31 H new ATOM 0 HA GLU A 52 -7.031 -0.277 -1.829 1.00 72.31 H new ATOM 0 HB2 GLU A 52 -7.332 -0.505 -4.504 1.00 52.44 H new ATOM 0 HB3 GLU A 52 -8.822 -1.283 -4.008 1.00 52.44 H new ATOM 0 HG2 GLU A 52 -9.664 0.661 -2.992 1.00 64.42 H new ATOM 0 HG3 GLU A 52 -8.077 1.386 -2.825 1.00 64.42 H new ATOM 815 N PRO A 53 -8.998 -1.323 -0.654 1.00 32.42 N ATOM 816 CA PRO A 53 -9.968 -1.997 0.215 1.00 61.43 C ATOM 817 C PRO A 53 -11.240 -2.387 -0.530 1.00 13.11 C ATOM 818 O PRO A 53 -11.311 -3.451 -1.143 1.00 72.02 O ATOM 819 CB PRO A 53 -10.275 -0.947 1.285 1.00 30.44 C ATOM 820 CG PRO A 53 -9.990 0.359 0.628 1.00 61.41 C ATOM 821 CD PRO A 53 -8.853 0.104 -0.323 1.00 11.20 C ATOM 0 HA PRO A 53 -9.576 -2.932 0.616 1.00 61.43 H new ATOM 0 HB2 PRO A 53 -11.313 -1.007 1.612 1.00 30.44 H new ATOM 0 HB3 PRO A 53 -9.653 -1.089 2.169 1.00 30.44 H new ATOM 0 HG2 PRO A 53 -10.867 0.729 0.097 1.00 61.41 H new ATOM 0 HG3 PRO A 53 -9.721 1.116 1.365 1.00 61.41 H new ATOM 0 HD2 PRO A 53 -8.924 0.732 -1.211 1.00 11.20 H new ATOM 0 HD3 PRO A 53 -7.888 0.313 0.139 1.00 11.20 H new ATOM 829 N GLY A 54 -12.244 -1.517 -0.472 1.00 74.12 N ATOM 830 CA GLY A 54 -13.501 -1.789 -1.146 1.00 2.42 C ATOM 831 C GLY A 54 -13.517 -1.274 -2.571 1.00 54.24 C ATOM 832 O GLY A 54 -14.381 -0.478 -2.941 1.00 72.52 O ATOM 0 H GLY A 54 -12.210 -0.629 0.029 1.00 74.12 H new ATOM 0 HA2 GLY A 54 -13.683 -2.864 -1.149 1.00 2.42 H new ATOM 0 HA3 GLY A 54 -14.316 -1.329 -0.587 1.00 2.42 H new ATOM 836 N ARG A 55 -12.559 -1.727 -3.374 1.00 14.34 N ATOM 837 CA ARG A 55 -12.466 -1.304 -4.766 1.00 23.32 C ATOM 838 C ARG A 55 -12.199 -2.497 -5.679 1.00 60.31 C ATOM 839 O ARG A 55 -12.754 -2.591 -6.773 1.00 60.00 O ATOM 840 CB ARG A 55 -11.357 -0.264 -4.932 1.00 1.52 C ATOM 841 CG ARG A 55 -11.567 0.666 -6.116 1.00 4.33 C ATOM 842 CD ARG A 55 -12.389 1.885 -5.728 1.00 14.00 C ATOM 843 NE ARG A 55 -11.981 3.078 -6.465 1.00 2.15 N ATOM 844 CZ ARG A 55 -12.394 4.304 -6.164 1.00 41.44 C ATOM 845 NH1 ARG A 55 -13.222 4.498 -5.148 1.00 15.24 N ATOM 846 NH2 ARG A 55 -11.978 5.340 -6.882 1.00 3.22 N ATOM 0 H ARG A 55 -11.837 -2.387 -3.084 1.00 14.34 H new ATOM 0 HA ARG A 55 -13.419 -0.857 -5.049 1.00 23.32 H new ATOM 0 HB2 ARG A 55 -11.289 0.331 -4.021 1.00 1.52 H new ATOM 0 HB3 ARG A 55 -10.403 -0.778 -5.049 1.00 1.52 H new ATOM 0 HG2 ARG A 55 -10.600 0.986 -6.504 1.00 4.33 H new ATOM 0 HG3 ARG A 55 -12.070 0.127 -6.919 1.00 4.33 H new ATOM 0 HD2 ARG A 55 -13.444 