USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 962 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 16 HIS :FLIP no HD1:sc= -0.0133 F(o=-2.1,f=-1.1) USER MOD Set 1.2: A 98 GLN :FLIP amide:sc= -1.05 F(o=-2.7!,f=-1.1) USER MOD Set 2.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 SER OG : rot -160:sc= -1.81 USER MOD Set 3.1: A 39 TYR OH : rot -15:sc= -0.254 USER MOD Set 3.2: A 53 LYS NZ :NH3+ 148:sc= 1.8 (180deg=-0.175) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0361 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00985) USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= -0.842 (180deg=-2.59!) USER MOD Single : A 31 SER OG : rot -160:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 38 MET CE :methyl -136:sc= -0.425 (180deg=-2.13) USER MOD Single : A 45 HIS : no HD1:sc=-0.00471 X(o=-0.0047,f=-0.058) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.886 K(o=-0.89,f=-1.9) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -134:sc= 0.49 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0719 F(o=-0.8,f=-0.072) USER MOD Single : A 71 CYS SG : rot 170:sc= -1.44 USER MOD Single : A 76 SER OG : rot -60:sc= 0.121 USER MOD Single : A 77 TYR OH : rot 30:sc= -0.353 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 90 THR OG1 : rot -45:sc= 1.17 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 1:sc= 0.33 USER MOD Single : A 95 CYS SG : rot 102:sc= 0.0913 USER MOD Single : A 105 MET CE :methyl -158:sc= -0.0624 (180deg=-0.404) USER MOD Single : A 110 LYS NZ :NH3+ 146:sc= -0.32 (180deg=-1.85!) USER MOD Single : A 111 THR OG1 : rot -170:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.2!) USER MOD Single : A 115 SER OG : rot -53:sc= 1.01 USER MOD Single : A 116 SER OG : rot -10:sc= -0.352 USER MOD Single : A 117 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.7) USER MOD Single : A 119 ASN : amide:sc=-0.00353 X(o=-0.0035,f=-0.0035) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -88:sc= 0.109 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.039 -14.615 -7.839 1.00 0.00 N ATOM 2 CA GLY A 1 -20.725 -14.283 -7.320 1.00 0.00 C ATOM 3 C GLY A 1 -20.793 -13.373 -6.110 1.00 0.00 C ATOM 4 O GLY A 1 -21.098 -12.187 -6.233 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.939 -15.239 -8.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.590 -15.101 -7.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.531 -13.743 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.201 -15.200 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.140 -13.799 -8.102 1.00 0.00 H new ATOM 8 N SER A 2 -20.510 -13.930 -4.936 1.00 0.00 N ATOM 9 CA SER A 2 -20.546 -13.161 -3.698 1.00 0.00 C ATOM 10 C SER A 2 -19.141 -12.742 -3.277 1.00 0.00 C ATOM 11 O SER A 2 -18.191 -13.518 -3.385 1.00 0.00 O ATOM 12 CB SER A 2 -21.201 -13.981 -2.584 1.00 0.00 C ATOM 13 OG SER A 2 -22.575 -14.199 -2.851 1.00 0.00 O ATOM 0 H SER A 2 -20.254 -14.910 -4.817 1.00 0.00 H new ATOM 0 HA SER A 2 -21.136 -12.262 -3.874 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.690 -14.939 -2.485 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.090 -13.461 -1.632 1.00 0.00 H new ATOM 0 HG SER A 2 -22.970 -14.726 -2.125 1.00 0.00 H new ATOM 19 N SER A 3 -19.016 -11.509 -2.798 1.00 0.00 N ATOM 20 CA SER A 3 -17.727 -10.983 -2.365 1.00 0.00 C ATOM 21 C SER A 3 -17.358 -11.518 -0.984 1.00 0.00 C ATOM 22 O SER A 3 -18.226 -11.915 -0.208 1.00 0.00 O ATOM 23 CB SER A 3 -17.757 -9.454 -2.341 1.00 0.00 C ATOM 24 OG SER A 3 -16.557 -8.928 -1.801 1.00 0.00 O ATOM 0 H SER A 3 -19.792 -10.855 -2.700 1.00 0.00 H new ATOM 0 HA SER A 3 -16.971 -11.312 -3.077 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.901 -9.074 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.606 -9.113 -1.748 1.00 0.00 H new ATOM 0 HG SER A 3 -16.601 -7.949 -1.798 1.00 0.00 H new ATOM 30 N GLY A 4 -16.063 -11.525 -0.686 1.00 0.00 N ATOM 31 CA GLY A 4 -15.601 -12.013 0.601 1.00 0.00 C ATOM 32 C GLY A 4 -14.580 -13.126 0.467 1.00 0.00 C ATOM 33 O GLY A 4 -13.567 -13.135 1.165 1.00 0.00 O ATOM 0 H GLY A 4 -15.325 -11.202 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.163 -11.188 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.453 -12.374 1.177 1.00 0.00 H new ATOM 37 N SER A 5 -14.848 -14.067 -0.433 1.00 0.00 N ATOM 38 CA SER A 5 -13.948 -15.192 -0.653 1.00 0.00 C ATOM 39 C SER A 5 -12.496 -14.726 -0.698 1.00 0.00 C ATOM 40 O SER A 5 -12.185 -13.682 -1.272 1.00 0.00 O ATOM 41 CB SER A 5 -14.305 -15.912 -1.955 1.00 0.00 C ATOM 42 OG SER A 5 -13.869 -17.260 -1.928 1.00 0.00 O ATOM 0 H SER A 5 -15.681 -14.072 -1.021 1.00 0.00 H new ATOM 0 HA SER A 5 -14.063 -15.885 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.384 -15.878 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.846 -15.395 -2.798 1.00 0.00 H new ATOM 0 HG SER A 5 -14.110 -17.699 -2.770 1.00 0.00 H new ATOM 48 N SER A 6 -11.610 -15.508 -0.088 1.00 0.00 N ATOM 49 CA SER A 6 -10.191 -15.174 -0.055 1.00 0.00 C ATOM 50 C SER A 6 -9.404 -16.052 -1.023 1.00 0.00 C ATOM 51 O SER A 6 -9.835 -17.149 -1.375 1.00 0.00 O ATOM 52 CB SER A 6 -9.640 -15.338 1.363 1.00 0.00 C ATOM 53 OG SER A 6 -8.434 -14.612 1.528 1.00 0.00 O ATOM 0 H SER A 6 -11.850 -16.377 0.390 1.00 0.00 H new ATOM 0 HA SER A 6 -10.080 -14.134 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.379 -14.992 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.464 -16.394 1.568 1.00 0.00 H new ATOM 0 HG SER A 6 -8.103 -14.731 2.443 1.00 0.00 H new ATOM 59 N GLY A 7 -8.245 -15.560 -1.450 1.00 0.00 N ATOM 60 CA GLY A 7 -7.415 -16.311 -2.373 1.00 0.00 C ATOM 61 C GLY A 7 -6.695 -15.418 -3.364 1.00 0.00 C ATOM 62 O GLY A 7 -5.798 -14.662 -2.991 1.00 0.00 O ATOM 0 H GLY A 7 -7.866 -14.654 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.682 -16.889 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.035 -17.025 -2.916 1.00 0.00 H new ATOM 66 N ASP A 8 -7.087 -15.505 -4.630 1.00 0.00 N ATOM 67 CA ASP A 8 -6.473 -14.699 -5.679 1.00 0.00 C ATOM 68 C ASP A 8 -6.175 -13.290 -5.176 1.00 0.00 C ATOM 69 O ASP A 8 -6.847 -12.786 -4.277 1.00 0.00 O ATOM 70 CB ASP A 8 -7.387 -14.634 -6.904 1.00 0.00 C ATOM 71 CG ASP A 8 -7.688 -16.006 -7.474 1.00 0.00 C ATOM 72 OD1 ASP A 8 -7.669 -16.988 -6.702 1.00 0.00 O ATOM 73 OD2 ASP A 8 -7.945 -16.098 -8.692 1.00 0.00 O ATOM 0 H ASP A 8 -7.828 -16.126 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.533 -15.171 -5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.322 -14.144 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.917 -14.019 -7.672 1.00 0.00 H new ATOM 78 N ALA A 9 -5.162 -12.660 -5.763 1.00 0.00 N ATOM 79 CA ALA A 9 -4.776 -11.309 -5.375 1.00 0.00 C ATOM 80 C ALA A 9 -5.980 -10.374 -5.368 1.00 0.00 C ATOM 81 O ALA A 9 -6.575 -10.105 -6.411 1.00 0.00 O ATOM 82 CB ALA A 9 -3.699 -10.779 -6.311 1.00 0.00 C ATOM 0 H ALA A 9 -4.595 -13.064 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.375 -11.349 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.420 -9.769 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.824 -11.427 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.081 -10.761 -7.332 1.00 0.00 H new ATOM 88 N ALA A 10 -6.334 -9.882 -4.185 1.00 0.00 N ATOM 89 CA ALA A 10 -7.468 -8.976 -4.043 1.00 0.00 C ATOM 90 C ALA A 10 -7.378 -7.825 -5.039 1.00 0.00 C ATOM 91 O ALA A 10 -8.366 -7.469 -5.683 1.00 0.00 O ATOM 92 CB ALA A 10 -7.540 -8.441 -2.621 1.00 0.00 C ATOM 0 H ALA A 10 -5.852 -10.095 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.379 -9.536 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.391 -7.766 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.659 -9.272 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.622 -7.901 -2.388 1.00 0.00 H new ATOM 98 N LYS A 11 -6.189 -7.245 -5.161 1.00 0.00 N ATOM 99 CA LYS A 11 -5.970 -6.134 -6.079 1.00 0.00 C ATOM 100 C LYS A 11 -4.490 -5.996 -6.422 1.00 0.00 C ATOM 101 O LYS A 11 -3.631 -6.544 -5.734 1.00 0.00 O ATOM 102 CB LYS A 11 -6.486 -4.830 -5.467 1.00 0.00 C ATOM 103 CG LYS A 11 -6.640 -3.704 -6.475 1.00 0.00 C ATOM 104 CD LYS A 11 -7.726 -2.727 -6.058 1.00 0.00 C ATOM 105 CE LYS A 11 -7.549 -1.375 -6.733 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.250 -1.315 -8.045 1.00 0.00 N ATOM 0 H LYS A 11 -5.362 -7.526 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.521 -6.340 -6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.450 -5.017 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.801 -4.512 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.693 -3.174 -6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.880 -4.120 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.703 -3.137 -6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.706 -2.600 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.932 -0.590 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.487 -1.178 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.106 -0.378 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.868 -2.047 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.267 -1.477 -7.903 1.00 0.00 H new ATOM 120 N GLU A 12 -4.201 -5.258 -7.490 1.00 0.00 N ATOM 121 CA GLU A 12 -2.824 -5.048 -7.922 1.00 0.00 C ATOM 122 C GLU A 12 -2.729 -3.862 -8.879 1.00 0.00 C ATOM 123 O GLU A 12 -3.555 -3.708 -9.778 1.00 0.00 O ATOM 124 CB GLU A 12 -2.281 -6.308 -8.599 1.00 0.00 C ATOM 125 CG GLU A 12 -2.984 -6.650 -9.902 1.00 0.00 C ATOM 126 CD GLU A 12 -2.680 -8.058 -10.377 1.00 0.00 C ATOM 127 OE1 GLU A 12 -1.582 -8.565 -10.068 1.00 0.00 O ATOM 128 OE2 GLU A 12 -3.543 -8.653 -11.056 1.00 0.00 O ATOM 0 H GLU A 12 -4.901 -4.796 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.222 -4.830 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.217 -6.176 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.377 -7.149 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.060 -6.540 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.683 -5.938 -10.671 1.00 0.00 H new ATOM 135 N GLY A 13 -1.715 -3.026 -8.677 1.00 0.00 N ATOM 136 CA GLY A 13 -1.531 -1.865 -9.527 1.00 0.00 C ATOM 137 C GLY A 13 -0.341 -1.024 -9.109 1.00 0.00 C ATOM 138 O GLY A 13 0.117 -1.107 -7.970 1.00 0.00 O ATOM 0 H GLY A 13 -1.018 -3.132 -7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.397 -2.191 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.432 -1.253 -9.501 1.00 0.00 H new ATOM 142 N TRP A 14 0.161 -0.213 -10.033 1.00 0.00 N ATOM 143 CA TRP A 14 1.307 0.646 -9.755 1.00 0.00 C ATOM 144 C TRP A 14 0.937 1.741 -8.760 1.00 0.00 C ATOM 145 O TRP A 14 -0.053 2.450 -8.941 1.00 0.00 O ATOM 146 CB TRP A 14 1.827 1.272 -11.050 1.00 0.00 C ATOM 147 CG TRP A 14 2.557 0.301 -11.928 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.011 -0.518 -12.875 1.00 0.00 C ATOM 149 CD2 TRP A 14 3.966 0.046 -11.938 1.00 0.00 C ATOM 150 NE1 TRP A 14 2.995 -1.267 -13.473 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.203 -0.939 -12.917 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.049 0.555 -11.218 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.480 -1.423 -13.190 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.315 0.073 -11.490 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.522 -0.907 -12.470 1.00 0.00 C ATOM 0 H TRP A 14 -0.207 -0.132 -10.981 1.00 0.00 H new ATOM 0 HA TRP A 14 2.093 0.031 -9.316 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.988 1.692 -11.604 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.493 2.099 -10.804 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.960 -0.569 -13.118 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.850 -1.956 -14.211 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.900 1.312 -10.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.642 -2.179 -13.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.160 0.458 -10.938 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.524 -1.262 -12.660 1.00 0.00 H new ATOM 166 N LEU A 15 1.739 1.873 -7.708 1.00 0.00 N ATOM 167 CA LEU A 15 1.496 2.882 -6.684 1.00 0.00 C ATOM 168 C LEU A 15 2.796 3.283 -5.994 1.00 0.00 C ATOM 169 O LEU A 15 3.704 2.466 -5.836 1.00 0.00 O ATOM 170 CB LEU A 15 0.498 2.358 -5.650 1.00 0.00 C ATOM 171 CG LEU A 15 -0.812 1.797 -6.205 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.560 1.024 -5.130 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.679 2.917 -6.760 1.00 0.00 C ATOM 0 H LEU A 15 2.562 1.294 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 15 1.078 3.763 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.986 1.577 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.260 3.169 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.575 1.111 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.489 0.632 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.942 0.197 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.786 1.687 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.607 2.499 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.907 3.628 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.145 3.427 -7.562 1.00 0.00 H new ATOM 185 N HIS A 16 2.879 4.545 -5.585 1.00 0.00 N ATOM 186 CA HIS A 16 4.068 5.053 -4.910 1.00 0.00 C ATOM 187 C HIS A 16 4.022 4.738 -3.418 1.00 0.00 C ATOM 188 O HIS A 16 3.201 5.286 -2.682 1.00 0.00 O ATOM 189 CB HIS A 16 4.194 6.562 -5.120 1.00 0.00 C ATOM 190 CG HIS A 16 4.633 6.940 -6.501 1.00 0.00 C ATOM 191 ND1 HIS A 16 3.934 7.042 -7.656 1.00 0.00 N flip ATOM 192 CD2 HIS A 16 5.937 7.263 -6.814 1.00 0.00 C flip ATOM 193 CE1 HIS A 16 4.819 7.423 -8.635 1.00 0.00 C flip ATOM 194 NE2 HIS A 16 6.020 7.550 -8.101 1.00 0.00 N flip ATOM 0 H HIS A 16 2.137 5.234 -5.709 1.00 0.00 H new ATOM 0 HA HIS A 16 4.939 4.559 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.232 7.031 -4.912 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.906 6.963 -4.399 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.761 7.279 -6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.573 7.591 -9.673 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.868 7.823 -8.598 1.00 0.00 H new ATOM 203 N PHE A 17 4.907 3.850 -2.977 1.00 0.00 N ATOM 204 CA PHE A 17 4.966 3.461 -1.573 1.00 0.00 C ATOM 205 C PHE A 17 5.995 4.298 -0.819 1.00 0.00 C ATOM 206 O PHE A 17 7.193 4.226 -1.096 1.00 0.00 O ATOM 207 CB PHE A 17 5.311 1.975 -1.449 1.00 0.00 C ATOM 208 CG PHE A 17 5.817 1.589 -0.088 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.949 1.495 0.988 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.162 1.322 0.115 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.412 1.140 2.241 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.630 0.966 1.366 1.00 0.00 C ATOM 213 CZ PHE A 17 6.754 0.876 2.430 1.00 0.00 C ATOM 0 H PHE A 17 5.593 3.386 -3.572 1.00 0.00 H new ATOM 0 HA PHE A 17 3.986 3.638 -1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.425 1.384 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.066 1.722 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.898 1.702 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.852 1.393 -0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.725 