USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 454 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 40 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.091) USER MOD Set 1.2: A 43 ASN : amide:sc=-0.00868 K(o=-1.8,f=-0.1) USER MOD Set 2.1: A 26 GLN : amide:sc= -13.6! C(o=-21!,f=-8.8!) USER MOD Set 2.2: A 55 GLN : amide:sc= -6.97! K(o=-21!,f=-8.8) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.48 X(o=-4.6,f=-4.1) USER MOD Set 3.2: A 52 ASN : amide:sc= -2.08 K(o=-4.6,f=-11!) USER MOD Set 4.1: A 1 VAL N :NH3+ -166:sc= 0.834 (180deg=-0.731) USER MOD Set 4.2: A 3 ASN : amide:sc= 0.893 K(o=1.7,f=-9.4!) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= -0.058 (180deg=-0.406) USER MOD Single : A 6 ASN : amide:sc= -0.382 K(o=-0.38,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.127) USER MOD Single : A 13 THR OG1 : rot 60:sc= 0.617 USER MOD Single : A 18 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.3) USER MOD Single : A 23 ASN : amide:sc= -3.45! K(o=-3.5!,f=-0.016) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 0.17 (180deg=-0.19) USER MOD Single : A 33 SER OG : rot 69:sc= 0.946 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -164:sc= 0.779 USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0505) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.18) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= 1.22 (180deg=0.356) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 18.257 -9.200 8.273 1.00 0.00 N ATOM 2 CA VAL A 1 18.677 -10.584 8.635 1.00 0.00 C ATOM 3 C VAL A 1 17.494 -11.308 9.273 1.00 0.00 C ATOM 4 O VAL A 1 17.068 -12.361 8.795 1.00 0.00 O ATOM 5 CB VAL A 1 19.861 -10.522 9.617 1.00 0.00 C ATOM 6 CG1 VAL A 1 20.350 -11.940 9.942 1.00 0.00 C ATOM 7 CG2 VAL A 1 21.012 -9.720 8.992 1.00 0.00 C ATOM 0 H1 VAL A 1 18.961 -8.779 7.634 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.333 -9.231 7.797 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.184 -8.623 9.135 1.00 0.00 H new ATOM 0 HA VAL A 1 18.992 -11.126 7.743 1.00 0.00 H new ATOM 0 HB VAL A 1 19.532 -10.035 10.535 1.00 0.00 H new ATOM 0 HG11 VAL A 1 21.188 -11.886 10.637 1.00 0.00 H new ATOM 0 HG12 VAL A 1 19.539 -12.510 10.395 1.00 0.00 H new ATOM 0 HG13 VAL A 1 20.671 -12.433 9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 1 21.848 -9.679 9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 1 21.333 -10.204 8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 1 20.673 -8.708 8.772 1.00 0.00 H new ATOM 19 N ASP A 2 16.971 -10.728 10.352 1.00 0.00 N ATOM 20 CA ASP A 2 15.832 -11.306 11.065 1.00 0.00 C ATOM 21 C ASP A 2 14.511 -10.916 10.391 1.00 0.00 C ATOM 22 O ASP A 2 13.431 -11.241 10.891 1.00 0.00 O ATOM 23 CB ASP A 2 15.837 -10.812 12.518 1.00 0.00 C ATOM 24 CG ASP A 2 15.656 -9.293 12.557 1.00 0.00 C ATOM 25 OD1 ASP A 2 16.630 -8.593 12.329 1.00 0.00 O ATOM 26 OD2 ASP A 2 14.545 -8.853 12.804 1.00 0.00 O ATOM 0 H ASP A 2 17.318 -9.857 10.753 1.00 0.00 H new ATOM 0 HA ASP A 2 15.921 -12.392 11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.037 -11.296 13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.775 -11.087 13.001 1.00 0.00 H new ATOM 31 N ASN A 3 14.613 -10.222 9.256 1.00 0.00 N ATOM 32 CA ASN A 3 13.433 -9.786 8.512 1.00 0.00 C ATOM 33 C ASN A 3 12.639 -10.989 7.999 1.00 0.00 C ATOM 34 O ASN A 3 13.217 -11.974 7.535 1.00 0.00 O ATOM 35 CB ASN A 3 13.854 -8.897 7.333 1.00 0.00 C ATOM 36 CG ASN A 3 14.812 -9.650 6.411 1.00 0.00 C ATOM 37 OD1 ASN A 3 15.960 -9.904 6.778 1.00 0.00 O ATOM 38 ND2 ASN A 3 14.407 -10.025 5.230 1.00 0.00 N ATOM 0 H ASN A 3 15.501 -9.951 8.833 1.00 0.00 H new ATOM 0 HA ASN A 3 12.795 -9.213 9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.973 -8.583 6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.334 -7.992 7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 3 15.041 -10.529 4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 3 13.456 -9.815 4.926 1.00 0.00 H new ATOM 45 N LYS A 4 11.313 -10.894 8.099 1.00 0.00 N ATOM 46 CA LYS A 4 10.419 -11.966 7.658 1.00 0.00 C ATOM 47 C LYS A 4 9.477 -11.445 6.570 1.00 0.00 C ATOM 48 O LYS A 4 9.771 -10.437 5.922 1.00 0.00 O ATOM 49 CB LYS A 4 9.607 -12.479 8.859 1.00 0.00 C ATOM 50 CG LYS A 4 10.563 -12.965 9.957 1.00 0.00 C ATOM 51 CD LYS A 4 9.762 -13.604 11.100 1.00 0.00 C ATOM 52 CE LYS A 4 10.692 -13.906 12.282 1.00 0.00 C ATOM 53 NZ LYS A 4 11.820 -14.770 11.826 1.00 0.00 N ATOM 0 H LYS A 4 10.832 -10.081 8.484 1.00 0.00 H new ATOM 0 HA LYS A 4 11.009 -12.785 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.968 -11.685 9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.952 -13.292 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.266 -13.689 9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.151 -12.129 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.964 -12.933 11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.288 -14.523 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.079 -12.976 12.700 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.137 -14.405 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.289 -15.193 12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.453 -15.525 11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.505 -14.195 11.296 1.00 0.00 H new ATOM 67 N PHE A 5 8.341 -12.127 6.383 1.00 0.00 N ATOM 68 CA PHE A 5 7.355 -11.716 5.381 1.00 0.00 C ATOM 69 C PHE A 5 6.882 -10.290 5.665 1.00 0.00 C ATOM 70 O PHE A 5 6.435 -9.577 4.767 1.00 0.00 O ATOM 71 CB PHE A 5 6.154 -12.676 5.403 1.00 0.00 C ATOM 72 CG PHE A 5 5.390 -12.519 6.705 1.00 0.00 C ATOM 73 CD1 PHE A 5 5.811 -13.200 7.855 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.266 -11.683 6.761 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.110 -13.047 9.056 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.567 -11.529 7.963 1.00 0.00 C ATOM 77 CZ PHE A 5 3.989 -12.211 9.111 1.00 0.00 C ATOM 0 H PHE A 5 8.084 -12.962 6.910 1.00 0.00 H new ATOM 0 HA PHE A 5 7.820 -11.747 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.497 -12.469 4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.498 -13.705 5.295 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.677 -13.844 7.814 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.940 -11.158 5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.434 -13.574 9.941 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.702 -10.884 8.006 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.449 -12.092 10.039 1.00 0.00 H new ATOM 87 N ASN A 6 7.006 -9.901 6.932 1.00 0.00 N ATOM 88 CA ASN A 6 6.616 -8.569 7.390 1.00 0.00 C ATOM 89 C ASN A 6 7.337 -7.487 6.585 1.00 0.00 C ATOM 90 O ASN A 6 6.824 -6.380 6.416 1.00 0.00 O ATOM 91 CB ASN A 6 6.951 -8.416 8.873 1.00 0.00 C ATOM 92 CG ASN A 6 6.198 -9.466 9.686 1.00 0.00 C ATOM 93 OD1 ASN A 6 6.794 -10.432 10.161 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.913 -9.333 9.875 1.00 0.00 N ATOM 0 H ASN A 6 7.379 -10.499 7.669 1.00 0.00 H new ATOM 0 HA ASN A 6 5.542 -8.453 7.243 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.025 -8.526 9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.681 -7.417 9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.402 -10.030 10.417 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.420 -8.532 9.481 1.00 0.00 H new ATOM 101 N LYS A 7 8.533 -7.823 6.094 1.00 0.00 N ATOM 102 CA LYS A 7 9.331 -6.887 5.304 1.00 0.00 C ATOM 103 C LYS A 7 8.544 -6.403 4.089 1.00 0.00 C ATOM 104 O LYS A 7 8.617 -5.233 3.711 1.00 0.00 O ATOM 105 CB LYS A 7 10.630 -7.572 4.854 1.00 0.00 C ATOM 106 CG LYS A 7 11.561 -6.555 4.178 1.00 0.00 C ATOM 107 CD LYS A 7 12.840 -7.260 3.706 1.00 0.00 C ATOM 108 CE LYS A 7 13.818 -6.234 3.125 1.00 0.00 C ATOM 109 NZ LYS A 7 13.283 -5.708 1.836 1.00 0.00 N ATOM 0 H LYS A 7 8.968 -8.736 6.230 1.00 0.00 H new ATOM 0 HA LYS A 7 9.574 -6.022 5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.130 -8.019 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.401 -8.382 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.056 -6.092 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.811 -5.756 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.304 -7.786 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.596 -8.009 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.965 -5.416 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.792 -6.695 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.022 -5.159 1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.990 -6.502 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.464 -5.096 2.024 1.00 0.00 H new ATOM 123 N GLU A 8 7.783 -7.319 3.501 1.00 0.00 N ATOM 124 CA GLU A 8 6.958 -7.005 2.335 1.00 0.00 C ATOM 125 C GLU A 8 5.884 -5.986 2.693 1.00 0.00 C ATOM 126 O GLU A 8 5.490 -5.158 1.872 1.00 0.00 O ATOM 127 CB GLU A 8 6.315 -8.284 1.774 1.00 0.00 C ATOM 128 CG GLU A 8 5.479 -7.955 0.522 1.00 0.00 C ATOM 129 CD GLU A 8 6.334 -7.265 -0.549 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.446 -7.715 -0.788 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.869 -6.286 -1.106 1.00 0.00 O ATOM 0 H GLU A 8 7.719 -8.288 3.812 1.00 0.00 H new ATOM 0 HA GLU A 8 7.600 -6.571 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.089 -9.009 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.682 -8.744 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.052 -8.872 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.645 -7.309 0.797 1.00 0.00 H new ATOM 138 N LEU A 9 5.417 -6.053 3.927 1.00 0.00 N ATOM 139 CA LEU A 9 4.396 -5.124 4.393 1.00 0.00 C ATOM 140 C LEU A 9 4.999 -3.744 4.576 1.00 0.00 C ATOM 141 O LEU A 9 4.332 -2.740 4.344 1.00 0.00 O ATOM 142 CB LEU A 9 3.771 -5.598 5.717 1.00 0.00 C ATOM 143 CG LEU A 9 2.896 -6.839 5.483 1.00 0.00 C ATOM 144 CD1 LEU A 9 3.769 -8.017 5.046 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.168 -7.204 6.781 1.00 0.00 C ATOM 0 H LEU A 9 5.724 -6.734 4.622 1.00 0.00 H new ATOM 0 HA LEU A 9 3.608 -5.083 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.558 -5.830 6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.170 -4.798 6.150 1.00 0.00 H new ATOM 0 HG LEU A 9 2.168 -6.620 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.142 -8.893 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.287 -7.763 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.501 -8.235 5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.547 -8.084 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.899 -7.417 7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.539 -6.370 7.092 1.00 0.00 H new ATOM 157 N GLY A 10 6.282 -3.703 4.946 1.00 0.00 N ATOM 158 CA GLY A 10 6.978 -2.439 5.111 1.00 0.00 C ATOM 159 C GLY A 10 7.287 -1.900 3.739 1.00 0.00 C ATOM 160 O GLY A 10 7.375 -0.690 3.520 1.00 0.00 O ATOM 0 H GLY A 10 6.851 -4.529 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.362 -1.734 5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.896 -2.580 5.681 1.00 0.00 H new ATOM 164 N TRP A 11 7.458 -2.846 2.820 1.00 0.00 N ATOM 165 CA TRP A 11 7.770 -2.531 1.451 1.00 0.00 C ATOM 166 C TRP A 11 6.660 -1.724 0.800 1.00 0.00 C ATOM 167 O TRP A 11 6.895 -0.654 0.266 1.00 0.00 O ATOM 168 CB TRP A 11 7.942 -3.838 0.676 1.00 0.00 C ATOM 169 CG TRP A 11 8.520 -3.519 -0.638 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.817 -3.304 -0.837 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.853 -3.355 -1.918 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.011 -2.986 -2.172 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.826 -3.023 -2.882 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.514 -3.462 -2.332 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.486 -2.802 -4.217 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.166 -3.243 -3.672 1.00 0.00 C ATOM 177 CH2 TRP A 11 7.151 -2.914 -4.614 1.00 0.00 C ATOM 0 H TRP A 11 7.382 -3.845 3.013 1.00 0.00 H new ATOM 0 HA TRP A 11 8.684 -1.937 1.434 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.593 -4.521 1.222 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.981 -4.339 0.557 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.589 -3.367 -0.085 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.916 -2.753 -2.580 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.749 -3.715 -1.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.249 -2.546 -4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.134 -3.328 -3.980 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.878 -2.747 -5.646 1.00 0.00 H new ATOM 188 N ALA A 12 5.447 -2.232 0.844 1.00 0.00 N ATOM 189 CA ALA A 12 4.346 -1.507 0.243 1.00 0.00 C ATOM 190 C ALA A 12 3.978 -0.259 1.033 1.00 0.00 C ATOM 191 O ALA A 12 3.511 0.706 0.465 1.00 0.00 O ATOM 192 CB ALA A 12 3.122 -2.390 0.094 1.00 0.00 C ATOM 0 H ALA A 12 5.200 -3.122 1.278 1.00 0.00 H new ATOM 0 HA ALA A 12 4.687 -1.196 -0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.313 -1.817 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.363 -3.243 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.808 -2.746 1.075 1.00 0.00 H new ATOM 198 N THR A 13 4.153 -0.297 2.350 1.00 0.00 N ATOM 199 CA THR A 13 3.726 0.826 3.192 1.00 0.00 C ATOM 200 C THR A 13 4.338 2.124 2.741 1.00 0.00 C ATOM 201 O THR A 13 3.611 3.096 2.563 1.00 0.00 O ATOM 202 CB THR A 13 4.079 0.570 4.669 1.00 0.00 C ATOM 203 OG1 THR A 13 3.349 -0.550 5.137 1.00 0.00 O ATOM 204 CG2 THR A 13 3.728 1.795 5.533 1.00 0.00 C ATOM 0 H THR A 13 4.579 -1.075 2.854 1.00 0.00 H new ATOM 0 HA THR A 13 2.644 0.906 3.092 1.00 0.00 H new ATOM 0 HB THR A 13 5.150 0.381 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.582 -1.338 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.985 1.593 6.573 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.290 2.661 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.660 2.000 5.457 1.00 0.00 H new ATOM 212 N TRP A 14 5.635 2.142 2.506 1.00 0.00 N ATOM 213 CA TRP A 14 6.265 3.355 2.026 1.00 0.00 C ATOM 214 C TRP A 14 5.786 3.630 0.572 