USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 964 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 24 ASN : amide:sc= -0.903 K(o=-2.7,f=-5.3) USER MOD Set 1.2: A 107 MET CE :methyl 139:sc= -1.75 (180deg=-2.31!) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.139 (180deg=-0.423) USER MOD Single : A 1 MET N :NH3+ 129:sc= 1.29 (180deg=-0.71) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.1) USER MOD Single : A 33 TYR OH : rot -77:sc= 0.385 USER MOD Single : A 39 GLN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 40 SER OG : rot 8:sc= 1.19 USER MOD Single : A 41 CYS SG : rot 14:sc= 0.716 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.601 K(o=0.6,f=-0.0034) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.748 USER MOD Single : A 68 THR OG1 : rot -170:sc= 0.0678 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0.24 (180deg=0.17) USER MOD Single : A 72 THR OG1 : rot 71:sc= 0.708 USER MOD Single : A 74 SER OG : rot -27:sc= 0.632 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0.123 USER MOD Single : A 95 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.2) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.16) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0505 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -160:sc= -0.417 USER MOD Single : A 109 ASN : amide:sc= 0.636 K(o=0.64,f=-5.2!) USER MOD Single : A 114 TYR OH : rot 52:sc= 1.27 USER MOD Single : A 117 SER OG : rot 95:sc= 1.27 USER MOD Single : A 118 GLN : amide:sc= -0.545 K(o=-0.55,f=-4.9!) USER MOD Single : A 119 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.0027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.875 -12.089 -8.197 1.00 70.42 N ATOM 2 CA MET A 1 -5.009 -10.657 -8.527 1.00 31.15 C ATOM 3 C MET A 1 -3.637 -10.140 -8.940 1.00 55.54 C ATOM 4 O MET A 1 -2.701 -10.276 -8.154 1.00 22.11 O ATOM 5 CB MET A 1 -5.508 -9.852 -7.315 1.00 70.52 C ATOM 6 CG MET A 1 -5.993 -8.457 -7.704 1.00 44.24 C ATOM 7 SD MET A 1 -7.712 -8.387 -8.269 1.00 12.22 S ATOM 8 CE MET A 1 -7.841 -6.609 -8.602 1.00 31.42 C ATOM 0 H1 MET A 1 -5.296 -12.271 -7.264 1.00 70.42 H new ATOM 0 H2 MET A 1 -5.366 -12.658 -8.915 1.00 70.42 H new ATOM 0 H3 MET A 1 -3.868 -12.348 -8.179 1.00 70.42 H new ATOM 0 HA MET A 1 -5.734 -10.540 -9.332 1.00 31.15 H new ATOM 0 HB2 MET A 1 -6.320 -10.395 -6.831 1.00 70.52 H new ATOM 0 HB3 MET A 1 -4.704 -9.764 -6.584 1.00 70.52 H new ATOM 0 HG2 MET A 1 -5.879 -7.795 -6.846 1.00 44.24 H new ATOM 0 HG3 MET A 1 -5.349 -8.070 -8.493 1.00 44.24 H new ATOM 0 HE1 MET A 1 -8.748 -6.411 -9.172 1.00 31.42 H new ATOM 0 HE2 MET A 1 -7.879 -6.064 -7.659 1.00 31.42 H new ATOM 0 HE3 MET A 1 -6.973 -6.282 -9.175 1.00 31.42 H new ATOM 18 N GLY A 2 -3.485 -9.546 -10.126 1.00 0.24 N ATOM 19 CA GLY A 2 -2.188 -9.191 -10.682 1.00 50.24 C ATOM 20 C GLY A 2 -2.285 -7.872 -11.426 1.00 25.31 C ATOM 21 O GLY A 2 -2.494 -7.840 -12.638 1.00 45.30 O ATOM 0 H GLY A 2 -4.269 -9.298 -10.729 1.00 0.24 H new ATOM 0 HA2 GLY A 2 -1.450 -9.114 -9.884 1.00 50.24 H new ATOM 0 HA3 GLY A 2 -1.846 -9.975 -11.358 1.00 50.24 H new ATOM 25 N ILE A 3 -2.182 -6.775 -10.681 1.00 5.24 N ATOM 26 CA ILE A 3 -2.186 -5.415 -11.221 1.00 70.31 C ATOM 27 C ILE A 3 -0.763 -5.064 -11.685 1.00 53.22 C ATOM 28 O ILE A 3 0.213 -5.673 -11.228 1.00 51.23 O ATOM 29 CB ILE A 3 -2.760 -4.432 -10.164 1.00 23.10 C ATOM 30 CG1 ILE A 3 -4.101 -4.990 -9.629 1.00 74.41 C ATOM 31 CG2 ILE A 3 -2.966 -3.011 -10.726 1.00 61.21 C ATOM 32 CD1 ILE A 3 -4.900 -4.045 -8.731 1.00 20.54 C ATOM 0 H ILE A 3 -2.092 -6.805 -9.665 1.00 5.24 H new ATOM 0 HA ILE A 3 -2.837 -5.335 -12.092 1.00 70.31 H new ATOM 0 HB ILE A 3 -2.032 -4.349 -9.357 1.00 23.10 H new ATOM 0 HG12 ILE A 3 -4.724 -5.267 -10.480 1.00 74.41 H new ATOM 0 HG13 ILE A 3 -3.897 -5.905 -9.073 1.00 74.41 H new ATOM 0 HG21 ILE A 3 -3.369 -2.366 -9.945 1.00 61.21 H new ATOM 0 HG22 ILE A 3 -2.011 -2.613 -11.069 1.00 61.21 H new ATOM 0 HG23 ILE A 3 -3.664 -3.048 -11.562 1.00 61.21 H new ATOM 0 HD11 ILE A 3 -5.820 -4.536 -8.413 1.00 20.54 H new ATOM 0 HD12 ILE A 3 -4.305 -3.786 -7.855 1.00 20.54 H new ATOM 0 HD13 ILE A 3 -5.145 -3.138 -9.284 1.00 20.54 H new ATOM 44 N THR A 4 -0.637 -4.068 -12.560 1.00 1.12 N ATOM 45 CA THR A 4 0.613 -3.428 -12.944 1.00 63.41 C ATOM 46 C THR A 4 0.664 -2.070 -12.247 1.00 33.54 C ATOM 47 O THR A 4 -0.119 -1.179 -12.569 1.00 1.21 O ATOM 48 CB THR A 4 0.674 -3.282 -14.471 1.00 64.42 C ATOM 49 OG1 THR A 4 0.655 -4.576 -15.046 1.00 74.01 O ATOM 50 CG2 THR A 4 1.944 -2.555 -14.925 1.00 3.03 C ATOM 0 H THR A 4 -1.443 -3.669 -13.041 1.00 1.12 H new ATOM 0 HA THR A 4 1.474 -4.025 -12.643 1.00 63.41 H new ATOM 0 HB THR A 4 -0.183 -2.691 -14.794 1.00 64.42 H new ATOM 0 HG1 THR A 4 0.692 -4.501 -16.022 1.00 74.01 H new ATOM 0 HG21 THR A 4 1.947 -2.473 -16.012 1.00 3.03 H new ATOM 0 HG22 THR A 4 1.969 -1.558 -14.486 1.00 3.03 H new ATOM 0 HG23 THR A 4 2.820 -3.116 -14.601 1.00 3.03 H new ATOM 58 N ILE A 5 1.565 -1.915 -11.282 1.00 75.31 N ATOM 59 CA ILE A 5 1.917 -0.617 -10.739 1.00 41.32 C ATOM 60 C ILE A 5 2.757 0.105 -11.770 1.00 74.21 C ATOM 61 O ILE A 5 3.626 -0.481 -12.424 1.00 11.33 O ATOM 62 CB ILE A 5 2.645 -0.781 -9.377 1.00 21.33 C ATOM 63 CG1 ILE A 5 1.731 -1.131 -8.183 1.00 73.30 C ATOM 64 CG2 ILE A 5 3.463 0.441 -8.937 1.00 65.33 C ATOM 65 CD1 ILE A 5 0.625 -2.131 -8.483 1.00 35.45 C ATOM 0 H ILE A 5 2.071 -2.692 -10.856 1.00 75.31 H new ATOM 0 HA ILE A 5 1.027 -0.021 -10.535 1.00 41.32 H new ATOM 0 HB ILE A 5 3.302 -1.621 -9.605 1.00 21.33 H new ATOM 0 HG12 ILE A 5 2.349 -1.528 -7.378 1.00 73.30 H new ATOM 0 HG13 ILE A 5 1.277 -0.212 -7.813 1.00 73.30 H new ATOM 0 HG21 ILE A 5 3.936 0.236 -7.976 1.00 65.33 H new ATOM 0 HG22 ILE A 5 4.231 0.652 -9.681 1.00 65.33 H new ATOM 0 HG23 ILE A 5 2.804 1.304 -8.840 1.00 65.33 