1.069 3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.680 0.758 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.118 0.600 3.408 1.00 0.00 H new ATOM 223 N ARG A 18 5.519 5.092 0.134 1.00 0.00 N ATOM 224 CA ARG A 18 6.396 5.945 0.927 1.00 0.00 C ATOM 225 C ARG A 18 6.139 5.752 2.418 1.00 0.00 C ATOM 226 O ARG A 18 5.166 6.260 2.976 1.00 0.00 O ATOM 227 CB ARG A 18 6.193 7.413 0.549 1.00 0.00 C ATOM 228 CG ARG A 18 7.222 8.348 1.164 1.00 0.00 C ATOM 229 CD ARG A 18 6.998 9.788 0.727 1.00 0.00 C ATOM 230 NE ARG A 18 8.204 10.598 0.875 1.00 0.00 N ATOM 231 CZ ARG A 18 8.662 11.027 2.046 1.00 0.00 C ATOM 232 NH1 ARG A 18 8.019 10.724 3.164 1.00 0.00 N ATOM 233 NH2 ARG A 18 9.766 11.761 2.099 1.00 0.00 N ATOM 0 H ARG A 18 4.531 5.163 0.376 1.00 0.00 H new ATOM 0 HA ARG A 18 7.427 5.662 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.230 7.509 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.197 7.726 0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.170 8.284 2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.223 8.030 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.675 9.805 -0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.193 10.225 1.318 1.00 0.00 H new ATOM 0 HE ARG A 18 8.723 10.848 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.170 10.160 3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.373 11.055 4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.264 11.996 1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.117 12.090 2.998 1.00 0.00 H new ATOM 247 N PRO A 19 7.030 5.000 3.080 1.00 0.00 N ATOM 248 CA PRO A 19 6.921 4.722 4.516 1.00 0.00 C ATOM 249 C PRO A 19 7.186 5.959 5.367 1.00 0.00 C ATOM 250 O PRO A 19 8.120 6.718 5.104 1.00 0.00 O ATOM 251 CB PRO A 19 8.003 3.666 4.756 1.00 0.00 C ATOM 252 CG PRO A 19 8.999 3.891 3.671 1.00 0.00 C ATOM 253 CD PRO A 19 8.214 4.362 2.479 1.00 0.00 C ATOM 0 HA PRO A 19 5.919 4.396 4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.457 3.781 5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.590 2.658 4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.739 4.634 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.542 2.974 3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.786 5.066 1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.937 3.533 1.828 1.00 0.00 H new ATOM 261 N LEU A 20 6.360 6.157 6.388 1.00 0.00 N ATOM 262 CA LEU A 20 6.506 7.302 7.280 1.00 0.00 C ATOM 263 C LEU A 20 7.768 7.177 8.126 1.00 0.00 C ATOM 264 O LEU A 20 8.652 8.032 8.072 1.00 0.00 O ATOM 265 CB LEU A 20 5.280 7.427 8.187 1.00 0.00 C ATOM 266 CG LEU A 20 4.097 8.207 7.613 1.00 0.00 C ATOM 267 CD1 LEU A 20 4.507 9.635 7.288 1.00 0.00 C ATOM 268 CD2 LEU A 20 3.549 7.513 6.375 1.00 0.00 C ATOM 0 H LEU A 20 5.582 5.539 6.619 1.00 0.00 H new ATOM 0 HA LEU A 20 6.590 8.199 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.938 6.424 8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.588 7.905 9.117 1.00 0.00 H new ATOM 0 HG LEU A 20 3.309 8.239 8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.652 10.175 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.850 10.131 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.313 9.624 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.708 8.083 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.330 7.449 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.216 6.509 6.638 1.00 0.00 H new ATOM 280 N VAL A 21 7.848 6.104 8.906 1.00 0.00 N ATOM 281 CA VAL A 21 9.004 5.864 9.762 1.00 0.00 C ATOM 282 C VAL A 21 9.332 4.377 9.838 1.00 0.00 C ATOM 283 O VAL A 21 8.460 3.527 9.656 1.00 0.00 O ATOM 284 CB VAL A 21 8.769 6.401 11.186 1.00 0.00 C ATOM 285 CG1 VAL A 21 9.280 7.828 11.311 1.00 0.00 C ATOM 286 CG2 VAL A 21 7.293 6.320 11.549 1.00 0.00 C ATOM 0 H VAL A 21 7.125 5.386 8.963 1.00 0.00 H new ATOM 0 HA VAL A 21 9.844 6.396 9.316 1.00 0.00 H new ATOM 0 HB VAL A 21 9.327 5.779 11.886 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.105 8.190 12.324 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.348 7.852 11.097 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.753 8.467 10.602 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.145 6.704 12.559 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.712 6.916 10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.964 5.282 11.503 1.00 0.00 H new ATOM 296 N THR A 22 10.596 4.069 10.110 1.00 0.00 N ATOM 297 CA THR A 22 11.041 2.685 10.210 1.00 0.00 C ATOM 298 C THR A 22 11.734 2.425 11.543 1.00 0.00 C ATOM 299 O THR A 22 11.702 1.309 12.063 1.00 0.00 O ATOM 300 CB THR A 22 12.003 2.319 9.064 1.00 0.00 C ATOM 301 OG1 THR A 22 13.133 3.199 9.075 1.00 0.00 O ATOM 302 CG2 THR A 22 11.300 2.405 7.718 1.00 0.00 C ATOM 0 H THR A 22 11.330 4.760 10.265 1.00 0.00 H new ATOM 0 HA THR A 22 10.150 2.061 10.139 1.00 0.00 H new ATOM 0 HB THR A 22 12.339 1.293 9.215 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.741 2.959 8.345 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.000 2.142 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.458 1.714 7.703 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.938 3.421 7.561 1.00 0.00 H new ATOM 310 N ASP A 23 12.358 3.461 12.091 1.00 0.00 N ATOM 311 CA ASP A 23 13.058 3.345 13.366 1.00 0.00 C ATOM 312 C ASP A 23 12.076 3.401 14.532 1.00 0.00 C ATOM 313 O ASP A 23 12.122 2.568 15.437 1.00 0.00 O ATOM 314 CB ASP A 23 14.098 4.458 13.504 1.00 0.00 C ATOM 315 CG ASP A 23 15.109 4.449 12.375 1.00 0.00 C ATOM 316 OD1 ASP A 23 15.835 3.442 12.237 1.00 0.00 O ATOM 317 OD2 ASP A 23 15.176 5.449 11.630 1.00 0.00 O ATOM 0 H ASP A 23 12.394 4.391 11.673 1.00 0.00 H new ATOM 0 HA ASP A 23 13.565 2.380 13.388 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.592 5.423 13.527 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.619 4.349 14.455 1.00 0.00 H new ATOM 322 N LYS A 24 11.188 4.390 14.504 1.00 0.00 N ATOM 323 CA LYS A 24 10.194 4.556 15.558 1.00 0.00 C ATOM 324 C LYS A 24 10.845 4.486 16.935 1.00 0.00 C ATOM 325 O LYS A 24 10.293 3.897 17.864 1.00 0.00 O ATOM 326 CB LYS A 24 9.110 3.483 15.438 1.00 0.00 C ATOM 327 CG LYS A 24 7.749 3.934 15.939 1.00 0.00 C ATOM 328 CD LYS A 24 7.573 3.637 17.419 1.00 0.00 C ATOM 329 CE LYS A 24 6.109 3.694 17.829 1.00 0.00 C ATOM 330 NZ LYS A 24 5.540 5.060 17.664 1.00 0.00 N ATOM 0 H LYS A 24 11.137 5.089 13.763 1.00 0.00 H new ATOM 0 HA LYS A 24 9.737 5.539 15.442 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.022 3.183 14.394 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.420 2.601 15.998 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.633 5.004 15.765 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.966 3.432 15.371 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.977 2.650 17.644 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.145 4.356 18.006 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.536 2.987 17.229 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.011 3.383 18.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.562 5.074 18.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.112 5.742 18.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.548 5.320 16.657 1.00 0.00 H new ATOM 344 N GLY A 25 12.022 5.092 17.061 1.00 0.00 N ATOM 345 CA GLY A 25 12.727 5.087 18.329 1.00 0.00 C ATOM 346 C GLY A 25 13.676 6.261 18.469 1.00 0.00 C ATOM 347 O GLY A 25 13.462 7.148 19.295 1.00 0.00 O ATOM 0 H GLY A 25 12.500 5.586 16.307 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.003 5.110 19.144 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.287 4.157 18.426 1.00 0.00 H new ATOM 351 N LYS A 26 14.731 6.266 17.660 1.00 0.00 N ATOM 352 CA LYS A 26 15.718 7.338 17.697 1.00 0.00 C ATOM 353 C LYS A 26 15.195 8.583 16.988 1.00 0.00 C ATOM 354 O LYS A 26 14.100 8.575 16.425 1.00 0.00 O ATOM 355 CB LYS A 26 17.025 6.879 17.046 1.00 0.00 C ATOM 356 CG LYS A 26 17.829 5.920 17.906 1.00 0.00 C ATOM 357 CD LYS A 26 18.775 6.663 18.834 1.00 0.00 C ATOM 358 CE LYS A 26 20.020 7.135 18.099 1.00 0.00 C ATOM 359 NZ LYS A 26 19.837 8.491 17.511 1.00 0.00 N ATOM 0 H LYS A 26 14.924 5.539 16.971 1.00 0.00 H new ATOM 0 HA LYS A 26 15.907 7.588 18.741 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.798 6.398 16.095 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.636 7.753 16.823 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.151 5.302 18.495 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.400 5.247 17.266 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.261 7.520 19.269 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.063 6.012 19.659 1.00 0.00 H new ATOM 0 HE2 LYS A 26 20.865 7.149 18.788 1.00 0.00 H new ATOM 0 HE3 LYS A 26 20.265 6.426 17.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.735 9.014 17.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.540 8.402 16.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.108 9.006 18.046 1.00 0.00 H new ATOM 373 N ARG A 27 15.985 9.652 17.018 1.00 0.00 N ATOM 374 CA ARG A 27 15.602 10.904 16.379 1.00 0.00 C ATOM 375 C ARG A 27 16.135 10.971 14.950 1.00 0.00 C ATOM 376 O ARG A 27 17.261 11.411 14.717 1.00 0.00 O ATOM 377 CB ARG A 27 16.124 12.095 17.185 1.00 0.00 C ATOM 378 CG ARG A 27 15.565 12.165 18.597 1.00 0.00 C ATOM 379 CD ARG A 27 16.374 11.311 19.560 1.00 0.00 C ATOM 380 NE ARG A 27 17.766 11.743 19.638 1.00 0.00 N ATOM 381 CZ ARG A 27 18.189 12.718 20.435 1.00 0.00 C ATOM 382 NH1 ARG A 27 17.332 13.358 21.218 1.00 0.00 N ATOM 383 NH2 ARG A 27 19.473 13.055 20.450 1.00 0.00 N ATOM 0 H ARG A 27 16.895 9.675 17.479 1.00 0.00 H new ATOM 0 HA ARG A 27 14.513 10.946 16.345 1.00 0.00 H new ATOM 0 HB2 ARG A 27 17.211 12.040 17.236 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.875 13.016 16.659 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.566 13.200 18.939 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.528 11.830 18.596 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.924 11.358 20.552 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.335 10.269 19.241 1.00 0.00 H new ATOM 0 HE ARG A 27 18.451 11.271 19.048 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.345 13.102 21.210 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.660 14.106 21.829 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.136 12.565 19.849 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.797 13.804 21.062 1.00 0.00 H new ATOM 397 N VAL A 28 15.319 10.530 13.998 1.00 0.00 N ATOM 398 CA VAL A 28 15.708 10.541 12.593 1.00 0.00 C ATOM 399 C VAL A 28 15.763 11.963 12.048 1.00 0.00 C ATOM 400 O VAL A 28 16.423 12.230 11.045 1.00 0.00 O ATOM 401 CB VAL A 28 14.733 9.711 11.735 1.00 0.00 C ATOM 402 CG1 VAL A 28 14.829 8.236 12.094 1.00 0.00 C ATOM 403 CG2 VAL A 28 13.309 10.219 11.906 1.00 0.00 C ATOM 0 H VAL A 28 14.385 10.161 14.174 1.00 0.00 H new ATOM 0 HA VAL A 28 16.701 10.096 12.536 1.00 0.00 H new ATOM 0 HB VAL A 28 15.011 9.824 10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.134 7.666 11.478 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.845 7.883 11.916 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.577 8.100 13.146 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.634 9.622 11.293 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.017 10.137 12.953 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.255 11.262 11.594 1.00 0.00 H new ATOM 413 N GLY A 29 15.063 12.875 12.717 1.00 0.00 N ATOM 414 CA GLY A 29 15.046 14.261 12.286 1.00 0.00 C ATOM 415 C GLY A 29 14.806 14.400 10.796 1.00 0.00 C ATOM 416 O GLY A 29 15.741 14.620 10.027 1.00 0.00 O ATOM 0 H GLY A 29 14.508 12.678 13.550 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.268 14.798 12.828 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.995 14.730 12.544 1.00 0.00 H new ATOM 420 N GLY A 30 13.548 14.272 10.386 1.00 0.00 N ATOM 421 CA GLY A 30 13.211 14.387 8.979 1.00 0.00 C ATOM 422 C GLY A 30 13.032 13.036 8.313 1.00 0.00 C ATOM 423 O GLY A 30 13.059 12.001 8.978 1.00 0.00 O ATOM 0 H GLY A 30 12.756 14.091 11.003 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.293 14.965 8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.996 14.941 8.465 1.00 0.00 H new ATOM 427 N SER A 31 12.846 13.047 6.997 1.00 0.00 N ATOM 428 CA SER A 31 12.656 11.814 6.242 1.00 0.00 C ATOM 429 C SER A 31 13.994 11.259 5.763 1.00 0.00 C ATOM 430 O SER A 31 15.047 11.850 6.006 1.00 0.00 O ATOM 431 CB SER A 31 11.735 12.060 5.046 1.00 0.00 C ATOM 432 OG SER A 31 12.268 13.055 4.188 1.00 0.00 O ATOM 0 H SER A 31 12.823 13.896 6.432 1.00 0.00 H new ATOM 0 HA SER A 31 12.193 11.080 6.902 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.599 11.132 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.751 12.368 5.398 1.00 0.00 H new ATOM 0 HG SER A 31 11.552 13.421 3.627 1.00 0.00 H new ATOM 438 N ILE A 32 13.945 10.121 5.080 1.00 0.00 N ATOM 439 CA ILE A 32 15.152 9.486 4.565 1.00 0.00 C ATOM 440 C ILE A 32 15.192 9.536 3.041 1.00 0.00 C ATOM 441 O ILE A 32 16.124 10.082 2.452 1.00 0.00 O ATOM 442 CB ILE A 32 15.256 8.019 5.022 1.00 0.00 C ATOM 443 CG1 ILE A 32 15.175 7.931 6.548 1.00 0.00 C ATOM 444 CG2 ILE A 32 16.550 7.398 4.518 1.00 0.00 C ATOM 445 CD1 ILE A 32 14.590 6.628 7.047 1.00 0.00 C ATOM 0 H ILE A 32 13.082 9.619 4.870 1.00 0.00 H new ATOM 0 HA ILE A 32 15.998 10.044 4.967 1.00 0.00 H new ATOM 0 HB ILE A 32 14.420 7.462 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.175 8.055 6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.570 8.758 6.920 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.609 6.361 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.570 7.433 3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 32 17.399 7.954 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.563 6.635 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.578 6.512 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.207 5.797 6.705 1.00 0.00 H new ATOM 457 N ARG A 33 14.173 8.963 2.409 1.00 0.00 N ATOM 458 CA ARG A 33 14.091 8.942 0.954 1.00 0.00 C ATOM 459 C ARG A 33 12.673 9.258 0.484 1.00 0.00 C ATOM 460 O ARG A 33 11.692 9.015 1.187 1.00 0.00 O ATOM 461 CB ARG A 33 14.525 7.577 0.416 1.00 0.00 C ATOM 462 CG ARG A 33 15.961 7.217 0.759 1.00 0.00 C ATOM 463 CD ARG A 33 16.581 6.326 -0.306 1.00 0.00 C ATOM 464 NE ARG A 33 17.984 6.032 -0.025 1.00 0.00 N ATOM 465 CZ ARG A 33 18.747 5.278 -0.808 1.00 0.00 C ATOM 466 NH1 ARG A 33 18.246 4.744 -1.913 1.00 0.00 N ATOM 467 NH2 ARG A 33 20.015 5.056 -0.485 1.00 0.00 N ATOM 0 H ARG A 33 13.393 8.507 2.882 1.00 0.00 H new ATOM 0 HA ARG A 33 14.763 9.708 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.861 6.810 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.406 7.568 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.551 8.128 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.990 6.708 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.021 5.393 -0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.500 6.813 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 33 18.400 6.427 