1.00 0.00 C ATOM 215 O TRP A 14 5.543 4.782 0.213 1.00 0.00 O ATOM 216 CB TRP A 14 7.801 3.233 2.158 1.00 0.00 C ATOM 217 CG TRP A 14 8.413 3.351 0.816 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.572 4.492 0.111 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.879 2.284 -0.010 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.072 4.168 -1.133 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.282 2.811 -1.246 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.976 0.913 0.199 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.754 1.991 -2.250 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.454 0.084 -0.806 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.835 0.620 -2.030 1.00 0.00 C ATOM 0 H TRP A 14 6.262 1.348 2.636 1.00 0.00 H new ATOM 0 HA TRP A 14 5.974 4.215 2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.185 4.012 2.816 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.065 2.276 2.609 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.346 5.488 0.462 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.261 4.844 -1.873 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.678 0.491 1.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.058 2.410 -3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.530 -0.980 -0.636 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.195 -0.030 -2.813 1.00 0.00 H new ATOM 236 N GLU A 15 5.655 2.562 -0.254 1.00 0.00 N ATOM 237 CA GLU A 15 5.215 2.705 -1.651 1.00 0.00 C ATOM 238 C GLU A 15 3.839 3.376 -1.750 1.00 0.00 C ATOM 239 O GLU A 15 3.643 4.313 -2.527 1.00 0.00 O ATOM 240 CB GLU A 15 5.089 1.302 -2.256 1.00 0.00 C ATOM 241 CG GLU A 15 6.449 0.615 -2.344 1.00 0.00 C ATOM 242 CD GLU A 15 7.168 0.988 -3.646 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.212 2.165 -3.972 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.671 0.091 -4.297 1.00 0.00 O ATOM 0 H GLU A 15 5.848 1.601 0.028 1.00 0.00 H new ATOM 0 HA GLU A 15 5.944 3.321 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.413 0.700 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.648 1.370 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.062 0.903 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.319 -0.466 -2.293 1.00 0.00 H new ATOM 251 N ILE A 16 2.913 2.894 -0.941 1.00 0.00 N ATOM 252 CA ILE A 16 1.545 3.424 -0.878 1.00 0.00 C ATOM 253 C ILE A 16 1.621 4.867 -0.437 1.00 0.00 C ATOM 254 O ILE A 16 1.091 5.777 -1.062 1.00 0.00 O ATOM 255 CB ILE A 16 0.803 2.595 0.180 1.00 0.00 C ATOM 256 CG1 ILE A 16 1.038 1.091 -0.105 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.695 2.939 0.244 1.00 0.00 C ATOM 258 CD1 ILE A 16 -0.234 0.394 -0.537 1.00 0.00 C ATOM 0 H ILE A 16 3.081 2.118 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 16 1.034 3.368 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 16 1.204 2.840 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.794 0.982 -0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.430 0.609 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.177 2.327 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.816 3.993 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.155 2.741 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.025 -0.659 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.982 0.479 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.612 0.859 -1.447 1.00 0.00 H new ATOM 270 N PHE A 17 2.324 5.029 0.652 1.00 0.00 N ATOM 271 CA PHE A 17 2.557 6.336 1.257 1.00 0.00 C ATOM 272 C PHE A 17 3.276 7.300 0.309 1.00 0.00 C ATOM 273 O PHE A 17 3.262 8.512 0.531 1.00 0.00 O ATOM 274 CB PHE A 17 3.409 6.150 2.513 1.00 0.00 C ATOM 275 CG PHE A 17 2.554 6.171 3.762 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.549 7.141 3.931 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.766 5.208 4.752 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.769 7.138 5.093 1.00 0.00 C ATOM 279 CE2 PHE A 17 1.988 5.208 5.910 1.00 0.00 C ATOM 280 CZ PHE A 17 0.990 6.174 6.085 1.00 0.00 C ATOM 0 H PHE A 17 2.760 4.258 1.157 1.00 0.00 H new ATOM 0 HA PHE A 17 1.586 6.770 1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.948 5.204 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.158 6.940 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.380 7.885 3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.535 4.461 4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.004 7.880 5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.156 4.462 6.672 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.391 6.176 6.984 1.00 0.00 H new ATOM 290 N ASN A 18 3.909 6.762 -0.734 1.00 0.00 N ATOM 291 CA ASN A 18 4.640 7.591 -1.691 1.00 0.00 C ATOM 292 C ASN A 18 3.726 8.003 -2.833 1.00 0.00 C ATOM 293 O ASN A 18 4.136 8.048 -3.997 1.00 0.00 O ATOM 294 CB ASN A 18 5.868 6.826 -2.216 1.00 0.00 C ATOM 295 CG ASN A 18 7.059 7.032 -1.280 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.208 6.956 -1.715 1.00 0.00 O ATOM 297 ND2 ASN A 18 6.855 7.288 -0.016 1.00 0.00 N ATOM 0 H ASN A 18 3.930 5.763 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 18 4.986 8.496 -1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.637 5.764 -2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.120 7.172 -3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.648 7.425 0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.903 7.351 0.344 1.00 0.00 H new ATOM 304 N LEU A 19 2.477 8.318 -2.487 1.00 0.00 N ATOM 305 CA LEU A 19 1.510 8.737 -3.474 1.00 0.00 C ATOM 306 C LEU A 19 1.228 10.221 -3.346 1.00 0.00 C ATOM 307 O LEU A 19 1.193 10.761 -2.238 1.00 0.00 O ATOM 308 CB LEU A 19 0.223 7.938 -3.326 1.00 0.00 C ATOM 309 CG LEU A 19 0.412 6.531 -3.914 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.931 5.824 -4.019 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.046 6.613 -5.297 1.00 0.00 C ATOM 0 H LEU A 19 2.122 8.288 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 19 1.924 8.549 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.053 7.868 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.593 8.449 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 19 1.070 5.968 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.786 4.828 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.377 5.740 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.594 6.397 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.173 5.608 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.401 7.190 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.018 7.100 -5.223 1.00 0.00 H new ATOM 323 N PRO A 20 1.071 10.892 -4.459 1.00 0.00 N ATOM 324 CA PRO A 20 0.845 12.350 -4.472 1.00 0.00 C ATOM 325 C PRO A 20 -0.467 12.843 -3.844 1.00 0.00 C ATOM 326 O PRO A 20 -0.590 14.053 -3.636 1.00 0.00 O ATOM 327 CB PRO A 20 0.893 12.761 -5.953 1.00 0.00 C ATOM 328 CG PRO A 20 1.137 11.526 -6.759 1.00 0.00 C ATOM 329 CD PRO A 20 1.108 10.325 -5.820 1.00 0.00 C ATOM 0 HA PRO A 20 1.612 12.808 