1.686 -5.917 1.00 14.00 H new ATOM 0 HD3 ARG A 55 -12.285 2.067 -4.658 1.00 14.00 H new ATOM 0 HE ARG A 55 -11.344 2.964 -7.254 1.00 2.15 H new ATOM 0 HH11 ARG A 55 -13.544 3.704 -4.594 1.00 15.24 H new ATOM 0 HH12 ARG A 55 -13.537 5.441 -4.920 1.00 15.24 H new ATOM 0 HH21 ARG A 55 -11.341 5.195 -7.665 1.00 3.22 H new ATOM 0 HH22 ARG A 55 -12.295 6.281 -6.651 1.00 3.22 H new ATOM 860 N GLY A 56 -11.344 -3.407 -5.221 1.00 74.43 N ATOM 861 CA GLY A 56 -11.018 -4.582 -6.009 1.00 54.43 C ATOM 862 C GLY A 56 -12.092 -5.649 -5.931 1.00 52.44 C ATOM 863 O GLY A 56 -12.672 -5.879 -4.871 1.00 72.22 O ATOM 0 H GLY A 56 -10.871 -3.352 -4.319 1.00 74.43 H new ATOM 0 HA2 GLY A 56 -10.875 -4.290 -7.049 1.00 54.43 H new ATOM 0 HA3 GLY A 56 -10.072 -4.997 -5.662 1.00 54.43 H new ATOM 867 N GLY A 57 -12.359 -6.301 -7.059 1.00 14.12 N ATOM 868 CA GLY A 57 -13.372 -7.340 -7.092 1.00 62.15 C ATOM 869 C GLY A 57 -13.241 -8.314 -5.939 1.00 20.53 C ATOM 870 O GLY A 57 -14.209 -8.578 -5.225 1.00 53.42 O ATOM 0 H GLY A 57 -11.892 -6.128 -7.949 1.00 14.12 H new ATOM 0 HA2 GLY A 57 -14.360 -6.881 -7.065 1.00 62.15 H new ATOM 0 HA3 GLY A 57 -13.299 -7.884 -8.034 1.00 62.15 H new ATOM 874 N LYS A 58 -12.041 -8.854 -5.755 1.00 4.42 N ATOM 875 CA LYS A 58 -11.785 -9.805 -4.680 1.00 72.21 C ATOM 876 C LYS A 58 -11.388 -9.083 -3.397 1.00 11.24 C ATOM 877 O LYS A 58 -11.186 -9.709 -2.357 1.00 63.44 O ATOM 878 CB LYS A 58 -10.682 -10.784 -5.089 1.00 51.01 C ATOM 879 CG LYS A 58 -10.910 -11.424 -6.448 1.00 1.14 C ATOM 880 CD LYS A 58 -12.210 -12.209 -6.483 1.00 73.12 C ATOM 881 CE LYS A 58 -12.202 -13.347 -5.474 1.00 13.34 C ATOM 882 NZ LYS A 58 -11.090 -14.304 -5.726 1.00 32.31 N ATOM 0 H LYS A 58 -11.229 -8.649 -6.338 1.00 4.42 H new ATOM 0 HA LYS A 58 -12.704 -10.360 -4.494 1.00 72.21 H new ATOM 0 HB2 LYS A 58 -9.727 -10.259 -5.100 1.00 51.01 H new ATOM 0 HB3 LYS A 58 -10.606 -11.568 -4.336 1.00 51.01 H new ATOM 0 HG2 LYS A 58 -10.930 -10.651 -7.216 1.00 1.14 H new ATOM 0 HG3 LYS A 58 -10.077 -12.087 -6.684 1.00 1.14 H new ATOM 0 HD2 LYS A 58 -13.045 -11.541 -6.273 1.00 73.12 H new ATOM 0 HD3 LYS A 58 -12.367 -12.610 -7.484 1.00 73.12 H new ATOM 0 HE2 LYS A 58 -12.109 -12.939 -4.467 1.00 13.34 H new ATOM 0 HE3 LYS A 58 -13.154 -13.877 -5.517 1.00 13.34 H new ATOM 0 HZ1 LYS A 58 -11.234 -15.162 -5.156 1.00 32.31 H new ATOM 0 HZ2 LYS A 58 -11.072 -14.557 -6.735 1.00 32.31 H new ATOM 0 HZ3 LYS A 58 -10.186 -13.862 -5.464 1.00 32.31 H