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.272 4.912 -2.164 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.835 4.165 -2.512 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.404 5.465 0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.601 4.477 -1.087 1.00 0.00 H new ATOM 481 N PRO A 34 12.562 9.814 -0.731 1.00 0.00 N ATOM 482 CA PRO A 34 11.270 10.175 -1.322 1.00 0.00 C ATOM 483 C PRO A 34 10.442 8.951 -1.698 1.00 0.00 C ATOM 484 O PRO A 34 10.884 7.815 -1.527 1.00 0.00 O ATOM 485 CB PRO A 34 11.660 10.962 -2.575 1.00 0.00 C ATOM 486 CG PRO A 34 13.019 10.464 -2.928 1.00 0.00 C ATOM 487 CD PRO A 34 13.690 10.131 -1.624 1.00 0.00 C ATOM 0 HA PRO A 34 10.647 10.737 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.953 10.790 -3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.669 12.035 -2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.958 9.586 -3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.582 11.221 -3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.371 9.286 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.277 10.969 -1.248 1.00 0.00 H new ATOM 495 N TRP A 35 9.241 9.190 -2.210 1.00 0.00 N ATOM 496 CA TRP A 35 8.351 8.106 -2.611 1.00 0.00 C ATOM 497 C TRP A 35 9.131 6.982 -3.283 1.00 0.00 C ATOM 498 O TRP A 35 10.250 7.185 -3.756 1.00 0.00 O ATOM 499 CB TRP A 35 7.270 8.629 -3.557 1.00 0.00 C ATOM 500 CG TRP A 35 6.404 9.687 -2.943 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.693 11.017 -2.825 1.00 0.00 C ATOM 502 CD2 TRP A 35 5.108 9.504 -2.361 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.656 11.671 -2.205 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.671 10.765 -1.911 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.275 8.397 -2.179 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.439 10.946 -1.290 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.052 8.579 -1.562 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.643 9.846 -1.124 1.00 0.00 C ATOM 0 H TRP A 35 8.860 10.125 -2.358 1.00 0.00 H new ATOM 0 HA TRP A 35 7.877 7.708 -1.714 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.744 9.032 -4.452 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.643 7.797 -3.876 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.603 11.486 -3.169 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.624 12.669 -1.997 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.581 7.417 -2.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.122 11.921 -0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.400 7.731 -1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.681 9.956 -0.646 1.00 0.00 H new ATOM 519 N LYS A 36 8.536 5.795 -3.322 1.00 0.00 N ATOM 520 CA LYS A 36 9.174 4.637 -3.937 1.00 0.00 C ATOM 521 C LYS A 36 8.219 3.937 -4.899 1.00 0.00 C ATOM 522 O LYS A 36 7.413 3.102 -4.488 1.00 0.00 O ATOM 523 CB LYS A 36 9.643 3.655 -2.861 1.00 0.00 C ATOM 524 CG LYS A 36 10.652 4.249 -1.893 1.00 0.00 C ATOM 525 CD LYS A 36 12.078 4.009 -2.358 1.00 0.00 C ATOM 526 CE LYS A 36 12.584 5.157 -3.219 1.00 0.00 C ATOM 527 NZ LYS A 36 13.632 4.710 -4.179 1.00 0.00 N ATOM 0 H LYS A 36 7.611 5.609 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 36 10.038 4.987 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.777 3.303 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.085 2.784 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.476 5.320 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.512 3.810 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.729 3.888 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.125 3.079 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.750 5.594 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.989 5.941 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.951 5.521 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.439 4.316 -3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.239 3.980 -4.807 1.00 0.00 H new ATOM 541 N GLN A 37 8.318 4.281 -6.179 1.00 0.00 N ATOM 542 CA GLN A 37 7.463 3.684 -7.198 1.00 0.00 C ATOM 543 C GLN A 37 7.768 2.198 -7.362 1.00 0.00 C ATOM 544 O GLN A 37 8.835 1.824 -7.849 1.00 0.00 O ATOM 545 CB GLN A 37 7.646 4.405 -8.534 1.00 0.00 C ATOM 546 CG GLN A 37 6.514 4.159 -9.518 1.00 0.00 C ATOM 547 CD GLN A 37 6.494 5.169 -10.649 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.534 5.698 -11.043 1.00 0.00 O ATOM 549 NE2 GLN A 37 5.307 5.442 -11.179 1.00 0.00 N ATOM 0 H GLN A 37 8.981 4.969 -6.535 1.00 0.00 H new ATOM 0 HA GLN A 37 6.427 3.790 -6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.731 5.476 -8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.585 4.084 -8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.610 3.156 -9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.562 4.194 -8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.471 4.980 -10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.232 6.113 -11.943 1.00 0.00 H new ATOM 558 N MET A 38 6.825 1.357 -6.952 1.00 0.00 N ATOM 559 CA MET A 38 6.993 -0.088 -7.055 1.00 0.00 C ATOM 560 C MET A 38 5.641 -0.793 -7.078 1.00 0.00 C ATOM 561 O MET A 38 4.797 -0.566 -6.211 1.00 0.00 O ATOM 562 CB MET A 38 7.834 -0.610 -5.888 1.00 0.00 C ATOM 563 CG MET A 38 7.294 -0.210 -4.525 1.00 0.00 C ATOM 564 SD MET A 38 8.568 -0.201 -3.249 1.00 0.00 S ATOM 565 CE MET A 38 9.260 -1.840 -3.449 1.00 0.00 C ATOM 0 H MET A 38 5.937 1.651 -6.545 1.00 0.00 H new ATOM 0 HA MET A 38 7.510 -0.302 -7.990 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.885 -1.697 -5.945 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.853 -0.237 -5.990 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.846 0.781 -4.593 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.501 -0.899 -4.236 1.00 0.00 H new ATOM 0 HE1 MET A 38 9.407 -2.295 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.577 -2.454 -4.036 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.218 -1.770 -3.964 1.00 0.00 H new ATOM 575 N TYR A 39 5.441 -1.649 -8.075 1.00 0.00 N ATOM 576 CA TYR A 39 4.190 -2.384 -8.211 1.00 0.00 C ATOM 577 C TYR A 39 3.743 -2.953 -6.868 1.00 0.00 C ATOM 578 O TYR A 39 4.404 -3.819 -6.295 1.00 0.00 O ATOM 579 CB TYR A 39 4.348 -3.515 -9.229 1.00 0.00 C ATOM 580 CG TYR A 39 3.035 -4.013 -9.789 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.437 -3.386 -10.875 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.391 -5.112 -9.232 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.237 -3.838 -11.390 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.192 -5.571 -9.741 1.00 0.00 C ATOM 585 CZ TYR A 39 0.619 -4.930 -10.819 1.00 0.00 C ATOM 586 OH TYR A 39 -0.576 -5.384 -11.329 1.00 0.00 O ATOM 0 H TYR A 39 6.130 -1.850 -8.800 1.00 0.00 H new ATOM 0 HA TYR A 39 3.427 -1.690 -8.563 1.00 0.00 H new ATOM 0 HB2 TYR A 39 4.976 -3.168 -10.050 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.871 -4.347 -8.757 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.918 -2.530 -11.325 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.836 -5.616 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.786 -3.339 -12.235 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.706 -6.427 -9.297 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.962 -4.701 -11.916 1.00 0.00 H new ATOM 596 N VAL A 40 2.613 -2.458 -6.370 1.00 0.00 N ATOM 597 CA VAL A 40 2.075 -2.917 -5.095 1.00 0.00 C ATOM 598 C VAL A 40 0.949 -3.924 -5.304 1.00 0.00 C ATOM 599 O VAL A 40 -0.077 -3.608 -5.907 1.00 0.00 O ATOM 600 CB VAL A 40 1.546 -1.740 -4.254 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.935 -2.244 -2.955 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.659 -0.741 -3.977 1.00 0.00 C ATOM 0 H VAL A 40 2.054 -1.740 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 40 2.894 -3.398 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 40 0.766 -1.232 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.567 -1.398 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.108 -2.918 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.692 -2.777 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.268 0.084 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.463 -1.234 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.046 -0.356 -4.921 1.00 0.00 H new ATOM 612 N VAL A 41 1.149 -5.138 -4.802 1.00 0.00 N ATOM 613 CA VAL A 41 0.150 -6.193 -4.932 1.00 0.00 C ATOM 614 C VAL A 41 -0.508 -6.495 -3.591 1.00 0.00 C ATOM 615 O VAL A 41 0.171 -6.657 -2.576 1.00 0.00 O ATOM 616 CB VAL A 41 0.770 -7.487 -5.491 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.286 -8.575 -5.616 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.438 -7.223 -6.832 1.00 0.00 C ATOM 0 H VAL A 41 1.993 -5.416 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.605 -5.830 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 41 1.533 -7.834 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.171 -9.482 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.712 -8.783 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.074 -8.241 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.870 -8.149 -7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.698 -6.851 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.225 -6.480 -6.706 1.00 0.00 H new ATOM 628 N LEU A 42 -1.834 -6.569 -3.592 1.00 0.00 N ATOM 629 CA LEU A 42 -2.586 -6.853 -2.375 1.00 0.00 C ATOM 630 C LEU A 42 -3.172 -8.261 -2.412 1.00 0.00 C ATOM 631 O LEU A 42 -4.052 -8.556 -3.220 1.00 0.00 O ATOM 632 CB LEU A 42 -3.706 -5.827 -2.193 1.00 0.00 C ATOM 633 CG LEU A 42 -4.736 -6.143 -1.108 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.137 -5.935 0.274 1.00 0.00 C ATOM 635 CD2 LEU A 42 -5.980 -5.284 -1.287 1.00 0.00 C ATOM 0 H LEU A 42 -2.411 -6.436 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.900 -6.787 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.254 -4.862 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.230 -5.718 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.025 -7.190 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.885 -6.165 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.277 -6.593 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.819 -4.898 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.702 -5.522 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.708 -4.231 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.422 -5.483 -2.263 1.00 0.00 H new ATOM 647 N ARG A 43 -2.679 -9.124 -1.530 1.00 0.00 N ATOM 648 CA ARG A 43 -3.154 -10.501 -1.461 1.00 0.00 C ATOM 649 C ARG A 43 -3.641 -10.838 -0.055 1.00 0.00 C ATOM 650 O ARG A 43 -2.851 -11.191 0.819 1.00 0.00 O ATOM 651 CB ARG A 43 -2.043 -11.468 -1.874 1.00 0.00 C ATOM 652 CG ARG A 43 -1.574 -11.281 -3.307 1.00 0.00 C ATOM 653 CD ARG A 43 -0.854 -12.517 -3.823 1.00 0.00 C ATOM 654 NE ARG A 43 0.534 -12.570 -3.373 1.00 0.00 N ATOM 655 CZ ARG A 43 1.489 -13.236 -4.012 1.00 0.00 C ATOM 656 NH1 ARG A 43 1.208 -13.902 -5.123 1.00 0.00 N ATOM 657 NH2 ARG A 43 2.729 -13.237 -3.539 1.00 0.00 N ATOM 0 H ARG A 43 -1.951 -8.894 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.991 -10.605 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.194 -11.340 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.398 -12.491 -1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.430 -11.064 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.908 -10.420 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.379 -13.410 -3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.882 -12.524 -4.913 1.00 0.00 H new ATOM 0 HE ARG A 43 0.784 -12.068 -2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.256 -13.904 -5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.944 -14.413 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.949 -12.726 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.462 -13.749 -4.030 1.00 0.00 H new ATOM 671 N GLY A 44 -4.950 -10.727 0.155 1.00 0.00 N ATOM 672 CA GLY A 44 -5.519 -11.023 1.457 1.00 0.00 C ATOM 673 C GLY A 44 -5.300 -9.902 2.454 1.00 0.00 C ATOM 674 O GLY A 44 -5.995 -8.887 2.421 1.00 0.00 O ATOM 0 H GLY A 44 -5.625 -10.438 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.588 -11.206 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.076 -11.941 1.844 1.00 0.00 H new ATOM 678 N HIS A 45 -4.331 -10.087 3.345 1.00 0.00 N ATOM 679 CA HIS A 45 -4.022 -9.084 4.358 1.00 0.00 C ATOM 680 C HIS A 45 -2.550 -8.688 4.300 1.00 0.00 C ATOM 681 O HIS A 45 -2.032 -8.050 5.217 1.00 0.00 O ATOM 682 CB HIS A 45 -4.366 -9.612 5.751 1.00 0.00 C ATOM 683 CG HIS A 45 -4.036 -11.060 5.941 1.00 0.00 C ATOM 684 ND1 HIS A 45 -4.932 -12.076 5.684 1.00 0.00 N ATOM 685 CD2 HIS A 45 -2.899 -11.661 6.364 1.00 0.00 C ATOM 686 CE1 HIS A 45 -4.361 -13.239 5.942 1.00 0.00 C ATOM 687 NE2 HIS A 45 -3.127 -13.015 6.356 1.00 0.00 N ATOM 0 H HIS A 45 -3.746 -10.922 3.386 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.626 -8.200 4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.829 -9.025 6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.430 -9.463 5.934 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.983 -11.167 6.654 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.825 -14.208 5.833 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.453 -13.731 6.626 1.00 0.00 H new ATOM 696 N SER A 46 -1.881 -9.073 3.218 1.00 0.00 N ATOM 697 CA SER A 46 -0.467 -8.762 3.043 1.00 0.00 C ATOM 698 C SER A 46 -0.237 -7.987 1.749 1.00 0.00 C ATOM 699 O SER A 46 -0.796 -8.321 0.703 1.00 0.00 O ATOM 700 CB SER A 46 0.362 -10.048 3.034 1.00 0.00 C ATOM 701 OG SER A 46 0.262 -10.728 4.273 1.00 0.00 O ATOM 0 H SER A 46 -2.295 -9.601 2.450 1.00 0.00 H new ATOM 0 HA SER A 46 -0.151 -8.140 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.020 -10.699 2.230 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.406 -9.810 2.829 1.00 0.00 H new ATOM 0 HG SER A 46 0.799 -11.547 4.241 1.00 0.00 H new ATOM 707 N LEU A 47 0.589 -6.949 1.828 1.00 0.00 N ATOM 708 CA LEU A 47 0.894 -6.125 0.664 1.00 0.00 C ATOM 709 C LEU A 47 2.313 -6.385 0.169 1.00 0.00 C ATOM 710 O LEU A 47 3.287 -5.974 0.800 1.00 0.00 O ATOM 711 CB LEU A 47 0.726 -4.643 1.006 1.00 0.00 C ATOM 712 CG LEU A 47 -0.700 -4.096 0.932 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.791 -2.746 1.627 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.154 -3.983 -0.516 1.00 0.00 C ATOM 0 H LEU A 47 1.059 -6.659 2.685 1.00 0.00 H new ATOM 0 HA LEU A 47 0.197 -6.391 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.106 -4.478 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.353 -4.061 0.330 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.362 -4.792 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.813 -2.373 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.509 -2.856 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.116 -2.041 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.171 -3.592 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.488 -3.308 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.128 -4.967 -0.983 1.00 0.00 H new ATOM 726 N TYR A 48 2.422 -7.069 -0.965 