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.044 13.233 -6.250 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.685 13.491 -6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.376 11.421 -7.532 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.100 11.588 -7.266 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.235 9.700 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.987 9.696 -5.960 1.00 0.00 H new ATOM 337 N ASN A 21 -1.470 11.974 -3.581 1.00 0.00 N ATOM 338 CA ASN A 21 -2.729 12.505 -3.038 1.00 0.00 C ATOM 339 C ASN A 21 -3.339 11.659 -1.921 1.00 0.00 C ATOM 340 O ASN A 21 -4.465 11.932 -1.510 1.00 0.00 O ATOM 341 CB ASN A 21 -3.747 12.655 -4.175 1.00 0.00 C ATOM 342 CG ASN A 21 -3.156 13.480 -5.317 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.966 14.688 -5.179 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.854 12.897 -6.442 1.00 0.00 N ATOM 0 H ASN A 21 -1.436 10.965 -3.726 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.485 13.468 -2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.038 11.671 -4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.651 13.136 -3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.460 13.442 -7.209 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.012 11.896 -6.556 1.00 0.00 H new ATOM 351 N LEU A 22 -2.625 10.654 -1.415 1.00 0.00 N ATOM 352 CA LEU A 22 -3.173 9.830 -0.348 1.00 0.00 C ATOM 353 C LEU A 22 -3.283 10.561 0.975 1.00 0.00 C ATOM 354 O LEU A 22 -2.576 11.537 1.239 1.00 0.00 O ATOM 355 CB LEU A 22 -2.290 8.621 -0.094 1.00 0.00 C ATOM 356 CG LEU A 22 -2.446 7.563 -1.182 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.678 6.312 -0.755 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.920 7.199 -1.358 1.00 0.00 C ATOM 0 H LEU A 22 -1.686 10.397 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.167 9.547 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.248 8.937 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.540 8.186 0.874 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.060 7.953 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.778 5.544 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.624 6.559 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.083 5.940 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.018 6.443 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.312 6.806 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.483 8.088 -1.642 1.00 0.00 H new ATOM 370 N ASN A 23 -4.143 10.004 1.818 1.00 0.00 N ATOM 371 CA ASN A 23 -4.353 10.487 3.164 1.00 0.00 C ATOM 372 C ASN A 23 -3.959 9.356 4.108 1.00 0.00 C ATOM 373 O ASN A 23 -4.084 8.182 3.746 1.00 0.00 O ATOM 374 CB ASN A 23 -5.825 10.862 3.366 1.00 0.00 C ATOM 375 CG ASN A 23 -6.001 11.586 4.697 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.694 12.772 4.808 1.00 0.00 O ATOM 377 ND2 ASN A 23 -6.470 10.933 5.720 1.00 0.00 N ATOM 0 H ASN A 23 -4.717 9.196 1.578 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.756 11.378 3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.162 11.499 2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.443 9.965 3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.584 11.404 6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.724 9.950 5.625 1.00 0.00 H new ATOM 384 N GLY A 24 -3.475 9.699 5.299 1.00 0.00 N ATOM 385 CA GLY A 24 -3.057 8.688 6.273 1.00 0.00 C ATOM 386 C GLY A 24 -4.119 7.602 6.433 1.00 0.00 C ATOM 387 O GLY A 24 -3.803 6.461 6.760 1.00 0.00 O ATOM 0 H GLY A 24 -3.362 10.663 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.118 8.237 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.871 9.163 7.236 1.00 0.00 H new ATOM 391 N VAL A 25 -5.377 7.971 6.181 1.00 0.00 N ATOM 392 CA VAL A 25 -6.491 7.034 6.283 1.00 0.00 C ATOM 393 C VAL A 25 -6.463 6.024 5.135 1.00 0.00 C ATOM 394 O VAL A 25 -6.579 4.819 5.362 1.00 0.00 O ATOM 395 CB VAL A 25 -7.813 7.810 6.258 1.00 0.00 C ATOM 396 CG1 VAL A 25 -8.989 6.824 6.258 1.00 0.00 C ATOM 397 CG2 VAL A 25 -7.900 8.695 7.508 1.00 0.00 C ATOM 0 H VAL A 25 -5.647 8.915 5.904 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.401 6.487 7.221 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.855 8.427 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.928 7.377 6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.928 6.185 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.948 6.208 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.838 9.250 7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.859 8.070 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.065 9.395 7.517 1.00 0.00 H new ATOM 407 N GLN A 26 -6.319 6.529 3.905 1.00 0.00 N ATOM 408 CA GLN A 26 -6.292 5.672 2.729 1.00 0.00 C ATOM 409 C GLN A 26 -5.056 4.809 2.710 1.00 0.00 C ATOM 410 O GLN A 26 -5.140 3.610 2.446 1.00 0.00 O ATOM 411 CB GLN A 26 -6.347 6.537 1.479 1.00 0.00 C ATOM 412 CG GLN A 26 -7.680 7.287 1.465 1.00 0.00 C ATOM 413 CD GLN A 26 -7.888 8.018 0.142 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.884 8.720 -0.027 1.00 0.00 O ATOM 415 NE2 GLN A 26 -7.014 7.892 -0.816 1.00 0.00 N ATOM 0 H GLN A 26 -6.220 7.524 3.705 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.158 5.010 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.516 7.242 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.251 5.919 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.497 6.584 1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.706 8.002 2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.187 7.311 -0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.157 8.375 -1.703 1.00 0.00 H new ATOM 424 N VAL A 27 -3.913 5.413 3.009 1.00 0.00 N ATOM 425 CA VAL A 27 -2.674 4.662 3.028 1.00 0.00 C ATOM 426 C VAL A 27 -2.790 3.539 4.040 1.00 0.00 C ATOM 427 O VAL A 27 -2.554 2.386 3.716 1.00 0.00 O ATOM 428 CB VAL A 27 -1.502 5.571 3.404 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.207 4.750 3.352 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.424 6.742 2.416 1.00 0.00 C ATOM 0 H VAL A 27 -3.822 6.403 3.237 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.491 4.252 2.035 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.642 5.969 4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.638 5.386 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.273 3.921 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.064 4.359 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.589 7.389 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.275 6.357 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.352 7.312 2.454 1.00 0.00 H new ATOM 440 N LYS A 28 -3.210 3.907 5.249 1.00 0.00 N ATOM 441 CA LYS A 28 -3.405 2.953 6.337 1.00 0.00 C ATOM 442 C LYS A 28 -4.344 1.853 5.894 1.00 0.00 C ATOM 443 O LYS A 28 -4.166 0.705 6.266 1.00 0.00 O ATOM 444 CB LYS A 28 -3.982 3.646 7.575 1.00 0.00 C ATOM 445 CG LYS A 28 -4.056 2.630 8.718 1.00 0.00 C ATOM 446 CD LYS A 28 -4.646 3.276 9.970 1.00 0.00 C ATOM 447 CE LYS A 28 -4.553 2.278 11.124 1.00 0.00 C ATOM 448 NZ LYS A 28 -5.508 1.156 10.889 1.00 0.00 N ATOM 0 H LYS A 28 -3.424 4.872 5.501 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.435 2.528 6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.356 4.491 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.974 4.043 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.668 1.780 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.060 2.245 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.104 4.190 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.684 3.558 9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.536 1.893 11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.783 2.774 12.