new ATOM 896 N GLY A 59 -11.280 -7.760 -3.476 1.00 42.05 N ATOM 897 CA GLY A 59 -10.909 -6.975 -2.314 1.00 2.41 C ATOM 898 C GLY A 59 -9.716 -6.077 -2.577 1.00 61.11 C ATOM 899 O GLY A 59 -9.856 -4.880 -2.830 1.00 32.33 O ATOM 0 H GLY A 59 -11.443 -7.218 -4.325 1.00 42.05 H new ATOM 0 HA2 GLY A 59 -11.758 -6.365 -2.006 1.00 2.41 H new ATOM 0 HA3 GLY A 59 -10.680 -7.645 -1.485 1.00 2.41 H new ATOM 903 N PRO A 60 -8.509 -6.658 -2.517 1.00 64.34 N ATOM 904 CA PRO A 60 -7.263 -5.921 -2.747 1.00 42.24 C ATOM 905 C PRO A 60 -7.098 -5.502 -4.204 1.00 45.13 C ATOM 906 O PRO A 60 -7.011 -6.346 -5.095 1.00 63.15 O ATOM 907 CB PRO A 60 -6.178 -6.926 -2.354 1.00 24.13 C ATOM 908 CG PRO A 60 -6.810 -8.261 -2.547 1.00 61.10 C ATOM 909 CD PRO A 60 -8.267 -8.080 -2.221 1.00 63.44 C ATOM 0 HA PRO A 60 -7.229 -4.992 -2.178 1.00 42.24 H new ATOM 0 HB2 PRO A 60 -5.291 -6.814 -2.977 1.00 24.13 H new ATOM 0 HB3 PRO A 60 -5.862 -6.783 -1.321 1.00 24.13 H new ATOM 0 HG2 PRO A 60 -6.680 -8.610 -3.571 1.00 61.10 H new ATOM 0 HG3 PRO A 60 -6.354 -9.007 -1.896 1.00 61.10 H new ATOM 0 HD2 PRO A 60 -8.898 -8.730 -2.827 1.00 63.44 H new ATOM 0 HD3 PRO A 60 -8.477 -8.315 -1.178 1.00 63.44 H new ATOM 917 N GLN A 61 -7.055 -4.194 -4.438 1.00 25.30 N ATOM 918 CA GLN A 61 -6.900 -3.665 -5.788 1.00 2.33 C ATOM 919 C GLN A 61 -5.591 -2.894 -5.923 1.00 63.03 C ATOM 920 O GLN A 61 -4.806 -2.813 -4.979 1.00 20.42 O ATOM 921 CB GLN A 61 -8.079 -2.756 -6.140 1.00 70.32 C ATOM 922 CG GLN A 61 -8.616 -2.974 -7.545 1.00 72.54 C ATOM 923 CD GLN A 61 -9.682 -1.966 -7.926 1.00 13.03 C ATOM 924 OE1 GLN A 61 -9.576 -0.782 -7.604 1.00 70.14 O ATOM 925 NE2 GLN A 61 -10.718 -2.431 -8.614 1.00 53.54 N ATOM 0 H GLN A 61 -7.125 -3.482 -3.711 1.00 25.30 H new ATOM 0 HA GLN A 61 -6.879 -4.506 -6.481 1.00 2.33 H new ATOM 0 HB2 GLN A 61 -8.883 -2.923 -5.423 1.00 70.32 H new ATOM 0 HB3 GLN A 61 -7.769 -1.716 -6.035 1.00 70.32 H new ATOM 0 HG2 GLN A 61 -7.793 -2.914 -8.258 1.00 72.54 H new ATOM 0 HG3 GLN A 61 -9.029 -3.980 -7.620 1.00 72.54 H new ATOM 0 HE21 GLN A 61 -10.765 -3.420 -8.859 1.00 53.54 H new ATOM 0 HE22 GLN A 61 -11.467 -1.799 -8.897 1.00 53.54 H new ATOM 934 N ALA A 62 -5.362 -2.329 -7.104 1.00 62.45 N ATOM 935 CA ALA A 62 -4.149 -1.564 -7.363 1.00 3.10 C ATOM 936 C ALA A 62 -4.408 -0.066 -7.240 1.00 20.20 C ATOM 937 O ALA A 62 -4.076 0.708 -8.138 1.00 71.11 O ATOM 938 CB ALA A 62 -3.600 -1.895 -8.743 1.00 3.11 C ATOM 0 H ALA A 62 -6.001 -2.387 -7.897 1.00 62.45 H new ATOM 0 HA ALA A 62 -3.408 -1.841 -6.613 1.00 3.10 H new ATOM 0 HB1 ALA A 62 -2.694 -1.316 -8.923 1.00 3.11 H new ATOM 0 HB2 ALA A 62 -3.368 -2.959 -8.797 1.00 3.11 H new ATOM 0 HB3 ALA A 62 -4.345 -1.648 -9.500 1.00 3.11 H new ATOM 944 N LYS A 63 -5.004 0.337 -6.123 1.00 23.53 N ATOM 945 CA LYS A 63 -5.308 1.742 -5.881 1.00 24.11 C ATOM 946 C LYS A 63 -4.185 2.638 -6.394 1.00 24.41 C ATOM 947 O LYS A 63 -4.435 3.674 -7.010 1.00 21.12 O ATOM 948 CB LYS A 63 -5.528 1.988 -4.387 1.00 20.45 C ATOM 949 CG LYS A 63 -5.586 3.459 -4.014 1.00 60.11 C ATOM 950 CD LYS A 63 -7.017 3.968 -3.974 1.00 51.00 C ATOM 951 CE LYS A 63 -7.539 4.275 -5.369 1.00 43.14 C ATOM 952 NZ LYS A 63 -6.714 5.309 -6.055 1.00 33.52 N ATOM 0 H LYS A 63 -5.286 -0.291 -5.370 1.00 23.53 H new ATOM 0 HA LYS A 63 -6.222 1.988 -6.422 1.00 24.11 H new ATOM 0 HB2 LYS A 63 -6.457 1.508 -4.081 1.00 20.45 H new ATOM 0 HB3 LYS A 63 -4.724 1.511 -3.827 1.00 20.45 H new ATOM 0 HG2 LYS A 63 -5.119 3.607 -3.040 1.00 60.11 H new ATOM 0 HG3 LYS A 63 -5.012 4.041 -4.735 1.00 60.11 H new ATOM 0 HD2 LYS A 63 -7.656 3.222 -3.501 1.00 51.00 H new ATOM 0 HD3 LYS A 63 -7.067 4.867 -3.360 1.00 51.00 H new ATOM 0 HE2 LYS A 63 -7.545 3.362 -5.964 1.00 43.14 H new ATOM 0 HE3 LYS A 63 -8.571 4.619 -5.303 1.00 43.14 H new ATOM 0 HZ1 LYS A 63 -7.280 5.770 -6.796 1.00 33.52 H new ATOM 0 HZ2 LYS A 63 -6.404 6.021 -5.363 1.00 33.52 H new ATOM 0 HZ3 LYS A 63 -5.881 4.859 -6.486 1.00 33.52 H new ATOM 966 N LYS A 64 -2.946 2.231 -6.138 1.00 21.04 N ATOM 967 CA LYS A 64 -1.783 2.994 -6.575 1.00 54.55 C ATOM 968 C LYS A 64 -0.735 2.079 -7.201 1.00 14.34 C ATOM 969 O LYS A 64 0.064 1.462 -6.496 1.00 53.04 O ATOM 970 CB LYS A 64 -1.173 3.755 -5.396 1.00 13.10 C ATOM 971 CG LYS A 64 -0.869 5.211 -5.703 1.00 45.03 C ATOM 972 CD LYS A 64 -1.525 6.142 -4.698 1.00 54.44 C ATOM 973 CE LYS A 64 -3.042 6.042 -4.754 1.00 51.21 C ATOM 974 NZ LYS A 64 -3.665 7.310 -5.225 1.00 43.31 N ATOM 0 H LYS A 64 -2.722 1.376 -5.629 1.00 21.04 H new ATOM 0 HA LYS A 64 -2.112 3.709 -7.329 1.00 54.55 H new ATOM 0 HB2 LYS A 64 -1.858 3.706 -4.550 1.00 13.10 H new ATOM 0 HB3 LYS A 64 -0.253 3.257 -5.090 1.00 13.10 H new ATOM 0 HG2 LYS A 64 0.210 5.368 -5.695 1.00 45.03 H new ATOM 0 HG3 LYS A 64 -1.219 5.453 -6.707 1.00 45.03 H new ATOM 0 HD2 LYS A 64 -1.180 5.897 -3.694 1.00 54.44 H new ATOM 0 HD3 LYS A 64 -1.219 7.169 -4.898 1.00 54.44 H new ATOM 0 HE2 LYS A 64 -3.328 5.228 -5.420 1.00 51.21 H new ATOM 0 HE3 LYS A 64 -3.426 5.794 -3.765 1.00 51.21 H new ATOM 0 HZ1 LYS A 64 -4.672 7.319 -4.967 1.00 43.31 H new ATOM 0 HZ2 LYS A 64 -3.187 8.119 -4.779 1.00 43.31 H new ATOM 0 HZ3 LYS A 64 -3.572 7.380 -6.258 1.00 43.31 H new ATOM 988 N VAL A 65 -0.743 1.997 -8.527 1.00 54.54 N ATOM 989 CA VAL A 65 0.208 1.160 -9.247 1.00 62.25 C ATOM 990 C VAL A 65 1.370 1.987 -9.786 1.00 24.41 C ATOM 991 O VAL A 65 1.187 3.123 -10.222 1.00 43.04 O ATOM 992 CB VAL A 65 -0.468 0.421 -10.418 1.00 3.21 C ATOM 993 CG1 VAL A 65 0.277 0.685 -11.718 1.00 10.44 C ATOM 994 CG2 VAL A 65 -0.545 -1.071 -10.132 1.00 51.00 C ATOM 0 H VAL A 65 -1.398 2.501 -9.125 1.00 54.54 H new ATOM 0 HA VAL A 65 0.587 0.427 -8.535 1.00 62.25 H new ATOM 0 HB VAL A 65 -1.484 0.800 -10.526 1.00 3.21 H new ATOM 0 HG11 VAL A 65 -0.215 0.155 -12.533 1.00 10.44 H new ATOM 0 HG12 VAL A 65 0.276 1.755 -11.927 1.00 10.44 H new ATOM 0 HG13 VAL A 65 1.305 0.335 -11.626 1.00 10.44 H new ATOM 0 HG21 VAL A 65 -1.025 -1.578 -10.969 1.00 51.00 H new ATOM 0 HG22 VAL A 65 0.461 -1.468 -9.996 1.00 51.00 H new ATOM 0 HG23 VAL A 65 -1.126 -1.238 -9.225 1.00 51.00 H new ATOM 1004 N ARG A 66 2.566 1.408 -9.752 1.00 44.14 N ATOM 1005 CA ARG A 66 3.760 2.092 -10.237 1.00 34.34 C ATOM 1006 C ARG A 66 4.579 1.178 -11.143 1.00 43.33 C ATOM 1007 O ARG A 66 4.521 -0.046 -11.024 1.00 53.35 O ATOM 1008 CB ARG A 66 4.616 2.562 -9.060 1.00 5.40 C ATOM 1009 CG ARG A 66 3.813 3.194 -7.935 1.00 55.35 C ATOM 1010 CD ARG A 66 4.718 3.841 -6.899 1.00 12.50 C ATOM 1011 NE ARG A 66 4.968 5.250 -7.194 1.00 31.22 N ATOM 1012 CZ ARG A 66 5.893 5.977 -6.577 1.00 32.33 C ATOM 1013 NH1 ARG A 66 6.651 5.431 -5.636 1.00 63.12 N ATOM 1014 NH2 ARG A 66 6.061 7.253 -6.901 1.00 33.54 N ATOM 0 H ARG A 66 2.734 0.468 -9.394 1.00 44.14 H new ATOM 0 HA ARG A 66 3.443 2.959 -10.816 1.00 34.34 H new ATOM 0 HB2 ARG A 66 5.172 1.712 -8.665 1.00 5.40 H new ATOM 0 HB3 ARG A 66 5.349 3.283 -9.421 1.00 5.40 H new ATOM 0 HG2 ARG A 66 3.136 3.943 -8.346 1.00 55.35 H new ATOM 0 HG3 ARG A 66 3.195 2.434 -7.456 1.00 55.35 H new ATOM 0 HD2 ARG A 66 4.262 3.752 -5.913 1.00 12.50 H new ATOM 0 HD3 ARG A 66 5.666 3.305 -6.861 1.00 12.50 H new ATOM 0 HE ARG A 66 4.401 5.700 -7.913 1.00 31.22 H new ATOM 0 HH11 ARG A 66 6.525 4.451 -5.384 1.00 63.12 H new ATOM 0 HH12 ARG A 66 7.361 5.991 -5.164 1.00 63.12 H new ATOM 0 HH21 ARG A 66 5.480 7.676 -7.624 1.00 33.54 H new ATOM 0 HH22 ARG A 66 6.771 7.810 -6.427 1.00 33.54 H new ATOM 1028 N ARG A 67 5.342 1.782 -12.049 1.00 21.11 N ATOM 1029 CA ARG A 67 6.172 1.023 -12.977 1.00 0.12 C ATOM 1030 C ARG A 67 7.576 0.824 -12.412 1.00 74.44 C ATOM 1031 O ARG A 67 8.207 1.771 -11.944 1.00 2.21 O ATOM 1032 CB ARG A 67 6.250 1.739 -14.327 1.00 25.24 C ATOM 1033 CG ARG A 67 6.878 0.898 -15.426 1.00 73.23 C ATOM 1034 CD ARG A 67 8.386 1.083 -15.478 1.00 2.32 C ATOM 1035 NE ARG A 67 8.935 0.744 -16.788 1.00 20.01 N ATOM 1036 CZ ARG A 67 8.766 1.493 -17.872 1.00 20.11 C ATOM 1037 NH1 ARG A 67 8.068 2.618 -17.802 1.00 74.23 N ATOM 1038 NH2 ARG A 67 9.297 1.117 -19.029 1.00 14.43 N ATOM 0 H ARG A 67 5.402 2.794 -12.160 1.00 21.11 H new ATOM 0 HA ARG A 67 5.714 0.044 -13.119 1.00 0.12 H new ATOM 0 HB2 ARG A 67 5.245 2.030 -14.633 1.00 25.24 H new ATOM 0 HB3 ARG A 67 6.826 2.657 -14.209 1.00 25.24 H new ATOM 0 HG2 ARG A 67 6.645 -0.154 -15.259 1.00 73.23 H new ATOM 0 HG3 ARG A 67 6.444 1.171 -16.388 1.00 73.23 H new ATOM 0 HD2 ARG A 67 8.633 2.117 -15.238 1.00 2.32 H new ATOM 0 HD3 ARG A 67 8.854 0.459 -14.717 1.00 2.32 H new ATOM 0 HE ARG A 67 9.478 -0.115 -16.875 1.00 20.01 H new ATOM 0 HH11 ARG A 67 7.659 2.910 -16.914 1.00 74.23 H new ATOM 0 HH12 ARG A 67 7.940 3.191 -18.636 1.00 74.23 H new ATOM 0 HH21 ARG A 67 9.835 0.252 -19.086 1.00 14.43 H new ATOM 0 HH22 ARG A 67 9.167 1.693 -19.861 1.00 14.43 H new ATOM 1052 N ILE A 68 8.057 -0.414 -12.460 1.00 75.14 N ATOM 1053 CA ILE A 68 9.385 -0.737 -11.955 1.00 32.14 C ATOM 1054 C ILE A 68 10.110 -1.700 -12.889 1.00 53.20 C ATOM 1055 O ILE A 68 10.040 -2.917 -12.719 1.00 65.22 O ATOM 1056 CB ILE A 68 9.315 -1.360 -10.548 1.00 5.44 C ATOM 1057 CG1 ILE A 68 8.631 -0.398 -9.574 1.00 4.12 C ATOM 1058 CG2 ILE A 68 10.711 -1.716 -10.057 1.00 12.34 C ATOM 1059 CD1 ILE A 68 9.601 0.388 -8.720 1.00 2.25 C ATOM 0 H ILE A 68 7.546 -1.209 -12.844 1.00 75.14 H new ATOM 0 HA ILE A 68 9.939 0.200 -11.902 1.00 32.14 H new ATOM 0 HB ILE A 68 8.725 -2.275 -10.600 1.00 5.44 H new ATOM 0 HG12 ILE A 68 8.010 0.298 -10.139 1.00 4.12 H new ATOM 0 HG13 ILE A 68 7.964 -0.965 -8.924 1.00 4.12 H new ATOM 0 HG21 ILE A 68 10.646 -2.155 -9.062 1.00 12.34 H new ATOM 0 HG22 ILE A 68 11.165 -2.433 -10.741 1.00 12.34 H new ATOM 0 HG23 ILE A 68 11.323 -0.815 -10.017 1.00 12.34 H new ATOM 0 HD11 ILE A 68 9.046 1.049 -8.054 1.00 2.25 H new ATOM 0 HD12 ILE A 68 10.205 -0.300 -8.128 1.00 2.25 H new ATOM 0 HD13 ILE A 68 10.252 0.982 -9.362 1.00 2.25 H new