1.00 0.00 N ATOM 727 CA TYR A 48 3.722 -7.385 -1.545 1.00 0.00 C ATOM 728 C TYR A 48 4.107 -6.361 -2.609 1.00 0.00 C ATOM 729 O TYR A 48 3.387 -6.166 -3.589 1.00 0.00 O ATOM 730 CB TYR A 48 3.705 -8.788 -2.153 1.00 0.00 C ATOM 731 CG TYR A 48 3.260 -9.862 -1.187 1.00 0.00 C ATOM 732 CD1 TYR A 48 4.107 -10.315 -0.183 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.992 -10.423 -1.277 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.705 -11.297 0.702 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.581 -11.404 -0.395 1.00 0.00 C ATOM 736 CZ TYR A 48 2.441 -11.838 0.592 1.00 0.00 C ATOM 737 OH TYR A 48 2.036 -12.815 1.472 1.00 0.00 O ATOM 0 H TYR A 48 1.626 -7.415 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 48 4.465 -7.351 -0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.042 -8.792 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.704 -9.029 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.097 -9.892 -0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.316 -10.087 -2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.377 -11.639 1.475 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.591 -11.829 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 48 1.119 -13.088 1.258 1.00 0.00 H new ATOM 747 N LEU A 49 5.248 -5.711 -2.409 1.00 0.00 N ATOM 748 CA LEU A 49 5.731 -4.707 -3.351 1.00 0.00 C ATOM 749 C LEU A 49 6.851 -5.270 -4.220 1.00 0.00 C ATOM 750 O LEU A 49 7.524 -6.229 -3.840 1.00 0.00 O ATOM 751 CB LEU A 49 6.227 -3.470 -2.599 1.00 0.00 C ATOM 752 CG LEU A 49 5.235 -2.836 -1.624 1.00 0.00 C ATOM 753 CD1 LEU A 49 5.317 -3.511 -0.264 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.494 -1.342 -1.496 1.00 0.00 C ATOM 0 H LEU A 49 5.856 -5.861 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 49 4.901 -4.423 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.126 -3.742 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.518 -2.717 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 49 4.228 -2.978 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.604 -3.046 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.081 -4.570 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.325 -3.401 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.779 -0.907 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.506 -1.179 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.383 -0.869 -2.471 1.00 0.00 H new ATOM 766 N TYR A 50 7.047 -4.667 -5.387 1.00 0.00 N ATOM 767 CA TYR A 50 8.086 -5.109 -6.310 1.00 0.00 C ATOM 768 C TYR A 50 8.631 -3.935 -7.119 1.00 0.00 C ATOM 769 O TYR A 50 7.873 -3.095 -7.605 1.00 0.00 O ATOM 770 CB TYR A 50 7.537 -6.181 -7.253 1.00 0.00 C ATOM 771 CG TYR A 50 7.061 -7.427 -6.542 1.00 0.00 C ATOM 772 CD1 TYR A 50 7.966 -8.319 -5.980 1.00 0.00 C ATOM 773 CD2 TYR A 50 5.706 -7.712 -6.431 1.00 0.00 C ATOM 774 CE1 TYR A 50 7.536 -9.459 -5.329 1.00 0.00 C ATOM 775 CE2 TYR A 50 5.266 -8.849 -5.781 1.00 0.00 C ATOM 776 CZ TYR A 50 6.185 -9.720 -5.232 1.00 0.00 C ATOM 777 OH TYR A 50 5.752 -10.854 -4.584 1.00 0.00 O ATOM 0 H TYR A 50 6.501 -3.871 -5.716 1.00 0.00 H new ATOM 0 HA TYR A 50 8.901 -5.533 -5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.710 -5.761 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.312 -6.455 -7.969 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.024 -8.117 -6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.984 -7.033 -6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.253 -10.142 -4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.209 -9.055 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 50 4.773 -10.888 -4.603 1.00 0.00 H new ATOM 787 N LYS A 51 9.951 -3.885 -7.259 1.00 0.00 N ATOM 788 CA LYS A 51 10.601 -2.817 -8.010 1.00 0.00 C ATOM 789 C LYS A 51 9.855 -2.534 -9.310 1.00 0.00 C ATOM 790 O LYS A 51 9.512 -1.389 -9.604 1.00 0.00 O ATOM 791 CB LYS A 51 12.054 -3.190 -8.314 1.00 0.00 C ATOM 792 CG LYS A 51 13.009 -2.891 -7.172 1.00 0.00 C ATOM 793 CD LYS A 51 13.300 -1.404 -7.062 1.00 0.00 C ATOM 794 CE LYS A 51 14.536 -1.139 -6.216 1.00 0.00 C ATOM 795 NZ LYS A 51 14.202 -1.008 -4.771 1.00 0.00 N ATOM 0 H LYS A 51 10.592 -4.572 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 51 10.584 -1.915 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.106 -4.253 -8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.381 -2.649 -9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.581 -3.249 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.941 -3.435 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.443 -0.986 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.442 -0.896 -6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.250 -1.952 -6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.023 -0.227 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.071 -0.828 -4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.541 -0.216 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.761 -1.888 -4.436 1.00 0.00 H new ATOM 809 N ASP A 52 9.607 -3.584 -10.085 1.00 0.00 N ATOM 810 CA ASP A 52 8.899 -3.449 -11.353 1.00 0.00 C ATOM 811 C ASP A 52 7.888 -4.577 -11.534 1.00 0.00 C ATOM 812 O ASP A 52 7.910 -5.569 -10.804 1.00 0.00 O ATOM 813 CB ASP A 52 9.891 -3.444 -12.517 1.00 0.00 C ATOM 814 CG ASP A 52 9.202 -3.521 -13.865 1.00 0.00 C ATOM 815 OD1 ASP A 52 8.247 -2.747 -14.087 1.00 0.00 O ATOM 816 OD2 ASP A 52 9.616 -4.354 -14.697 1.00 0.00 O ATOM 0 H ASP A 52 9.886 -4.538 -9.857 1.00 0.00 H new ATOM 0 HA ASP A 52 8.360 -2.502 -11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.495 -2.538 -12.472 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.574 -4.287 -12.412 1.00 0.00 H new ATOM 821 N LYS A 53 7.002 -4.420 -12.511 1.00 0.00 N ATOM 822 CA LYS A 53 5.983 -5.424 -12.790 1.00 0.00 C ATOM 823 C LYS A 53 6.504 -6.472 -13.767 1.00 0.00 C ATOM 824 O LYS A 53 5.818 -6.843 -14.719 1.00 0.00 O ATOM 825 CB LYS A 53 4.726 -4.761 -13.359 1.00 0.00 C ATOM 826 CG LYS A 53 3.482 -5.627 -13.257 1.00 0.00 C ATOM 827 CD LYS A 53 2.371 -5.114 -14.158 1.00 0.00 C ATOM 828 CE LYS A 53 1.423 -6.232 -14.564 1.00 0.00 C ATOM 829 NZ LYS A 53 0.578 -6.684 -13.425 1.00 0.00 N ATOM 0 H LYS A 53 6.969 -3.605 -13.124 1.00 0.00 H new ATOM 0 HA LYS A 53 5.732 -5.920 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.550 -3.823 -12.832 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.899 -4.511 -14.406 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.728 -6.653 -13.530 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.135 -5.646 -12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.814 -4.332 -13.642 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.804 -4.661 -15.050 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.783 -5.888 -15.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.998 -7.075 -14.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.348 -6.995 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.045 -7.476 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.446 -5.898 -12.757 1.00 0.00 H new ATOM 843 N ARG A 54 7.722 -6.947 -13.524 1.00 0.00 N ATOM 844 CA ARG A 54 8.335 -7.953 -14.383 1.00 0.00 C ATOM 845 C ARG A 54 8.099 -9.356 -13.831 1.00 0.00 C ATOM 846 O ARG A 54 8.941 -9.902 -13.119 1.00 0.00 O ATOM 847 CB ARG A 54 9.836 -7.692 -14.519 1.00 0.00 C ATOM 848 CG ARG A 54 10.589 -8.817 -15.211 1.00 0.00 C ATOM 849 CD ARG A 54 10.652 -8.602 -16.715 1.00 0.00 C ATOM 850 NE ARG A 54 11.563 -7.519 -17.076 1.00 0.00 N ATOM 851 CZ ARG A 54 12.439 -7.597 -18.071 1.00 0.00 C ATOM 852 NH1 ARG A 54 12.522 -8.700 -18.801 1.00 0.00 N ATOM 853 NH2 ARG A 54 13.234 -6.568 -18.338 1.00 0.00 N ATOM 0 H ARG A 54 8.303 -6.651 -12.740 1.00 0.00 H new ATOM 0 HA ARG A 54 7.871 -7.886 -15.367 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.987 -6.768 -15.077 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.261 -7.538 -13.527 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.600 -8.881 -14.809 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.101 -9.768 -14.998 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.975 -9.524 -17.200 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.654 -8.377 -17.091 1.00 0.00 H new ATOM 0 HE ARG A 54 11.524 -6.656 -16.534 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.912 -9.492 -18.599 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.196 -8.757 -19.565 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.172 -5.717 -17.779 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.907 -6.628 -19.102 1.00 0.00 H new ATOM 867 N GLU A 55 6.949 -9.933 -14.165 1.00 0.00 N ATOM 868 CA GLU A 55 6.603 -11.271 -13.701 1.00 0.00 C ATOM 869 C GLU A 55 6.979 -11.452 -12.233 1.00 0.00 C ATOM 870 O GLU A 55 7.608 -12.443 -11.862 1.00 0.00 O ATOM 871 CB GLU A 55 7.307 -12.328 -14.554 1.00 0.00 C ATOM 872 CG GLU A 55 6.545 -13.640 -14.649 1.00 0.00 C ATOM 873 CD GLU A 55 6.316 -14.281 -13.294 1.00 0.00 C ATOM 874 OE1 GLU A 55 5.398 -13.836 -12.574 1.00 0.00 O ATOM 875 OE2 GLU A 55 7.055 -15.228 -12.954 1.00 0.00 O ATOM 0 H GLU A 55 6.242 -9.495 -14.755 1.00 0.00 H new ATOM 0 HA GLU A 55 5.525 -11.395 -13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.457 -11.931 -15.558 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.295 -12.521 -14.136 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.583 -13.463 -15.130 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.097 -14.331 -15.285 1.00 0.00 H new ATOM 882 N GLN A 56 6.591 -10.488 -11.405 1.00 0.00 N ATOM 883 CA GLN A 56 6.889 -10.540 -9.979 1.00 0.00 C ATOM 884 C GLN A 56 8.235 -11.212 -9.728 1.00 0.00 C ATOM 885 O GLN A 56 8.417 -11.908 -8.729 1.00 0.00 O ATOM 886 CB GLN A 56 5.784 -11.290 -9.233 1.00 0.00 C ATOM 887 CG GLN A 56 4.561 -10.437 -8.938 1.00 0.00 C ATOM 888 CD GLN A 56 3.959 -9.828 -10.188 1.00 0.00 C ATOM 889 OE1 GLN A 56 3.878 -10.477 -11.232 1.00 0.00 O ATOM 890 NE2 GLN A 56 3.532 -8.574 -10.090 1.00 0.00 N ATOM 0 H GLN A 56 6.070 -9.661 -11.697 1.00 0.00 H new ATOM 0 HA GLN A 56 6.940 -9.517 -9.606 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.480 -12.154 -9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.185 -11.672 -8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.809 -11.047 -8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.836 -9.640 -8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.619 -8.073 -9.205 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.118 -8.112 -10.899 1.00 0.00 H new ATOM 899 N THR A 57 9.176 -11.001 -10.643 1.00 0.00 N ATOM 900 CA THR A 57 10.505 -11.587 -10.522 1.00 0.00 C ATOM 901 C THR A 57 11.520 -10.554 -10.048 1.00 0.00 C ATOM 902 O THR A 57 12.510 -10.893 -9.399 1.00 0.00 O ATOM 903 CB THR A 57 10.981 -12.180 -11.862 1.00 0.00 C ATOM 904 OG1 THR A 57 12.178 -12.940 -11.663 1.00 0.00 O ATOM 905 CG2 THR A 57 11.235 -11.080 -12.881 1.00 0.00 C ATOM 0 H THR A 57 9.042 -10.428 -11.476 1.00 0.00 H new ATOM 0 HA THR A 57 10.432 -12.386 -9.784 1.00 0.00 H new ATOM 0 HB THR A 57 10.196 -12.833 -12.245 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.474 -13.315 -12.519 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.570 -11.523 -13.819 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.314 -10.522 -13.052 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.003 -10.405 -12.504 1.00 0.00 H new ATOM 913 N THR A 58 11.269 -9.290 -10.375 1.00 0.00 N ATOM 914 CA THR A 58 12.162 -8.207 -9.983 1.00 0.00 C ATOM 915 C THR A 58 12.654 -8.391 -8.552 1.00 0.00 C ATOM 916 O THR A 58 12.013 -9.045 -7.729 1.00 0.00 O ATOM 917 CB THR A 58 11.470 -6.836 -10.103 1.00 0.00 C ATOM 918 OG1 THR A 58 10.165 -6.894 -9.515 1.00 0.00 O ATOM 919 CG2 THR A 58 11.357 -6.412 -11.559 1.00 0.00 C ATOM 0 H THR A 58 10.454 -8.991 -10.911 1.00 0.00 H new ATOM 0 HA THR A 58 13.013 -8.237 -10.664 1.00 0.00 H new ATOM 0 HB THR A 58 12.075 -6.100 -9.573 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.517 -6.467 -10.114 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.865 -5.441 -11.618 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.353 -6.341 -11.996 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.772 -7.149 -12.108 1.00 0.00 H new ATOM 927 N PRO A 59 13.820 -7.802 -8.246 1.00 0.00 N ATOM 928 CA PRO A 59 14.423 -7.886 -6.912 1.00 0.00 C ATOM 929 C PRO A 59 13.638 -7.098 -5.870 1.00 0.00 C ATOM 930 O PRO A 59 12.517 -6.659 -6.124 1.00 0.00 O ATOM 931 CB PRO A 59 15.812 -7.274 -7.112 1.00 0.00 C ATOM 932 CG PRO A 59 15.660 -6.364 -8.281 1.00 0.00 C ATOM 933 CD PRO A 59 14.638 -7.008 -9.177 1.00 0.00 C ATOM 0 HA PRO A 59 14.443 -8.909 -6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.136 -6.729 -6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.560 -8.043 -7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.333 -5.374 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.609 -6.235 -8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 59 14.040 -6.264 -9.704 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.107 -7.635 -9.935 1.00 0.00 H new ATOM 941 N SER A 60 14.235 -6.921 -4.695 1.00 0.00 N ATOM 942 CA SER A 60 13.590 -6.187 -3.613 1.00 0.00 C ATOM 943 C SER A 60 12.495 -7.029 -2.964 1.00 0.00 C ATOM 944 O SER A 60 11.553 -6.495 -2.379 1.00 0.00 O ATOM 945 CB SER A 60 12.998 -4.877 -4.137 1.00 0.00 C ATOM 946 OG SER A 60 13.054 -3.861 -3.151 1.00 0.00 O ATOM 0 H SER A 60 15.164 -7.276 -4.469 1.00 0.00 H new ATOM 0 HA SER A 60 14.345 -5.960 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.544 -4.557 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.963 -5.037 -4.440 1.00 0.00 H new ATOM 0 HG SER A 60 12.409 -3.156 -3.371 1.00 0.00 H new ATOM 952 N GLU A 61 12.627 -8.347 -3.072 1.00 0.00 N ATOM 953 CA GLU A 61 11.649 -9.262 -2.497 1.00 0.00 C ATOM 954 C GLU A 61 11.725 -9.252 -0.973 1.00 0.00 C ATOM 955 O GLU A 61 10.702 -9.220 -0.290 1.00 0.00 O ATOM 956 CB GLU A 61 11.876 -10.682 -3.020 1.00 0.00 C ATOM 957 CG GLU A 61 11.303 -10.918 -4.408 1.00 0.00 C ATOM 958 CD GLU A 61 12.005 -12.041 -5.145 1.00 0.00 C ATOM 959 OE1 GLU A 61 12.063 -13.164 -4.602 1.00 0.00 O ATOM 960 OE2 GLU A 61 12.497 -11.797 -6.267 1.00 0.00 O ATOM 0 H GLU A 61 13.402 -8.805 -3.552 1.00 0.00 H new ATOM 0 HA GLU A 61 10.656 -8.927 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.946 -10.887 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.428 -11.392 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.242 -11.151 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.383 -10.000 -4.991 1.00 0.00 H new ATOM 967 N GLU A 62 12.946 -9.281 -0.447 1.00 0.00 N ATOM 968 CA GLU A 62 13.156 -9.277 0.996 1.00 0.00 C ATOM 969 C GLU A 62 12.148 -8.364 1.690 1.00 0.00 C ATOM 970 O GLU A 62 11.741 -8.620 2.822 1.00 0.00 O ATOM 971 CB GLU A 62 14.580 -8.825 1.326 1.00 0.00 C ATOM 972 CG GLU A 62 14.914 -7.437 0.807 1.00 0.00 C ATOM 973 CD GLU A 62 15.528 -7.465 -0.579 1.00 0.00 C ATOM 974 OE1 GLU A 62 15.857 -8.569 -1.062 1.00 0.00 O ATOM 975 OE2 GLU A 62 15.680 -6.381 -1.182 1.00 0.00 O ATOM 0 H GLU A 62 13.804 -9.307 -0.998 1.00 0.00 H new ATOM 0 HA GLU A 62 13.012 -10.294 