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.780 0.735 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.356 1.517 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.055 0.433 10.295 1.00 0.00 H new ATOM 462 N ALA A 29 -5.328 2.213 5.079 1.00 0.00 N ATOM 463 CA ALA A 29 -6.273 1.242 4.571 1.00 0.00 C ATOM 464 C ALA A 29 -5.527 0.208 3.750 1.00 0.00 C ATOM 465 O ALA A 29 -5.758 -0.993 3.882 1.00 0.00 O ATOM 466 CB ALA A 29 -7.310 1.937 3.699 1.00 0.00 C ATOM 0 H ALA A 29 -5.487 3.169 4.760 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.780 0.755 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.019 1.201 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.842 2.682 4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.812 2.427 2.862 1.00 0.00 H new ATOM 472 N PHE A 30 -4.607 0.688 2.915 1.00 0.00 N ATOM 473 CA PHE A 30 -3.815 -0.184 2.111 1.00 0.00 C ATOM 474 C PHE A 30 -2.782 -0.865 2.991 1.00 0.00 C ATOM 475 O PHE A 30 -2.516 -2.056 2.830 1.00 0.00 O ATOM 476 CB PHE A 30 -3.192 0.596 0.975 1.00 0.00 C ATOM 477 CG PHE A 30 -4.292 1.263 0.182 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.324 0.488 -0.361 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.297 2.652 0.006 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.350 1.098 -1.073 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.320 3.255 -0.707 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.347 2.478 -1.247 1.00 0.00 C ATOM 0 H PHE A 30 -4.406 1.680 2.792 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.431 -0.963 1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.501 1.344 1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.614 -0.069 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.323 -0.584 -0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.504 3.253 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.148 0.502 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.323 4.326 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.143 2.951 -1.803 1.00 0.00 H new ATOM 492 N ILE A 31 -2.245 -0.113 3.969 1.00 0.00 N ATOM 493 CA ILE A 31 -1.293 -0.688 4.910 1.00 0.00 C ATOM 494 C ILE A 31 -2.026 -1.813 5.652 1.00 0.00 C ATOM 495 O ILE A 31 -1.440 -2.842 5.990 1.00 0.00 O ATOM 496 CB ILE A 31 -0.758 0.336 5.955 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.246 1.672 5.339 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.405 -0.307 6.717 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.333 1.497 3.937 1.00 0.00 C ATOM 0 H ILE A 31 -2.455 0.874 4.119 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.426 -1.039 4.350 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.601 0.585 6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.068 2.387 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.517 2.098 5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.791 0.398 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.055 -1.206 7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.197 -0.571 6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.673 2.462 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.175 0.805 3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.435 1.099 3.273 1.00 0.00 H new ATOM 511 N ASP A 32 -3.334 -1.597 5.882 1.00 0.00 N ATOM 512 CA ASP A 32 -4.168 -2.590 6.555 1.00 0.00 C ATOM 513 C ASP A 32 -4.353 -3.805 5.652 1.00 0.00 C ATOM 514 O ASP A 32 -4.300 -4.949 6.110 1.00 0.00 O ATOM 515 CB ASP A 32 -5.539 -1.983 6.929 1.00 0.00 C ATOM 516 CG ASP A 32 -5.411 -0.952 8.065 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.416 -0.970 8.774 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.325 -0.157 8.211 1.00 0.00 O ATOM 0 H ASP A 32 -3.827 -0.746 5.611 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.672 -2.903 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.978 -1.507 6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.219 -2.779 7.234 1.00 0.00 H new ATOM 523 N SER A 33 -4.545 -3.538 4.356 1.00 0.00 N ATOM 524 CA SER A 33 -4.714 -4.600 3.365 1.00 0.00 C ATOM 525 C SER A 33 -3.440 -5.440 3.272 1.00 0.00 C ATOM 526 O SER A 33 -3.491 -6.639 2.994 1.00 0.00 O ATOM 527 CB SER A 33 -5.037 -3.994 1.997 1.00 0.00 C ATOM 528 OG SER A 33 -6.142 -3.108 2.122 1.00 0.00 O ATOM 0 H SER A 33 -4.587 -2.594 3.971 1.00 0.00 H new ATOM 0 HA SER A 33 -5.540 -5.241 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.170 -3.459 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.269 -4.784 1.283 1.00 0.00 H new ATOM 0 HG SER A 33 -5.870 -2.316 2.631 1.00 0.00 H new ATOM 534 N LEU A 34 -2.297 -4.787 3.507 1.00 0.00 N ATOM 535 CA LEU A 34 -0.994 -5.457 3.456 1.00 0.00 C ATOM 536 C LEU A 34 -0.970 -6.627 4.436 1.00 0.00 C ATOM 537 O LEU A 34 -0.542 -7.732 4.099 1.00 0.00 O ATOM 538 CB LEU A 34 0.118 -4.459 3.863 1.00 0.00 C ATOM 539 CG LEU A 34 1.105 -4.190 2.725 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.503 -5.499 2.028 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.448 -3.213 1.750 1.00 0.00 C ATOM 0 H LEU A 34 -2.248 -3.794 3.735 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.827 -5.819 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.337 -3.519 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.659 -4.853 4.724 1.00 0.00 H new ATOM 0 HG LEU A 34 2.023 -3.752 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.205 -5.283 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.973 -6.167 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.614 -5.977 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.132 -3.004 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.469 -3.653 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.211 -2.285 2.270 1.00 0.00 H new ATOM 553 N ARG A 35 -1.445 -6.359 5.647 1.00 0.00 N ATOM 554 CA ARG A 35 -1.506 -7.374 6.700 1.00 0.00 C ATOM 555 C ARG A 35 -2.442 -8.506 6.289 1.00 0.00 C ATOM 556 O ARG A 35 -2.170 -9.681 6.546 1.00 0.00 O ATOM 557 CB ARG A 35 -2.021 -6.738 7.994 1.00 0.00 C ATOM 558 CG ARG A 35 -1.006 -5.708 8.519 1.00 0.00 C ATOM 559 CD ARG A 35 -1.738 -4.473 9.058 1.00 0.00 C ATOM 560 NE ARG A 35 -2.933 -4.863 9.805 1.00 0.00 N ATOM 561 CZ ARG A 35 -3.984 -4.056 9.895 1.00 0.00 C ATOM 562 NH1 ARG A 35 -3.987 -3.083 10.760 1.00 0.00 N ATOM 563 NH2 ARG A 35 -5.010 -4.235 9.114 1.00 0.00 N ATOM 0 H ARG A 35 -1.796 -5.443 5.928 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.506 -7.778 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.981 -6.254 7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.189 -7.510 8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.399 -6.153 9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.325 -5.416 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.071 -3.902 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.017 -3.820 8.231 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.960 -5.773 10.266 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.182 -2.940 11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.795 -2.464 10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.006 -4.995 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.817 -3.616 9.183 1.00 0.00 H new ATOM 577 N ASP A 36 -3.541 -8.128 5.639 1.00 0.00 N ATOM 578 CA ASP A 36 -4.537 -9.085 5.170 1.00 0.00 C ATOM 579 C ASP A 36 -3.960 -9.969 4.070 1.00 0.00 C ATOM 580 O ASP A 36 -4.401 -11.103 3.871 1.00 0.00 O ATOM 581 CB ASP A 36 -5.771 -8.337 4.649 1.00 0.00 C ATOM 582 CG ASP A 36 -6.894 -9.325 4.328 1.00 0.00 C ATOM 583 OD1 ASP A 36 -7.612 -9.692 5.244 1.00 0.00 O ATOM 584 OD2 ASP A 36 -7.016 -9.700 3.174 1.00 0.00 O ATOM 0 H ASP A 36 -3.764 -7.156 5.424 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.827 -9.722 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.111 -7.619 5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.510 -7.769 3.756 1.00 0.00 H new ATOM 589 N ASP A 37 -2.965 -9.434 3.369 1.00 0.00 N ATOM 590 CA ASP A 37 -2.310 -10.154 2.292 1.00 0.00 C ATOM 591 C ASP A 37 -1.033 -9.433 1.874 1.00 0.00 C ATOM 592 O ASP A 37 -1.086 -8.341 1.299 1.00 0.00 O ATOM 593 CB ASP A 37 -3.240 -10.301 1.083 1.00 0.00 C ATOM 594 CG ASP A 37 -2.777 -11.464 0.200 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.602 -11.501 -0.141 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.604 -12.300 -0.128 1.00 0.00 O ATOM 0 H ASP A 37 -2.596 -8.497 3.532 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.058 -11.149 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.262 -10.475 1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.247 -9.377 0.506 1.00 0.00 H new ATOM 601 N PRO A 38 0.105 -10.019 2.153 1.00 0.00 N ATOM 602 CA PRO A 38 1.424 -9.428 1.803 1.00 0.00 C ATOM 603 C PRO A 38 1.744 -9.513 0.312 1.00 0.00 C ATOM 604 O PRO A 38 2.488 -8.685 -0.213 1.00 0.00 O ATOM 605 CB PRO A 38 2.425 -10.229 2.647 1.00 0.00 C ATOM 606 CG PRO A 38 1.634 -11.191 3.472 1.00 0.00 C ATOM 607 CD PRO A 38 0.274 -11.316 2.826 1.00 0.00 C ATOM 0 HA PRO A 38 1.452 -8.359 2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.130 -10.760 2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.009 -9.565 3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.131 -12.160 3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.542 -10.834 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.238 -12.145 2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.508 -11.492 3.564 1.00 0.00 H new ATOM 615 N SER A 39 1.170 -10.505 -0.368 1.00 0.00 N ATOM 616 CA SER A 39 1.396 -10.676 -1.803 1.00 0.00 C ATOM 617 C SER A 39 0.698 -9.566 -2.584 1.00 0.00 C ATOM 618 O SER A 39 1.123 -9.195 -3.679 1.00 0.00 O ATOM 619 CB SER A 39 0.868 -12.039 -2.261 1.00 0.00 C ATOM 620 OG SER A 39 1.302 -12.288 -3.593 1.00 0.00 O ATOM 0 H SER A 39 0.549 -11.199 0.048 1.00 0.00 H new ATOM 0 HA SER A 39 2.468 -10.625 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.229 -12.824 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.221 -12.055 -2.212 1.00 0.00 H new ATOM 0 HG SER A 39 0.967 -13.160 -3.889 1.00 0.00 H new ATOM 626 N GLN A 40 -0.390 -9.061 -2.006 1.00 0.00 N ATOM 627 CA GLN A 40 -1.185 -8.014 -2.626 1.00 0.00 C ATOM 628 C GLN A 40 -0.524 -6.659 -2.573 1.00 0.00 C ATOM 629 O GLN A 40 -1.019 -5.745 -3.201 1.00 0.00 O ATOM 630 CB GLN A 40 -2.546 -7.906 -1.928 1.00 0.00 C ATOM 631 CG GLN A 40 -3.338 -9.205 -2.097 1.00 0.00 C ATOM 632 CD GLN A 40 -3.757 -9.401 -3.553 1.00 0.00 C ATOM 633 OE1 GLN A 40 -3.735 -10.520 -4.060 1.00 0.00 O ATOM 634 NE2 GLN A 40 -4.136 -8.374 -4.257 1.00 0.00 N ATOM 0 H GLN A 40 -0.741 -9.367 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.296 -8.297 -3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.402 -7.696 -0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.110 -7.072 -2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.732 -10.050 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.222 -9.183 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.154 -7.445 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.415 -8.498 -5.230 1.00 0.00 H new ATOM 643 N SER A 41 0.566 -6.518 -1.825 1.00 0.00 N ATOM 644 CA SER A 41 1.216 -5.221 -1.666 1.00 0.00 C ATOM 645 C SER A 41 1.220 -4.412 -2.964 1.00 0.00 C ATOM 646 O SER A 41 0.906 -3.229 -2.938 1.00 0.00 O ATOM 647 CB SER A 41 2.659 -5.446 -1.170 1.00 0.00 C ATOM 648 OG SER A 41 3.601 -4.992 -2.138 1.00 0.00 O ATOM 0 H SER A 41 1.016 -7.282 -1.321 1.00 0.00 H new ATOM 0 HA SER A 41 0.651 -4.641 -0.936 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.812 -4.916 -0.230 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.819 -6.505 -0.969 1.00 0.00 H new ATOM 0 HG SER A 41 4.486 -5.357 -1.929 1.00 0.00 H new ATOM 654 N ALA A 42 1.518 -5.053 -4.083 1.00 0.00 N ATOM 655 CA ALA A 42 1.520 -4.368 -5.367 1.00 0.00 C ATOM 656 C ALA A 42 0.108 -3.938 -5.765 1.00 0.00 C ATOM 657 O ALA A 42 -0.092 -2.873 -6.346 1.00 0.00 O ATOM 658 CB ALA A 42 2.085 -5.301 -6.424 1.00 0.00 C ATOM 0 H ALA A 42 1.761 -6.043 -4.129 1.00 0.00 H new ATOM 0 HA ALA A 42 2.136 -3.473 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.090 -4.796 -7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.104 -5.581 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.467 -6.197 -6.486 1.00 0.00 H new ATOM 664 N ASN A 43 -0.862 -4.777 -5.425 1.00 0.00 N ATOM 665 CA ASN A 43 -2.255 -4.507 -5.703 1.00 0.00 C ATOM 666 C ASN A 43 -2.745 -3.390 -4.800 1.00 0.00 C ATOM 667 O ASN A 43 -3.497 -2.523 -5.205 1.00 0.00 O ATOM 668 CB ASN A 43 -3.081 -5.765 -5.476 1.00 0.00 C ATOM 669 CG ASN A 43 -4.516 -5.555 -5.940 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.765 -5.307 -7.119 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.477 -5.640 -5.068 1.00 0.00 N ATOM 0 H ASN A 43 -0.698 -5.664 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.364 -4.199 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.637 -6.601 -6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.070 -6.028 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.444 -5.501 -5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.263 -5.846 -4.092 1.00 0.00 H new ATOM 678 N LEU A 44 -2.273 -3.435 -3.566 1.00 0.00 N ATOM 679 CA LEU A 44 -2.597 -2.446 -2.560 1.00 0.00 C ATOM 680 C LEU A 44 -2.039 -1.142 -3.039 1.00 0.00 C ATOM 681 O LEU A 44 -2.674 -0.102 -2.924 1.00 0.00 O ATOM 682 CB LEU A 44 -2.013 -2.897 -1.213 1.00 0.00 C ATOM 683 CG LEU A 44 -2.476 -4.342 -0.981 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.054 -4.881 0.361 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.977 -4.424 -1.119 1.00 0.00 C ATOM 0 H LEU A 44 -1.647 -4.169 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.670 -2.330 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.925 -2.839 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.357 -2.248 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.994 -4.960 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.409 -5.906 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.967 -4.864 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.481 -4.264 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.302 -5.451 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.446 -3.772 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.268 -4.108 -2.121 1.00 0.00 H new ATOM 697 N LEU A 45 -0.875 -1.252 -3.664 1.00 0.00 N ATOM 698 CA LEU A 45 -0.231 -0.111 -4.283 1.00 0.00 C ATOM 699 C LEU A 45 -1.129 0.377 -5.395 1.00 0.00 C ATOM 700 O LEU A 45 -1.322 1.570 -5.593 1.00 0.00 O ATOM 701 CB LEU A 45 1.096 -0.514 -4.953 1.00 0.00 C ATOM 702 CG LEU A 45 2.291 -0.008 -4.185 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.088 1.467 -3.814 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.413 -0.915 -2.974 1.00 0.00 C ATOM 0 H LEU A 45 -0.358 -2.127 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.048 0.639 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.148 -1.600 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.124 -0.120 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 45 3.214 -0.039 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.955 1.825 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.969 2.058 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.196 1.567 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.265 -0.603 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.502 -0.851 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.560 -1.944 -3.303 1.00 0.00 H new ATOM 716 N ALA A 46 -1.652 -0.608 -6.125 1.00 0.00 N ATOM 717 CA ALA A 46 -2.521 -0.364 -7.263 1.00 0.00 C ATOM 718 C ALA A 46 -3.767 0.352 -6.812 1.00 0.00 C ATOM 719 O ALA A 46 -4.184 1.357 -7.388 1.00 0.00 O ATOM 720 CB ALA A 46 -2.922 -1.702 -7.882 1.00 0.00 C ATOM 0 H ALA A 46 -1.482 -1.596 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.992 0.248 -7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.575 -1.526 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.029 -2.233 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.449 -2.302 -7.141 1.00 0.00 H new ATOM 726 N GLU A 47 -4.320 -0.176 -5.739 1.00 0.00 N ATOM 727 CA GLU A 47 -5.486 0.371 -5.125 1.00 0.00 C ATOM 728 C GLU A 47 -5.158 1.740 -4.578 1.00 0.00 C ATOM 729 O GLU A 47 -5.990 2.644 -4.558 1.00 0.00 O ATOM 730 CB GLU A 47 -5.875 -0.549 -3.992 1.00 0.00 C ATOM 731 CG GLU A 47 -6.497 -1.861 -4.513 1.00 0.00 C ATOM 732 CD GLU A 47 -7.613 -1.584 -5.525 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.535 -0.855 -5.188 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.524 -2.100 -6.627 1.00 0.00 O ATOM 0 H GLU A 47 -3.958 -1.008 -5.272 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.302 0.461 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.996 -0.777 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.586 -0.043 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.724 -2.473 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.896 -2.434 -3.676 1.00 0.00 H new ATOM 741 N ALA A 48 -3.914 1.865 -4.145 1.00 0.00 N ATOM 742 CA ALA A 48 -3.421 3.108 -3.605 1.00 0.00 C ATOM 743 C ALA A 48 -3.344 4.141 -4.698 1.00 0.00 C ATOM 744 O ALA A 48 -3.791 5.272 -4.520 1.00 0.00 O ATOM 745 CB ALA A 48 -2.032 2.903 -3.028 1.00 0.00 C ATOM 0 H ALA A 48 -3.228 1.111 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.100 3.446 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.664 3.845 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.074 2.157 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.359 2.559 -3.813 1.00 0.00 H new ATOM 751 N LYS A 49 -2.804 3.733 -5.851 1.00 0.00 N ATOM 752 CA LYS A 49 -2.713 4.636 -6.987 1.00 0.00 C ATOM 753 C LYS A 49 -4.109 5.028 -7.375 1.00 0.00 C ATOM 754 O LYS A 49 -4.375 6.171 -7.705 1.00 0.00 O ATOM 755 CB LYS A 49 -2.035 3.946 -8.159 1.00 0.00 C ATOM 756 CG LYS A 49 -0.529 3.842 -7.886 1.00 0.00 C ATOM 757 CD LYS A 49 -0.063 2.417 -8.162 1.00 0.00 C ATOM 758 CE LYS A 49 1.341 2.208 -7.586 1.00 0.00 C ATOM 759 NZ LYS A 49 2.319 3.047 -8.338 1.00 0.00 N ATOM 0 H LYS A 49 -2.431 2.798 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.124 5.513 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.459 2.953 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.212 4.506 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.016 4.544 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.316 4.112 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.758 1.705 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.057 2.228 -9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.355 2.474 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.620 1.157 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.285 2.817 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.228 2.857 -9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.127 4.053 -8.155 1.00 0.00 H new ATOM 773 N LYS A 50 -5.002 4.052 -7.285 1.00 0.00 N ATOM 774 CA LYS A 50 -6.400 4.276 -7.593 1.00 0.00 C ATOM 775 C LYS A 50 -6.999 5.275 -6.616 1.00 0.00 C ATOM 776 O LYS A 50 -7.764 6.157 -7.010 1.00 0.00 O ATOM 777 CB LYS A 50 -7.165 2.947 -7.549 1.00 0.00 C ATOM 778 CG LYS A 50 -6.914 2.157 -8.838 1.00 0.00 C ATOM 779 CD LYS A 50 -7.314 0.695 -8.622 1.00 0.00 C ATOM 780 CE LYS A 50 -8.811 0.602 -8.307 1.00 0.00 C ATOM 781 NZ LYS A 50 -9.258 -0.814 -8.417 1.00 0.00 N ATOM 0 H LYS A 50 -4.779 3.098 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.482 4.690 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.846 2.362 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.232 3.135 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.489 2.586 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.863 2.221 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.085 0.111 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.735 0.268 -7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.006 0.978 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.378 1.227 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.224 -0.903 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.246 -1.105 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.617 -1.424 -7.871 1.00 0.00 H new ATOM 795 N LEU A 51 -6.621 5.147 -5.347 1.00 0.00 N ATOM 796 CA LEU A 51 -7.110 6.068 -4.322 1.00 0.00 C ATOM 797 C LEU A 51 -6.477 7.441 -4.502 1.00 0.00 C ATOM 798 O LEU A 51 -7.155 8.465 -4.415 1.00 0.00 O ATOM 799 CB