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.716 -8.842 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.286 -9.541 0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.007 -6.833 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.605 -6.952 1.497 1.00 0.00 H new ATOM 982 N GLU A 63 11.752 -7.298 1.001 1.00 0.00 N ATOM 983 CA GLU A 63 10.793 -6.347 1.551 1.00 0.00 C ATOM 984 C GLU A 63 9.536 -7.061 2.037 1.00 0.00 C ATOM 985 O GLU A 63 8.650 -7.386 1.247 1.00 0.00 O ATOM 986 CB GLU A 63 10.423 -5.297 0.501 1.00 0.00 C ATOM 987 CG GLU A 63 11.324 -4.074 0.520 1.00 0.00 C ATOM 988 CD GLU A 63 12.520 -4.216 -0.402 1.00 0.00 C ATOM 989 OE1 GLU A 63 12.890 -5.366 -0.719 1.00 0.00 O ATOM 990 OE2 GLU A 63 13.086 -3.179 -0.805 1.00 0.00 O ATOM 0 H GLU A 63 12.080 -7.072 0.062 1.00 0.00 H new ATOM 0 HA GLU A 63 11.260 -5.851 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.465 -5.754 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.392 -4.981 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.746 -3.197 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.673 -3.900 1.538 1.00 0.00 H new ATOM 997 N GLN A 64 9.467 -7.303 3.342 1.00 0.00 N ATOM 998 CA GLN A 64 8.319 -7.980 3.934 1.00 0.00 C ATOM 999 C GLN A 64 7.030 -7.214 3.653 1.00 0.00 C ATOM 1000 O GLN A 64 7.019 -5.987 3.551 1.00 0.00 O ATOM 1001 CB GLN A 64 8.514 -8.137 5.443 1.00 0.00 C ATOM 1002 CG GLN A 64 8.069 -6.923 6.243 1.00 0.00 C ATOM 1003 CD GLN A 64 8.016 -7.194 7.734 1.00 0.00 C ATOM 1004 OE1 GLN A 64 9.028 -7.523 8.353 1.00 0.00 O ATOM 1005 NE2 GLN A 64 6.831 -7.057 8.319 1.00 0.00 N ATOM 0 H GLN A 64 10.192 -7.040 4.009 1.00 0.00 H new ATOM 0 HA GLN A 64 8.239 -8.968 3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.958 -9.010 5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.567 -8.330 5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.753 -6.096 6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.084 -6.608 5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.018 -6.782 7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.734 -7.226 9.320 1.00 0.00 H new ATOM 1014 N PRO A 65 5.918 -7.952 3.523 1.00 0.00 N ATOM 1015 CA PRO A 65 4.604 -7.363 3.252 1.00 0.00 C ATOM 1016 C PRO A 65 4.062 -6.580 4.443 1.00 0.00 C ATOM 1017 O PRO A 65 4.391 -6.875 5.592 1.00 0.00 O ATOM 1018 CB PRO A 65 3.721 -8.580 2.966 1.00 0.00 C ATOM 1019 CG PRO A 65 4.383 -9.705 3.686 1.00 0.00 C ATOM 1020 CD PRO A 65 5.858 -9.419 3.632 1.00 0.00 C ATOM 0 HA PRO A 65 4.641 -6.645 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.704 -8.424 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.655 -8.779 1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.035 -9.767 4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.153 -10.660 3.214 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.369 -9.777 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.330 -9.905 2.778 1.00 0.00 H new ATOM 1028 N ILE A 66 3.232 -5.581 4.161 1.00 0.00 N ATOM 1029 CA ILE A 66 2.645 -4.757 5.210 1.00 0.00 C ATOM 1030 C ILE A 66 1.273 -5.283 5.618 1.00 0.00 C ATOM 1031 O ILE A 66 0.267 -4.990 4.971 1.00 0.00 O ATOM 1032 CB ILE A 66 2.508 -3.290 4.763 1.00 0.00 C ATOM 1033 CG1 ILE A 66 3.871 -2.731 4.348 1.00 0.00 C ATOM 1034 CG2 ILE A 66 1.903 -2.451 5.879 1.00 0.00 C ATOM 1035 CD1 ILE A 66 3.779 -1.473 3.514 1.00 0.00 C ATOM 0 H ILE A 66 2.951 -5.323 3.215 1.00 0.00 H new ATOM 0 HA ILE A 66 3.319 -4.806 6.065 1.00 0.00 H new ATOM 0 HB ILE A 66 1.842 -3.249 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.457 -2.522 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.411 -3.492 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.812 -1.416 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.916 -2.839 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.546 -2.496 6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.782 -1.133 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.221 -1.682 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.268 -0.696 4.082 1.00 0.00 H new ATOM 1047 N SER A 67 1.239 -6.059 6.697 1.00 0.00 N ATOM 1048 CA SER A 67 -0.010 -6.627 7.191 1.00 0.00 C ATOM 1049 C SER A 67 -1.066 -5.541 7.373 1.00 0.00 C ATOM 1050 O SER A 67 -0.982 -4.726 8.292 1.00 0.00 O ATOM 1051 CB SER A 67 0.226 -7.354 8.516 1.00 0.00 C ATOM 1052 OG SER A 67 0.703 -8.670 8.298 1.00 0.00 O ATOM 0 H SER A 67 2.062 -6.309 7.246 1.00 0.00 H new ATOM 0 HA SER A 67 -0.374 -7.342 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.946 -6.798 9.116 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.703 -7.390 9.085 1.00 0.00 H new ATOM 0 HG SER A 67 0.847 -9.113 9.160 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.060 -5.537 6.491 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.134 -4.553 6.554 1.00 0.00 C ATOM 1060 C VAL A 68 -4.394 -5.154 7.166 1.00 0.00 C ATOM 1061 O VAL A 68 -5.506 -4.708 6.885 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.469 -3.998 5.157 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.245 -3.344 4.534 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.008 -5.102 4.260 1.00 0.00 C ATOM 0 H VAL A 68 -2.144 -6.204 5.724 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.780 -3.738 7.185 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.243 -3.238 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.501 -2.958 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.908 -2.524 5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.447 -4.081 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.239 -4.692 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.258 -5.887 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.913 -5.520 4.701 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.212 -6.169 8.004 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.336 -6.832 8.657 1.00 0.00 C ATOM 1076 C ASN A 69 -6.065 -5.872 9.592 1.00 0.00 C ATOM 1077 O ASN A 69 -7.288 -5.921 9.717 1.00 0.00 O ATOM 1078 CB ASN A 69 -4.849 -8.053 9.440 1.00 0.00 C ATOM 1079 CG ASN A 69 -5.994 -8.918 9.931 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.678 -8.458 10.973 1.00 0.00 O flip ATOM 1081 ND2 ASN A 69 -6.260 -9.987 9.381 1.00 0.00 N flip ATOM 0 H ASN A 69 -3.298 -6.551 8.247 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.033 -7.158 7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.192 -8.649 8.807 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.256 -7.722 10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.708 -10.301 8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.033 -10.558 9.723 1.00 0.00 H new ATOM 1088 N ALA A 70 -5.305 -5.000 10.247 1.00 0.00 N ATOM 1089 CA ALA A 70 -5.878 -4.028 11.169 1.00 0.00 C ATOM 1090 C ALA A 70 -5.312 -2.634 10.919 1.00 0.00 C ATOM 1091 O ALA A 70 -4.943 -1.926 11.856 1.00 0.00 O ATOM 1092 CB ALA A 70 -5.626 -4.452 12.608 1.00 0.00 C ATOM 0 H ALA A 70 -4.290 -4.947 10.156 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.954 -3.991 10.996 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.060 -3.716 13.285 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.085 -5.424 12.786 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.553 -4.519 12.785 1.00 0.00 H new ATOM 1098 N CYS A 71 -5.245 -2.247 9.650 1.00 0.00 N ATOM 1099 CA CYS A 71 -4.722 -0.937 9.276 1.00 0.00 C ATOM 1100 C CYS A 71 -5.842 0.095 9.204 1.00 0.00 C ATOM 1101 O CYS A 71 -7.018 -0.237 9.356 1.00 0.00 O ATOM 1102 CB CYS A 71 -3.999 -1.019 7.931 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.104 -1.143 6.506 1.00 0.00 S ATOM 0 H CYS A 71 -5.546 -2.821 8.863 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.013 -0.623 10.042 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.370 -0.136 7.814 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.336 -1.884 7.939 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.419 -0.992 5.411 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.469 1.349 8.973 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.442 2.432 8.882 1.00 0.00 C ATOM 1111 C LEU A 72 -6.124 3.353 7.709 1.00 0.00 C ATOM 1112 O LEU A 72 -5.101 4.039 7.705 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.465 3.235 10.184 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.688 2.430 11.465 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -6.259 3.234 12.682 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -8.146 2.013 11.585 1.00 0.00 C ATOM 0 H LEU A 72 -4.500 1.641 8.845 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.425 1.991 8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.519 3.770 10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.250 3.987 10.110 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.076 1.529 11.417 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.425 2.645 13.584 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.201 3.482 12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.843 4.153 12.736 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.287 1.441 12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.777 2.901 11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.420 1.398 10.728 1.00 0.00 H new ATOM 1128 N ILE A 73 -7.007 3.366 6.716 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.821 4.206 5.539 1.00 0.00 C ATOM 1130 C ILE A 73 -7.611 5.504 5.660 1.00 0.00 C ATOM 1131 O ILE A 73 -8.734 5.515 6.165 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.249 3.475 4.253 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.340 2.270 3.998 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.219 4.428 3.067 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -6.975 1.208 3.129 1.00 0.00 C ATOM 0 H ILE A 73 -7.858 2.804 6.703 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.757 4.436 5.480 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.270 3.116 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.420 2.613 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.061 1.827 4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.524 3.897 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.903 5.257 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.208 4.814 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.274 0.385 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.880 0.837 3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.229 1.636 2.159 1.00 0.00 H new ATOM 1147 N ASP A 74 -7.018 6.597 5.192 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.668 7.901 5.244 1.00 0.00 C ATOM 1149 C ASP A 74 -7.077 8.845 4.202 1.00 0.00 C ATOM 1150 O ASP A 74 -5.866 9.070 4.169 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.526 8.510 6.640 1.00 0.00 C ATOM 1152 CG ASP A 74 -8.237 7.694 7.702 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.476 7.567 7.621 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.554 7.184 8.615 1.00 0.00 O ATOM 0 H ASP A 74 -6.088 6.606 4.772 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.726 7.761 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.469 8.588 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.928 9.523 6.634 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.938 9.394 3.352 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.500 10.313 2.309 1.00 0.00 C ATOM 1161 C ILE A 75 -6.475 11.306 2.846 1.00 0.00 C ATOM 1162 O ILE A 75 -6.832 12.309 3.463 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.687 11.091 1.709 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.700 10.123 1.093 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -8.196 12.086 0.669 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.964 10.799 0.611 1.00 0.00 C ATOM 0 H ILE A 75 -8.943 9.218 3.365 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.041 9.708 1.528 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.181 11.644 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.233 9.605 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.962 9.365 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.046 12.628 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.509 12.791 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.681 11.553 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.636 10.053 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.454 11.294 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.714 11.538 -0.151 1.00 0.00 H new ATOM 1178 N SER A 76 -5.200 11.021 2.604 1.00 0.00 N ATOM 1179 CA SER A 76 -4.122 11.888 3.065 1.00 0.00 C ATOM 1180 C SER A 76 -4.461 13.355 2.816 1.00 0.00 C ATOM 1181 O SER A 76 -5.103 13.695 1.822 1.00 0.00 O ATOM 1182 CB SER A 76 -2.813 11.529 2.360 1.00 0.00 C ATOM 1183 OG SER A 76 -1.744 12.334 2.827 1.00 0.00 O ATOM 0 H SER A 76 -4.888 10.196 2.091 1.00 0.00 H new ATOM 0 HA SER A 76 -4.002 11.737 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.581 10.477 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.928 11.660 1.284 1.00 0.00 H new ATOM 0 HG SER A 76 -1.945 13.277 2.653 1.00 0.00 H new ATOM 1189 N TYR A 77 -4.024 14.219 3.726 1.00 0.00 N ATOM 1190 CA TYR A 77 -4.282 15.649 3.608 1.00 0.00 C ATOM 1191 C TYR A 77 -4.317 16.077 2.144 1.00 0.00 C ATOM 1192 O TYR A 77 -3.514 15.617 1.332 1.00 0.00 O ATOM 1193 CB TYR A 77 -3.214 16.445 4.359 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.808 16.186 3.866 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -1.158 14.992 4.156 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.128 17.134 3.112 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.126 14.751 3.709 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.156 16.901 2.659 1.00 0.00 C ATOM 1199 CZ TYR A 77 0.779 15.708 2.960 1.00 0.00 C ATOM 1200 OH TYR A 77 2.059 15.473 2.513 1.00 0.00 O ATOM 0 H TYR A 77 -3.490 13.954 4.553 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.256 15.855 4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.433 17.509 4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.269 16.200 5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.666 14.240 4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.612 18.070 2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.617 13.818 3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.669 17.649 2.072 1.00 0.00 H new ATOM 0 HH TYR A 77 2.185 14.511 2.373 1.00 0.00 H new ATOM 1210 N SER A 78 -5.253 16.962 1.815 1.00 0.00 N ATOM 1211 CA SER A 78 -5.395 17.451 0.449 1.00 0.00 C ATOM 1212 C SER A 78 -4.569 18.716 0.235 1.00 0.00 C ATOM 1213 O SER A 78 -5.099 19.759 -0.144 1.00 0.00 O ATOM 1214 CB SER A 78 -6.867 17.731 0.136 1.00 0.00 C ATOM 1215 OG SER A 78 -7.142 17.535 -1.240 1.00 0.00 O ATOM 0 H SER A 78 -5.924 17.355 2.476 1.00 0.00 H new ATOM 0 HA SER A 78 -5.027 16.679 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.500 17.075 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.113 18.755 0.417 1.00 0.00 H new ATOM 0 HG SER A 78 -8.089 17.719 -1.414 1.00 0.00 H new ATOM 1221 N GLU A 79 -3.267 18.613 0.483 1.00 0.00 N ATOM 1222 CA GLU A 79 -2.367 19.749 0.319 1.00 0.00 C ATOM 1223 C GLU A 79 -1.108 19.340 -0.441 1.00 0.00 