LEU A 51 -6.849 5.516 -2.911 1.00 0.00 C ATOM 800 CG LEU A 51 -8.192 5.121 -2.256 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.143 6.330 -2.191 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.853 3.995 -3.074 1.00 0.00 C ATOM 0 H LEU A 51 -5.986 4.425 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.189 6.170 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.189 4.650 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.342 6.266 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.994 4.776 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.082 6.030 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.684 7.123 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.337 6.695 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.800 3.717 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.034 4.342 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.193 3.128 -3.099 1.00 0.00 H new ATOM 814 N ASN A 52 -5.176 7.446 -4.774 1.00 0.00 N ATOM 815 CA ASN A 52 -4.448 8.687 -5.000 1.00 0.00 C ATOM 816 C ASN A 52 -4.961 9.358 -6.266 1.00 0.00 C ATOM 817 O ASN A 52 -5.206 10.558 -6.283 1.00 0.00 O ATOM 818 CB ASN A 52 -2.960 8.373 -5.126 1.00 0.00 C ATOM 819 CG ASN A 52 -2.252 9.359 -6.051 1.00 0.00 C ATOM 820 OD1 ASN A 52 -2.001 10.496 -5.670 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.917 8.984 -7.253 1.00 0.00 N ATOM 0 H ASN A 52 -4.605 6.604 -4.843 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.600 9.368 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.497 8.402 -4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.833 7.360 -5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.445 9.637 -7.878 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.127 8.037 -7.569 1.00 0.00 H new ATOM 828 N ASP A 53 -5.129 8.554 -7.312 1.00 0.00 N ATOM 829 CA ASP A 53 -5.633 9.045 -8.587 1.00 0.00 C ATOM 830 C ASP A 53 -7.011 9.644 -8.377 1.00 0.00 C ATOM 831 O ASP A 53 -7.355 10.680 -8.949 1.00 0.00 O ATOM 832 CB ASP A 53 -5.693 7.896 -9.611 1.00 0.00 C ATOM 833 CG ASP A 53 -4.285 7.463 -10.059 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.330 8.183 -9.796 1.00 0.00 O ATOM 835 OD2 ASP A 53 -4.183 6.404 -10.654 1.00 0.00 O ATOM 0 H ASP A 53 -4.922 7.555 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.963 9.812 -8.976 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.214 7.045 -9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.271 8.212 -10.480 1.00 0.00 H new ATOM 840 N ALA A 54 -7.770 8.990 -7.510 1.00 0.00 N ATOM 841 CA ALA A 54 -9.099 9.445 -7.156 1.00 0.00 C ATOM 842 C ALA A 54 -8.997 10.733 -6.343 1.00 0.00 C ATOM 843 O ALA A 54 -9.839 11.624 -6.467 1.00 0.00 O ATOM 844 CB ALA A 54 -9.818 8.368 -6.341 1.00 0.00 C ATOM 0 H ALA A 54 -7.481 8.134 -7.036 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.669 9.638 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.817 8.717 -6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.896 7.456 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.254 8.163 -5.431 1.00 0.00 H new ATOM 850 N GLN A 55 -7.941 10.826 -5.521 1.00 0.00 N ATOM 851 CA GLN A 55 -7.714 12.014 -4.698 1.00 0.00 C ATOM 852 C GLN A 55 -6.940 13.073 -5.481 1.00 0.00 C ATOM 853 O GLN A 55 -6.748 14.196 -5.008 1.00 0.00 O ATOM 854 CB GLN A 55 -6.959 11.629 -3.419 1.00 0.00 C ATOM 855 CG GLN A 55 -7.977 11.332 -2.311 1.00 0.00 C ATOM 856 CD GLN A 55 -7.288 11.279 -0.954 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.582 12.084 -0.070 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.385 10.376 -0.736 1.00 0.00 N ATOM 0 H GLN A 55 -7.237 10.096 -5.412 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.680 12.437 -4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.333 10.755 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.296 12.439 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.750 12.101 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.474 10.383 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.143 9.710 -1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.917 10.331 0.169 1.00 0.00 H new ATOM 867 N ALA A 56 -6.504 12.702 -6.683 1.00 0.00 N ATOM 868 CA ALA A 56 -5.755 13.609 -7.547 1.00 0.00 C ATOM 869 C ALA A 56 -6.689 14.610 -8.206 1.00 0.00 C ATOM 870 O ALA A 56 -7.830 14.278 -8.536 1.00 0.00 O ATOM 871 CB ALA A 56 -5.003 12.816 -8.622 1.00 0.00 C ATOM 0 H ALA A 56 -6.658 11.776 -7.081 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.035 14.151 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.448 13.504 -9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.309 12.124 -8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.716 12.256 -9.226 1.00 0.00 H new ATOM 877 N PRO A 57 -6.225 15.824 -8.396 1.00 0.00 N ATOM 878 CA PRO A 57 -7.029 16.903 -9.026 1.00 0.00 C ATOM 879 C PRO A 57 -7.612 16.475 -10.371 1.00 0.00 C ATOM 880 O PRO A 57 -7.046 15.626 -11.066 1.00 0.00 O ATOM 881 CB PRO A 57 -6.055 18.065 -9.220 1.00 0.00 C ATOM 882 CG PRO A 57 -4.718 17.624 -8.735 1.00 0.00 C ATOM 883 CD PRO A 57 -4.883 16.293 -8.014 1.00 0.00 C ATOM 0 HA PRO A 57 -7.882 17.167 -8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.005 18.350 -10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.392 18.942 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.027 17.519 -9.571 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.294 18.370 -8.062 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.114 15.581 -8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.799 16.415 -6.934 1.00 0.00 H new ATOM 891 N LYS A 58 -8.747 17.070 -10.713 1.00 0.00 N ATOM 892 CA LYS A 58 -9.439 16.767 -11.967 1.00 0.00 C ATOM 893 C LYS A 58 -10.092 18.028 -12.538 1.00 0.00 C ATOM 894 O LYS A 58 -9.992 18.235 -13.736 1.00 0.00 O ATOM 895 CB LYS A 58 -10.513 15.697 -11.720 1.00 0.00 C ATOM 896 CG LYS A 58 -9.846 14.383 -11.293 1.00 0.00 C ATOM 897 CD LYS A 58 -10.913 13.308 -11.061 1.00 0.00 C ATOM 898 CE LYS A 58 -10.251 12.018 -10.558 1.00 0.00 C ATOM 899 NZ LYS A 58 -9.673 12.244 -9.202 1.00 0.00 N ATOM 900 OXT LYS A 58 -10.685 18.769 -11.767 1.00 0.00 O ATOM 0 H LYS A 58 -9.214 17.771 -10.137 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.710 16.394 -12.686 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.204 16.033 -10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.099 15.541 -12.625 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.147 14.054 -12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.269 14.537 -10.381 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.644 13.660 -10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.453 13.113 -11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.984 11.212 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.469 11.706 -11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.762 11.749 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.527 13.263 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.327 11.878 -8.481 1.00 0.00 H new TER 914 LYS A 58