C ATOM 1224 O GLU A 79 -0.561 20.118 -1.224 1.00 0.00 O ATOM 1225 CB GLU A 79 -1.987 20.328 1.683 1.00 0.00 C ATOM 1226 CG GLU A 79 -1.704 21.820 1.654 1.00 0.00 C ATOM 1227 CD GLU A 79 -2.787 22.605 0.940 1.00 0.00 C ATOM 1228 OE1 GLU A 79 -3.978 22.386 1.247 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -2.445 23.438 0.075 1.00 0.00 O ATOM 0 H GLU A 79 -2.812 17.756 0.798 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.888 20.512 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.795 20.134 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.106 19.807 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.607 22.188 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.748 21.995 1.160 1.00 0.00 H new ATOM 1236 N THR A 80 -0.653 18.113 -0.205 1.00 0.00 N ATOM 1237 CA THR A 80 0.541 17.601 -0.864 1.00 0.00 C ATOM 1238 C THR A 80 0.402 17.666 -2.381 1.00 0.00 C ATOM 1239 O THR A 80 -0.537 17.111 -2.953 1.00 0.00 O ATOM 1240 CB THR A 80 0.832 16.147 -0.448 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.004 15.670 -1.120 1.00 0.00 O ATOM 1242 CG2 THR A 80 -0.348 15.244 -0.774 1.00 0.00 C ATOM 0 H THR A 80 -1.094 17.456 0.438 1.00 0.00 H new ATOM 0 HA THR A 80 1.371 18.234 -0.551 1.00 0.00 H new ATOM 0 HB THR A 80 0.998 16.127 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.183 14.745 -0.849 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.119 14.222 -0.471 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.231 15.592 -0.238 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.541 15.270 -1.847 1.00 0.00 H new ATOM 1250 N LYS A 81 1.342 18.346 -3.028 1.00 0.00 N ATOM 1251 CA LYS A 81 1.327 18.481 -4.480 1.00 0.00 C ATOM 1252 C LYS A 81 0.746 17.233 -5.137 1.00 0.00 C ATOM 1253 O LYS A 81 -0.025 17.325 -6.092 1.00 0.00 O ATOM 1254 CB LYS A 81 2.742 18.736 -5.004 1.00 0.00 C ATOM 1255 CG LYS A 81 3.229 20.156 -4.775 1.00 0.00 C ATOM 1256 CD LYS A 81 4.744 20.217 -4.679 1.00 0.00 C ATOM 1257 CE LYS A 81 5.394 20.139 -6.052 1.00 0.00 C ATOM 1258 NZ LYS A 81 5.491 21.478 -6.696 1.00 0.00 N ATOM 0 H LYS A 81 2.125 18.813 -2.570 1.00 0.00 H new ATOM 0 HA LYS A 81 0.694 19.331 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.430 18.043 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.769 18.519 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.889 20.794 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.789 20.549 -3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.041 21.143 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.103 19.396 -4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.391 19.708 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.816 19.470 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.939 21.383 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.538 21.879 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.064 22.109 -6.100 1.00 0.00 H new ATOM 1272 N ARG A 82 1.122 16.069 -4.619 1.00 0.00 N ATOM 1273 CA ARG A 82 0.638 14.802 -5.155 1.00 0.00 C ATOM 1274 C ARG A 82 -0.866 14.858 -5.410 1.00 0.00 C ATOM 1275 O ARG A 82 -1.538 15.811 -5.014 1.00 0.00 O ATOM 1276 CB ARG A 82 0.961 13.659 -4.192 1.00 0.00 C ATOM 1277 CG ARG A 82 2.425 13.598 -3.788 1.00 0.00 C ATOM 1278 CD ARG A 82 3.331 13.445 -4.999 1.00 0.00 C ATOM 1279 NE ARG A 82 3.441 14.686 -5.761 1.00 0.00 N ATOM 1280 CZ ARG A 82 4.082 14.783 -6.920 1.00 0.00 C ATOM 1281 NH1 ARG A 82 4.667 13.717 -7.449 1.00 0.00 N ATOM 1282 NH2 ARG A 82 4.139 15.947 -7.553 1.00 0.00 N ATOM 0 H ARG A 82 1.760 15.976 -3.829 1.00 0.00 H new ATOM 0 HA ARG A 82 1.143 14.621 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.350 13.767 -3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.681 12.714 -4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.692 14.505 -3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.581 12.761 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.322 13.131 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.943 12.657 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 82 3.001 15.525 -5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.625 12.820 -6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.159 13.794 -8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.690 16.769 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.632 16.020 -8.443 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.387 13.832 -6.073 1.00 0.00 N ATOM 1297 CA LYS A 83 -2.811 13.763 -6.380 1.00 0.00 C ATOM 1298 C LYS A 83 -3.353 12.359 -6.132 1.00 0.00 C ATOM 1299 O LYS A 83 -2.649 11.369 -6.325 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.060 14.168 -7.835 1.00 0.00 C ATOM 1301 CG LYS A 83 -2.305 13.317 -8.841 1.00 0.00 C ATOM 1302 CD LYS A 83 -2.023 14.086 -10.121 1.00 0.00 C ATOM 1303 CE LYS A 83 -1.688 13.149 -11.271 1.00 0.00 C ATOM 1304 NZ LYS A 83 -0.966 13.852 -12.367 1.00 0.00 N ATOM 0 H LYS A 83 -0.844 13.036 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.334 14.457 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.128 14.101 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.774 15.211 -7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.365 12.981 -8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.886 12.424 -9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.892 14.690 -10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.194 14.775 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.076 12.326 -10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.607 12.712 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.756 13.179 -13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.560 14.621 -12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.077 14.247 -11.999 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.609 12.282 -5.705 1.00 0.00 N ATOM 1319 CA ASN A 84 -5.246 10.998 -5.431 1.00 0.00 C ATOM 1320 C ASN A 84 -4.357 10.127 -4.550 1.00 0.00 C ATOM 1321 O ASN A 84 -4.036 8.992 -4.903 1.00 0.00 O ATOM 1322 CB ASN A 84 -5.556 10.270 -6.741 1.00 0.00 C ATOM 1323 CG ASN A 84 -6.166 11.188 -7.783 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -7.274 11.694 -7.607 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -5.443 11.406 -8.875 1.00 0.00 N ATOM 0 H ASN A 84 -5.206 13.093 -5.541 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.178 11.189 -4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.639 9.834 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.241 9.445 -6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.801 12.015 -9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.529 10.965 -8.978 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.963 10.665 -3.400 1.00 0.00 N ATOM 1333 CA VAL A 85 -3.113 9.937 -2.466 1.00 0.00 C ATOM 1334 C VAL A 85 -3.855 9.631 -1.170 1.00 0.00 C ATOM 1335 O VAL A 85 -4.443 10.521 -0.554 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.833 10.728 -2.138 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -0.985 9.975 -1.124 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -1.041 11.009 -3.405 1.00 0.00 C ATOM 0 H VAL A 85 -4.219 11.603 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.838 9.001 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.120 11.683 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.085 10.549 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.556 9.831 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.705 9.004 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.140 11.569 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.763 10.067 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.651 11.594 -4.093 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.824 8.367 -0.761 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.495 7.944 0.463 1.00 0.00 C ATOM 1350 C PHE A 86 -3.481 7.501 1.513 1.00 0.00 C ATOM 1351 O PHE A 86 -2.515 6.802 1.204 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.470 6.803 0.166 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.918 5.772 -0.776 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.680 6.085 -2.105 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.638 4.489 -0.334 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -4.171 5.139 -2.975 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -4.129 3.539 -1.199 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.897 3.864 -2.521 1.00 0.00 C ATOM 0 H PHE A 86 -3.342 7.618 -1.259 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.051 8.795 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.745 6.318 1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.384 7.218 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.895 7.080 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.820 4.228 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.988 5.397 -4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.913 2.543 -0.841 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.502 3.122 -3.199 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.708 7.912 2.757 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.814 7.560 3.853 1.00 0.00 C ATOM 1370 C ARG A 87 -3.228 6.236 4.489 1.00 0.00 C ATOM 1371 O ARG A 87 -4.395 6.038 4.832 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.808 8.666 4.910 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.634 8.582 5.872 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.654 9.725 6.875 1.00 0.00 C ATOM 1375 NE ARG A 87 -2.517 9.437 8.017 1.00 0.00 N ATOM 1376 CZ ARG A 87 -2.444 10.084 9.175 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.552 11.051 9.343 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -3.264 9.764 10.168 1.00 0.00 N ATOM 0 H ARG A 87 -4.503 8.489 3.030 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.809 7.449 3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.789 9.635 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.737 8.619 5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.664 7.630 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.700 8.605 5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.640 9.917 7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.997 10.634 6.381 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.214 8.699 7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.920 11.300 8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.498 11.546 10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.951 9.021 10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.207 10.261 11.057 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.267 5.332 4.642 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.532 4.026 5.236 1.00 0.00 C ATOM 1394 C LEU A 88 -1.618 3.777 6.432 1.00 0.00 C ATOM 1395 O LEU A 88 -0.404 3.970 6.351 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.341 2.922 4.195 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.256 1.495 4.737 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -2.817 0.506 3.727 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.818 1.143 5.089 1.00 0.00 C ATOM 0 H LEU A 88 -1.297 5.479 4.363 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.565 4.015 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.168 2.971 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.429 3.132 3.636 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.856 1.435 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.748 -0.504 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.861 0.745 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.245 0.567 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.776 0.124 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.196 1.220 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.450 1.832 5.849 1.00 0.00 H new ATOM 1411 N THR A 89 -2.208 3.343 7.541 1.00 0.00 N ATOM 1412 CA THR A 89 -1.448 3.066 8.753 1.00 0.00 C ATOM 1413 C THR A 89 -1.658 1.629 9.217 1.00 0.00 C ATOM 1414 O THR A 89 -2.789 1.199 9.450 1.00 0.00 O ATOM 1415 CB THR A 89 -1.840 4.024 9.894 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.535 5.374 9.525 1.00 0.00 O ATOM 1417 CG2 THR A 89 -1.106 3.666 11.177 1.00 0.00 C ATOM 0 H THR A 89 -3.211 3.176 7.625 1.00 0.00 H new ATOM 0 HA THR A 89 -0.397 3.216 8.508 1.00 0.00 H new ATOM 0 HB THR A 89 -2.912 3.928 10.068 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.788 5.978 10.254 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.399 4.356 11.968 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.362 2.648 11.470 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.031 3.737 11.013 1.00 0.00 H new ATOM 1425 N THR A 90 -0.562 0.889 9.351 1.00 0.00 N ATOM 1426 CA THR A 90 -0.627 -0.501 9.787 1.00 0.00 C ATOM 1427 C THR A 90 0.041 -0.682 11.145 1.00 0.00 C ATOM 1428 O THR A 90 1.090 -0.097 11.415 1.00 0.00 O ATOM 1429 CB THR A 90 0.044 -1.441 8.768 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.468 -1.324 8.856 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.410 -1.117 7.353 1.00 0.00 C ATOM 0 H THR A 90 0.381 1.229 9.164 1.00 0.00 H new ATOM 0 HA THR A 90 -1.683 -0.759 9.867 1.00 0.00 H new ATOM 0 HB THR A 90 -0.251 -2.464 9.002 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.716 -0.377 8.904 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.077 -1.794 6.651 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.491 -1.236 7.281 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.142 -0.089 7.111 1.00 0.00 H new ATOM 1439 N SER A 91 -0.572 -1.498 11.997 1.00 0.00 N ATOM 1440 CA SER A 91 -0.038 -1.754 13.329 1.00 0.00 C ATOM 1441 C SER A 91 1.483 -1.873 13.291 1.00 0.00 C ATOM 1442 O SER A 91 2.162 -1.609 14.283 1.00 0.00 O ATOM 1443 CB SER A 91 -0.647 -3.032 13.909 1.00 0.00 C ATOM 1444 OG SER A 91 -0.009 -3.397 15.120 1.00 0.00 O ATOM 0 H SER A 91 -1.439 -1.993 11.788 1.00 0.00 H new ATOM 0 HA SER A 91 -0.303 -0.912 13.968 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.712 -2.883 14.086 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.554 -3.843 13.187 1.00 0.00 H new ATOM 0 HG SER A 91 -0.417 -4.216 15.471 1.00 0.00 H new ATOM 1450 N ASP A 92 2.009 -2.273 12.139 1.00 0.00 N ATOM 1451 CA ASP A 92 3.449 -2.427 11.969 1.00 0.00 C ATOM 1452 C ASP A 92 4.127 -1.069 11.814 1.00 0.00 C ATOM 1453 O ASP A 92 4.850 -0.620 12.704 1.00 0.00 O ATOM 1454 CB ASP A 92 3.750 -3.303 10.752 1.00 0.00 C ATOM 1455 CG ASP A 92 5.098 -3.990 10.852 1.00 0.00 C ATOM 1456 OD1 ASP A 92 6.112 -3.284 11.028 1.00 0.00 O ATOM 1457 OD2 ASP A 92 5.138 -5.235 10.753 1.00 0.00 O ATOM 0 H ASP A 92 1.460 -2.497 11.309 1.00 0.00 H new ATOM 0 HA ASP A 92 3.845 -2.911 12.862 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.969 -4.056 10.648 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.724 -2.690 9.851 1.00 0.00 H new ATOM 1462 N CYS A 93 3.889 -0.421 10.679 1.00 0.00 N ATOM 1463 CA CYS A 93 4.477 0.885 10.407 1.00 0.00 C ATOM 1464 C CYS A 93 3.538 1.739 9.560 1.00 0.00 C ATOM 1465 O CYS A 93 2.474 1.281 9.145 1.00 0.00 O ATOM 1466 CB CYS A 93 5.821 0.724 9.695 1.00 0.00 C ATOM 1467 SG CYS A 93 7.087 -0.104 10.686 1.00 0.00 S ATOM 0 H CYS A 93 3.293 -0.779 9.933 1.00 0.00 H new ATOM 0 HA CYS A 93 4.637 1.389 11.360 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.668 0.159 8.776 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.187 1.709 9.406 1.00 0.00 H new ATOM 0 HG CYS A 93 6.587 -0.437 11.839 1.00 0.00 H new ATOM 1473 N GLU A 94 3.940 2.981 9.310 1.00 0.00 N ATOM 1474 CA GLU A 94 3.133 3.898 8.514 1.00 0.00 C ATOM 1475 C GLU A 94 3.728 4.078 7.120 1.00 0.00 C ATOM 1476 O GLU A 94 4.925 3.874 6.914 1.00 0.00 O ATOM 1477 CB GLU A 94 3.025 5.255 9.213 1.00 0.00 C ATOM 1478 CG GLU A 94 1.799 5.386 10.102 1.00 0.00 C ATOM 1479 CD GLU A 94 2.025 6.324 11.272 1.00 0.00 C ATOM 1480 OE1 GLU A 94 2.187 7.539 11.036 1.00 0.00 O ATOM 1481 OE2 GLU A 94 2.038 5.842 12.424 1.00 0.00 O ATOM 0 H GLU A 94 4.819 3.375 9.647 1.00 0.00 H new ATOM 0 HA GLU A 94 2.136 3.469 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.919 5.416 9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.002 6.042 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.960 5.748 9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.521 4.402 10.479 1.00 0.00 H new ATOM 1488 N CYS A 95 2.884 4.460 6.169 1.00 0.00 N ATOM 1489 CA CYS A 95 3.325 4.667 4.794 1.00 0.00 C ATOM 1490 C CYS A 95 2.252 5.383 3.980 1.00 0.00 C ATOM 1491 O CYS A 95 1.134 5.592 4.454 1.00 0.00 O ATOM 1492 CB CYS A 95 3.668 3.327 4.140 1.00 0.00 C ATOM 1493 SG CYS A 95 2.307 2.138 4.135 1.00 0.00 S ATOM 0 H CYS A 95 1.891 4.633 6.324 1.00 0.00 H new ATOM 0 HA CYS A 95 4.217 5.293 4.815 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.983 3.507 3.112 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.518 2.887 4.662 1.00 0.00 H new ATOM 0 HG CYS A 95 1.766 2.102 2.953 1.00 0.00 H new ATOM 1499 N LEU A 96 2.599 5.758 2.754 1.00 0.00 N ATOM 1500 CA LEU A 96 1.665 6.453 1.874 1.00 0.00 C ATOM 1501 C LEU A 96 1.504 5.708 0.553 1.00 0.00 C ATOM 1502 O LEU A 96 2.291 4.818 0.231 1.00 0.00 O ATOM 1503 CB LEU A 96 2.148 7.881 1.611 1.00 0.00 C ATOM 1504 CG LEU A 96 1.669 8.944 2.599 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.616 10.134 2.605 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.254 9.389 2.260 1.00 0.00 C ATOM 0 H LEU A 96 3.519 5.593 2.346 1.00 0.00 H new ATOM 0 HA LEU A 96 0.695 6.489 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.238 7.880 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.828 8.173 0.611 1.00 0.00 H new ATOM 0 HG LEU A 96 1.662 8.506 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.258 10.880 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.613 9.804 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.656 10.572 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.070 10.146 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.235 9.808 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.418 8.532 2.309 1.00 0.00 H new ATOM 1518 N PHE A 97 0.480 6.078 -0.208 1.00 0.00 N ATOM 1519 CA PHE A 97 0.216 5.445 -1.495 1.00 0.00 C ATOM 1520 C PHE A 97 -0.459 6.422 -2.454 1.00 0.00 C ATOM 1521 O PHE A 97 -1.500 6.997 -2.138 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.664 4.207 -1.308 1.00 0.00 C ATOM 1523 CG PHE A 97 0.059 3.046 -0.687 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.972 2.308 -1.423 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.174 2.693 0.632 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.639 1.239 -0.855 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.491 1.626 1.206 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.398 0.897 0.461 1.00 0.00 C ATOM 0 H PHE A 97 -0.181 6.813 0.044 1.00 0.00 H new ATOM 0 HA PHE A 97 1.171 5.142 -1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.518 4.469 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.059 3.902 -2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.165 2.571 -2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.883 3.258 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.348 0.672 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.302 1.362 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.917 0.062 0.907 1.00 0.00 H new ATOM 1538 N GLN A 98 0.143 6.604 -3.624 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.399 7.512 -4.628 1.00 0.00 C ATOM 1540 C GLN A 98 -1.106 6.739 -5.737 1.00 0.00 C ATOM 1541 O GLN A 98 -0.780 5.584 -6.006 1.00 0.00 O ATOM 1542 CB GLN A 98 0.717 8.373 -5.223 1.00 0.00 C ATOM 1543 CG GLN A 98 0.248 9.291 -6.341 1.00 0.00 C ATOM 1544 CD GLN A 98 1.397 9.873 -7.139 1.00 0.00 C ATOM 1545 OE1 GLN A 98 1.857 11.054 -6.741 1.00 0.00 O flip ATOM 1546 NE2 GLN A 98 1.867 9.269 -8.103 1.00 0.00 N flip ATOM 0 H GLN A 98 1.006 6.135 -3.900 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.128 8.159 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.160 8.976 -4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.503 7.721 -5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.409 8.736 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.342 10.103 -5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.483 8.364 -8.374 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.640 9.674 -8.631 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.075 7.385 -6.376 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.827 6.759 -7.456 1.00 0.00 C ATOM 1557 C ALA A 99 -2.771 7.602 -8.726 1.00 0.00 C ATOM 1558 O ALA A 99 -2.112 8.640 -8.762 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.272 6.535 -7.033 1.00 0.00 C ATOM 0 H ALA A 99 -2.358 8.342 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.369 5.794 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.822 6.067 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.298 5.885 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.732 7.492 -6.788 1.00 0.00 H new ATOM 1565 N GLU A 100 -3.465 7.147 -9.764 1.00 0.00 N ATOM 1566 CA GLU A 100 -3.490 7.860 -11.036 1.00 0.00 C ATOM 1567 C GLU A 100 -4.828 8.567 -11.236 1.00 0.00 C ATOM 1568 O GLU A 100 -4.885 9.793 -11.339 1.00 0.00 O ATOM 1569 CB GLU A 100 -3.234 6.893 -12.194 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.459 7.513 -13.344 1.00 0.00 C ATOM 1571 CD GLU A 100 -3.364 8.146 -14.383 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -4.534 7.723 -14.488 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -2.901 9.065 -15.092 1.00 0.00 O ATOM 0 H GLU A 100 -4.017 6.289 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.700 8.611 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.684 6.029 -11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.190 6.525 -12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.778 8.268 -12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.847 6.747 -13.819 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.901 7.786 -11.291 1.00 0.00 N ATOM 1581 CA ASP A 101 -7.238 8.336 -11.478 1.00 0.00 C ATOM 1582 C ASP A 101 -8.030 8.295 -10.174 1.00 0.00 C ATOM 1583 O ASP A 101 -7.943 7.331 -9.414 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.984 7.562 -12.566 1.00 0.00 C ATOM 1585 CG ASP A 101 -7.609 8.021 -13.962 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -7.190 9.189 -14.111 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -7.735 7.213 -14.906 1.00 0.00 O ATOM 0 H ASP A 101 -5.871 6.770 -11.209 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.136 9.376 -11.788 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.767 6.499 -12.465 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.058 7.683 -12.423 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.802 9.347 -9.923 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.607 9.432 -8.711 1.00 0.00 C ATOM 1594 C ARG A 102 -10.337 8.118 -8.450 1.00 0.00 C ATOM 1595 O ARG A 102 -10.366 7.626 -7.321 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.618 10.575 -8.823 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.391 10.833 -7.541 1.00 0.00 C ATOM 1598 CD ARG A 102 -12.403 11.954 -7.716 1.00 0.00 C ATOM 1599 NE ARG A 102 -13.072 12.289 -6.461 1.00 0.00 N ATOM 1600 CZ ARG A 102 -14.268 12.864 -6.397 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -14.923 13.166 -7.509 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -14.811 13.138 -5.217 1.00 0.00 N ATOM 0 H ARG A 102 -8.887 10.152 -10.543 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.937 9.629 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.093 11.486 -9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.323 10.348 -9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.905 9.922 -7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.696 11.090 -6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.900 12.839 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.147 11.658 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.595 12.070 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.509 12.957 -8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.841 13.607 -7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.310 12.907 -4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.729 13.579 -5.168 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.924 7.554 -9.500 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.653 6.297 -9.384 1.00 0.00 C ATOM 1618 C ASP A 103 -10.741 5.184 -8.878 1.00 0.00 C ATOM 1619 O ASP A 103 -11.115 4.415 -7.993 1.00 0.00 O ATOM 1620 CB ASP A 103 -12.255 5.906 -10.735 1.00 0.00 C ATOM 1621 CG ASP A 103 -13.379 4.898 -10.598 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -14.282 5.125 -9.766 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -13.356 3.882 -11.324 1.00 0.00 O ATOM 0 H ASP A 103 -10.909 7.948 -10.441 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.458 6.438 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.631 6.799 -11.234 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.474 5.490 -11.371 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.543 5.103 -9.448 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.577 4.084 -9.055 1.00 0.00 C ATOM 1630 C ASP A 104 -8.226 4.210 -7.576 1.00 0.00 C ATOM 1631 O ASP A 104 -8.226 3.223 -6.842 1.00 0.00 O ATOM 1632 CB ASP A 104 -7.310 4.198 -9.904 1.00 0.00 C ATOM 1633 CG ASP A 104 -7.517 3.705 -11.323 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -8.420 4.231 -12.007 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -6.778 2.793 -11.748 1.00 0.00 O ATOM 0 H ASP A 104 -9.218 5.731 -10.183 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.029 3.106 -9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.985 5.238 -9.928 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.510 3.624 -9.436 1.00 0.00 H new ATOM 1640 N MET A 105 -7.926 5.432 -7.146 1.00 0.00 N ATOM 1641 CA MET A 105 -7.573 5.686 -5.754 1.00 0.00 C ATOM 1642 C MET A 105 -8.664 5.181 -4.815 1.00 0.00 C ATOM 1643 O MET A 105 -8.387 4.459 -3.856 1.00 0.00 O ATOM 1644 CB MET A 105 -7.342 7.182 -5.529 1.00 0.00 C ATOM 1645 CG MET A 105 -7.085 7.545 -4.076 1.00 0.00 C ATOM 1646 SD MET A 105 -8.599 7.943 -3.181 1.00 0.00 S ATOM 1647 CE MET A 105 -9.017 9.525 -3.908 1.00 0.00 C ATOM 0 H MET A 105 -7.920 6.261 -7.741 1.00 0.00 H new ATOM 0 HA MET A 105 -6.652 5.146 -5.535 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.493 7.505 -6.131 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.213 7.733 -5.884 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.583 6.714 -3.581 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.407 8.398 -4.033 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.667 10.077 -3.229 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.106 10.097 -4.084 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.534 9.365 -4.854 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.904 5.565 -5.096 1.00 0.00 N ATOM 1658 CA LEU A 106 -11.038 5.151 -4.276 1.00 0.00 C ATOM 1659 C LEU A 106 -11.154 3.630 -4.237 1.00 0.00 C ATOM 1660 O LEU A 106 -11.343 3.040 -3.173 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.333 5.759 -4.817 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.413 7.286 -4.806 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -13.628 7.762 -5.587 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -12.456 7.808 -3.377 1.00 0.00 C ATOM 0 H LEU A 106 -10.150 6.162 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.872 5.511 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.472 5.415 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.166 5.367 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.519 7.681 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.669 8.851 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.554 7.419 -6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.533 7.357 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.513 8.896 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.332 7.404 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.554 7.497 -2.849 1.00 0.00 H new ATOM 1676 N ALA A 107 -11.039 3.003 -5.402 1.00 0.00 N ATOM 1677 CA ALA A 107 -11.127 1.551 -5.500 1.00 0.00 C ATOM 1678 C ALA A 107 -10.223 0.876 -4.475 1.00 0.00 C ATOM 1679 O ALA A 107 -10.682 0.078 -3.658 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.768 1.094 -6.906 1.00 0.00 C ATOM 0 H ALA A 107 -10.885 3.477 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.155 1.259 -5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.838 0.008 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.458 1.541 -7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.750 1.405 -7.141 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.936 1.200 -4.524 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.966 0.623 -3.599 1.00 0.00 C ATOM 1688 C TRP A 108 -8.447 0.750 -2.158 1.00 0.00 C ATOM 1689 O TRP A 108 -8.506 -0.238 -1.425 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.608 1.309 -3.758 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.725 0.647 -4.773 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.428 1.106 -6.025 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -5.025 -0.593 -4.622 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.587 0.226 -6.661 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.324 -0.824 -5.821 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.922 -1.529 -3.589 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.532 -1.953 -6.014 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.136 -2.649 -3.782 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.449 -2.853 -4.986 1.00 0.00 C ATOM 0 H TRP A 108 -8.539 1.859 -5.194 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.860 -0.436 -3.836 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.765 2.348 -4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.099 1.319 -2.794 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.800 2.026 -6.452 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.218 0.336 -7.606 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.447 -1.380 -2.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -3.002 -2.113 -6.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.050 -3.380 -2.991 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.842 -3.738 -5.105 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.790 1.970 -1.758 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.267 2.223 -0.404 1.00 0.00 C ATOM 1712 C ILE A 109 -10.305 1.188 0.016 1.00 0.00 C ATOM 1713 O ILE A 109 -10.188 0.567 1.072 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.881 3.630 -0.278 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.801 4.699 -0.451 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.578 3.785 1.066 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.355 6.096 -0.624 1.00 0.00 C ATOM 0 H ILE A 109 -8.746 2.798 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.401 2.153 0.254 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.622 3.759 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.143 4.683 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.190 4.449 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.007 4.784 1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.371 3.042 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.856 3.639 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.533 6.802 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.990 6.129 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.942 6.366 0.254 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.322 1.006 -0.820 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.381 0.043 -0.538 1.00 0.00 C ATOM 1731 C LYS A 110 -11.809 -1.360 -0.368 1.00 0.00 C ATOM 1732 O LYS A 110 -11.787 -1.904 0.737 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.417 0.051 -1.664 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.425 -1.082 -1.571 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.492 -0.970 -2.647 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.628 -0.057 -2.212 1.00 0.00 C ATOM 1737 NZ LYS A 110 -16.318 1.376 -2.469 1.00 0.00 N ATOM 0 H LYS A 110 -11.435 1.512 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.865 0.334 0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.949 1.002 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.901 -0.011 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -13.909 -2.038 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.896 -1.071 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.046 -0.586 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.886 -1.960 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.539 -0.332 -2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.823 -0.201 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.192 1.881 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.907 1.801 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -15.638 1.449 -3.253 1.00 0.00 H new ATOM 1751 N THR A 111 -11.346 -1.944 -1.469 1.00 0.00 N ATOM 1752 CA THR A 111 -10.774 -3.284 -1.442 1.00 0.00 C ATOM 1753 C THR A 111 -9.966 -3.510 -0.170 1.00 0.00 C ATOM 1754 O THR A 111 -10.255 -4.422 0.606 1.00 0.00 O ATOM 1755 CB THR A 111 -9.869 -3.533 -2.663 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.577 -3.225 -3.869 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.399 -4.980 -2.701 1.00 0.00 C ATOM 0 H THR A 111 -11.356 -1.509 -2.392 1.00 0.00 H new ATOM 0 HA THR A 111 -11.608 -3.985 -1.469 1.00 0.00 H new ATOM 0 HB THR A 111 -8.996 -2.885 -2.579 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.057 -3.532 -4.641 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.761 -5.133 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.836 -5.204 -1.795 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.263 -5.642 -2.764 1.00 0.00 H new ATOM 1765 N ILE A 112 -8.953 -2.676 0.039 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.104 -2.785 1.219 1.00 0.00 C ATOM 1767 C ILE A 112 -8.928 -2.693 2.499 1.00 0.00 C ATOM 1768 O ILE A 112 -8.886 -3.590 3.340 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.023 -1.688 1.238 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.232 -1.699 -0.072 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.093 -1.882 2.426 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.641 -0.354 -0.432 1.00 0.00 C ATOM 0 H ILE A 112 -8.700 -1.917 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.620 -3.760 1.170 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.511 -0.719 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.428 -2.431 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.886 -2.027 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.334 -1.099 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.668 -1.830 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.609 -2.856 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.094 -0.436 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.441 0.378 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.961 -0.033 0.357 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.677 -1.604 2.637 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.512 -1.396 3.814 1.00 0.00 C ATOM 1786 C GLN A 113 -11.328 -2.645 4.131 1.00 0.00 C ATOM 1787 O GLN A 113 -11.495 -3.010 5.294 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.445 -0.204 3.600 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.808 1.135 3.933 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.832 2.201 4.272 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.994 1.897 4.543 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.404 3.458 4.261 1.00 0.00 N ATOM 0 H GLN A 113 -9.723 -0.853 1.949 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.857 -1.188 4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.773 -0.192 2.561 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.336 -0.336 4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.127 1.010 4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.209 1.469 3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.432 3.664 4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.047 4.218 4.483 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.834 -3.296 3.087 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.634 -4.503 3.255 1.00 0.00 C ATOM 1803 C GLU A 114 -11.838 -5.586 3.979 1.00 0.00 C ATOM 1804 O GLU A 114 -12.340 -6.227 4.903 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.104 -5.024 1.895 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.161 -4.150 1.242 1.00 0.00 C ATOM 1807 CD GLU A 114 -14.547 -4.637 -0.141 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -13.669 -5.177 -0.846 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -15.727 -4.478 -0.519 1.00 0.00 O ATOM 0 H GLU A 114 -11.704 -3.007 2.117 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.505 -4.250 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.245 -5.101 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.503 -6.031 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.048 -4.125 1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.790 -3.128 1.173 1.00 0.00 H new ATOM 1816 N SER A 115 -10.596 -5.785 3.552 1.00 0.00 N ATOM 1817 CA SER A 115 -9.732 -6.792 4.155 1.00 0.00 C ATOM 1818 C SER A 115 -9.333 -6.389 5.572 1.00 0.00 C ATOM 1819 O SER A 115 -9.240 -7.230 6.466 1.00 0.00 O ATOM 1820 CB SER A 115 -8.480 -7.000 3.301 1.00 0.00 C ATOM 1821 OG SER A 115 -7.495 -6.024 3.594 1.00 0.00 O ATOM 0 H SER A 115 -10.165 -5.262 2.790 1.00 0.00 H new ATOM 0 HA SER A 115 -10.289 -7.728 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.075 -7.996 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.744 -6.949 2.245 1.00 0.00 H new ATOM 0 HG SER A 115 -7.887 -5.129 3.513 1.00 0.00 H new ATOM 1827 N SER A 116 -9.099 -5.095 5.768 1.00 0.00 N ATOM 1828 CA SER A 116 -8.707 -4.579 7.074 1.00 0.00 C ATOM 1829 C SER A 116 -9.927 -4.381 7.968 1.00 0.00 C ATOM 1830 O SER A 116 -10.049 -3.366 8.654 1.00 0.00 O ATOM 1831 CB SER A 116 -7.955 -3.255 6.918 1.00 0.00 C ATOM 1832 OG SER A 116 -8.807 -2.241 6.413 1.00 0.00 O ATOM 0 H SER A 116 -9.174 -4.385 5.039 1.00 0.00 H new ATOM 0 HA SER A 116 -8.049 -5.310 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.550 -2.947 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.108 -3.391 6.245 1.00 0.00 H new ATOM 0 HG SER A 116 -9.651 -2.641 6.115 1.00 0.00 H new ATOM 1838 N ASN A 117 -10.827 -5.359 7.956 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.038 -5.293 8.765 1.00 0.00 C ATOM 1840 C ASN A 117 -12.509 -6.691 9.155 1.00 0.00 C ATOM 1841 O ASN A 117 -12.877 -7.496 8.298 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.147 -4.564 8.003 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.354 -4.276 8.874 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -14.318 -4.470 10.089 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -15.433 -3.810 8.255 1.00 0.00 N ATOM 0 H ASN A 117 -10.740 -6.206 7.395 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.807 -4.739 9.675 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.756 -3.627 7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.454 -5.167 7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -16.276 -3.598 8.789 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -15.419 -3.664 7.246 1.00 0.00 H new ATOM 1852 N LEU A 118 -12.494 -6.973 10.453 1.00 0.00 N ATOM 1853 CA LEU A 118 -12.920 -8.274 10.958 1.00 0.00 C ATOM 1854 C LEU A 118 -14.348 -8.586 10.522 1.00 0.00 C ATOM 1855 O LEU A 118 -14.602 -9.602 9.876 1.00 0.00 O ATOM 1856 CB LEU A 118 -12.821 -8.308 12.484 1.00 0.00 C ATOM 1857 CG LEU A 118 -11.430 -8.571 13.061 1.00 0.00 C ATOM 1858 CD1 LEU A 118 -11.309 -7.976 14.455 1.00 0.00 C ATOM 1859 CD2 LEU A 118 -11.138 -10.064 13.089 1.00 0.00 C ATOM 0 H LEU A 118 -12.192 -6.319 11.175 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.258 -9.033 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -13.179 -7.355 12.873 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.498 -9.078 12.855 1.00 0.00 H new ATOM 0 HG LEU A 118 -10.694 -8.089 12.418 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -10.312 -8.173 14.850 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.474 -6.900 14.407 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.054 -8.428 15.110 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.144 -10.233 13.503 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.879 -10.568 13.709 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.182 -10.462 12.075 1.00 0.00 H new ATOM 1871 N ASN A 119 -15.276 -7.705 10.879 1.00 0.00 N ATOM 1872 CA ASN A 119 -16.679 -7.886 10.523 1.00 0.00 C ATOM 1873 C ASN A 119 -17.131 -9.315 10.805 1.00 0.00 C ATOM 1874 O ASN A 119 -17.838 -9.924 10.001 1.00 0.00 O ATOM 1875 CB ASN A 119 -16.899 -7.551 9.046 1.00 0.00 C ATOM 1876 CG ASN A 119 -18.336 -7.167 8.749 1.00 0.00 C ATOM 1877 OD1 ASN A 119 -19.100 -7.958 8.195 1.00 0.00 O ATOM 1878 ND2 ASN A 119 -18.711 -5.947 9.117 1.00 0.00 N ATOM 0 H ASN A 119 -15.082 -6.859 11.414 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.274 -7.208 11.135 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -16.240 -6.731 8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.622 -8.411 8.436 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -19.666 -5.633 8.943 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -18.044 -5.324 9.574 1.00 0.00 H new ATOM 1885 N SER A 120 -16.719 -9.845 11.952 1.00 0.00 N ATOM 1886 CA SER A 120 -17.079 -11.204 12.339 1.00 0.00 C ATOM 1887 C SER A 120 -18.016 -11.196 13.543 1.00 0.00 C ATOM 1888 O SER A 120 -17.721 -10.584 14.569 1.00 0.00 O ATOM 1889 CB SER A 120 -15.823 -12.015 12.662 1.00 0.00 C ATOM 1890 OG SER A 120 -16.134 -13.385 12.848 1.00 0.00 O ATOM 0 H SER A 120 -16.136 -9.354 12.630 1.00 0.00 H new ATOM 0 HA SER A 120 -17.597 -11.669 11.500 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.100 -11.910 11.853 1.00 0.00 H new ATOM 0 HB3 SER A 120 -15.353 -11.620 13.563 1.00 0.00 H new ATOM 0 HG SER A 120 -15.314 -13.882 13.052 1.00 0.00 H new ATOM 1896 N GLY A 121 -19.148 -11.881 13.410 1.00 0.00 N ATOM 1897 CA GLY A 121 -20.111 -11.940 14.493 1.00 0.00 C ATOM 1898 C GLY A 121 -21.288 -12.841 14.175 1.00 0.00 C ATOM 1899 O GLY A 121 -21.537 -13.837 14.854 1.00 0.00 O ATOM 0 H GLY A 121 -19.415 -12.396 12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -19.616 -12.299 15.396 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -20.474 -10.935 14.707 1.00 0.00 H new ATOM 1903 N PRO A 122 -22.037 -12.491 13.118 1.00 0.00 N ATOM 1904 CA PRO A 122 -23.207 -13.262 12.687 1.00 0.00 C ATOM 1905 C PRO A 122 -22.824 -14.613 12.093 1.00 0.00 C ATOM 1906 O PRO A 122 -23.683 -15.367 11.635 1.00 0.00 O ATOM 1907 CB PRO A 122 -23.846 -12.370 11.620 1.00 0.00 C ATOM 1908 CG PRO A 122 -22.724 -11.540 11.098 1.00 0.00 C ATOM 1909 CD PRO A 122 -21.798 -11.317 12.262 1.00 0.00 C ATOM 0 HA PRO A 122 -23.871 -13.496 13.520 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -24.301 -12.964 10.828 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -24.634 -11.748 12.044 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -22.210 -12.048 10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -23.090 -10.592 10.703 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -20.758 -11.258 11.942 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.025 -10.387 12.783 1.00 0.00 H new ATOM 1917 N SER A 123 -21.529 -14.914 12.103 1.00 0.00 N ATOM 1918 CA SER A 123 -21.033 -16.173 11.562 1.00 0.00 C ATOM 1919 C SER A 123 -21.591 -17.359 12.343 1.00 0.00 C ATOM 1920 O SER A 123 -21.086 -17.707 13.410 1.00 0.00 O ATOM 1921 CB SER A 123 -19.503 -16.200 11.597 1.00 0.00 C ATOM 1922 OG SER A 123 -18.984 -17.012 10.558 1.00 0.00 O ATOM 0 H SER A 123 -20.805 -14.303 12.480 1.00 0.00 H new ATOM 0 HA SER A 123 -21.368 -16.252 10.528 1.00 0.00 H new ATOM 0 HB2 SER A 123 -19.116 -15.186 11.498 1.00 0.00 H new ATOM 0 HB3 SER A 123 -19.165 -16.578 12.562 1.00 0.00 H new ATOM 0 HG SER A 123 -18.921 -17.940 10.868 1.00 0.00 H new ATOM 1928 N SER A 124 -22.639 -17.974 11.804 1.00 0.00 N ATOM 1929 CA SER A 124 -23.270 -19.118 12.451 1.00 0.00 C ATOM 1930 C SER A 124 -22.220 -20.069 13.019 1.00 0.00 C ATOM 1931 O SER A 124 -22.182 -20.323 14.222 1.00 0.00 O ATOM 1932 CB SER A 124 -24.165 -19.863 11.459 1.00 0.00 C ATOM 1933 OG SER A 124 -24.579 -21.112 11.984 1.00 0.00 O ATOM 0 H SER A 124 -23.069 -17.699 10.921 1.00 0.00 H new ATOM 0 HA SER A 124 -23.882 -18.746 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 124 -25.039 -19.255 11.226 1.00 0.00 H new ATOM 0 HB3 SER A 124 -23.626 -20.018 10.524 1.00 0.00 H new ATOM 0 HG SER A 124 -25.151 -21.568 11.332 1.00 0.00 H new ATOM 1939 N GLY A 125 -21.369 -20.593 12.141 1.00 0.00 N ATOM 1940 CA GLY A 125 -20.330 -21.510 12.572 1.00 0.00 C ATOM 1941 C GLY A 125 -18.937 -20.970 12.314 1.00 0.00 C ATOM 1942 O GLY A 125 -18.756 -20.064 11.501 1.00 0.00 O ATOM 0 H GLY A 125 -21.381 -20.399 11.140 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -20.447 -21.712 13.637 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -20.450 -22.461 12.052 1.00 0.00 H new TER 1946 GLY A 125