H new ATOM 0 HD11 ILE A 5 0.041 -2.309 -7.580 1.00 35.45 H new ATOM 0 HD12 ILE A 5 -0.024 -1.733 -9.263 1.00 35.45 H new ATOM 0 HD13 ILE A 5 1.065 -3.069 -8.821 1.00 35.45 H new ATOM 77 N THR A 6 2.517 1.404 -11.818 1.00 53.52 N ATOM 78 CA THR A 6 3.354 2.370 -12.487 1.00 41.03 C ATOM 79 C THR A 6 3.928 3.332 -11.461 1.00 61.40 C ATOM 80 O THR A 6 3.242 3.810 -10.563 1.00 21.03 O ATOM 81 CB THR A 6 2.553 3.057 -13.602 1.00 11.40 C ATOM 82 OG1 THR A 6 1.170 3.201 -13.325 1.00 42.12 O ATOM 83 CG2 THR A 6 2.649 2.141 -14.814 1.00 21.11 C ATOM 0 H THR A 6 1.701 1.825 -11.373 1.00 53.52 H new ATOM 0 HA THR A 6 4.203 1.888 -12.971 1.00 41.03 H new ATOM 0 HB THR A 6 2.965 4.057 -13.734 1.00 11.40 H new ATOM 0 HG1 THR A 6 0.730 3.647 -14.079 1.00 42.12 H new ATOM 0 HG21 THR A 6 2.096 2.578 -15.645 1.00 21.11 H new ATOM 0 HG22 THR A 6 3.695 2.021 -15.097 1.00 21.11 H new ATOM 0 HG23 THR A 6 2.226 1.167 -14.568 1.00 21.11 H new ATOM 91 N ASP A 7 5.213 3.605 -11.594 1.00 1.35 N ATOM 92 CA ASP A 7 5.991 4.538 -10.812 1.00 22.13 C ATOM 93 C ASP A 7 5.313 5.899 -10.770 1.00 54.43 C ATOM 94 O ASP A 7 5.289 6.536 -9.717 1.00 63.12 O ATOM 95 CB ASP A 7 7.370 4.661 -11.461 1.00 43.53 C ATOM 96 CG ASP A 7 8.181 3.372 -11.367 1.00 10.31 C ATOM 97 OD1 ASP A 7 7.833 2.353 -12.005 1.00 52.22 O ATOM 98 OD2 ASP A 7 9.195 3.369 -10.637 1.00 24.40 O ATOM 0 H ASP A 7 5.779 3.144 -12.306 1.00 1.35 H new ATOM 0 HA ASP A 7 6.081 4.178 -9.787 1.00 22.13 H new ATOM 0 HB2 ASP A 7 7.251 4.935 -12.509 1.00 43.53 H new ATOM 0 HB3 ASP A 7 7.922 5.469 -10.981 1.00 43.53 H new ATOM 103 N GLU A 8 4.742 6.346 -11.894 1.00 1.15 N ATOM 104 CA GLU A 8 4.086 7.650 -11.942 1.00 31.20 C ATOM 105 C GLU A 8 2.824 7.665 -11.070 1.00 5.10 C ATOM 106 O GLU A 8 2.479 8.691 -10.478 1.00 63.12 O ATOM 107 CB GLU A 8 3.728 8.007 -13.392 1.00 34.45 C ATOM 108 CG GLU A 8 4.967 8.186 -14.284 1.00 60.50 C ATOM 109 CD GLU A 8 4.821 9.318 -15.313 1.00 15.43 C ATOM 110 OE1 GLU A 8 3.725 9.502 -15.899 1.00 25.12 O ATOM 111 OE2 GLU A 8 5.822 10.016 -15.580 1.00 73.32 O ATOM 0 H GLU A 8 4.722 5.828 -12.772 1.00 1.15 H new ATOM 0 HA GLU A 8 4.780 8.394 -11.550 1.00 31.20 H new ATOM 0 HB2 GLU A 8 3.096 7.223 -13.809 1.00 34.45 H new ATOM 0 HB3 GLU A 8 3.143 8.927 -13.401 1.00 34.45 H new ATOM 0 HG2 GLU A 8 5.833 8.388 -13.654 1.00 60.50 H new ATOM 0 HG3 GLU A 8 5.166 7.252 -14.809 1.00 60.50 H new ATOM 118 N LEU A 9 2.131 6.524 -10.973 1.00 24.14 N ATOM 119 CA LEU A 9 0.952 6.357 -10.161 1.00 43.12 C ATOM 120 C LEU A 9 1.354 6.256 -8.685 1.00 54.53 C ATOM 121 O LEU A 9 0.562 6.600 -7.817 1.00 15.22 O ATOM 122 CB LEU A 9 0.204 5.143 -10.725 1.00 60.24 C ATOM 123 CG LEU A 9 -0.960 4.693 -9.858 1.00 72.13 C ATOM 124 CD1 LEU A 9 -2.050 5.759 -9.682 1.00 54.34 C ATOM 125 CD2 LEU A 9 -1.585 3.447 -10.498 1.00 20.32 C ATOM 0 H LEU A 9 2.394 5.677 -11.477 1.00 24.14 H new ATOM 0 HA LEU A 9 0.272 7.208 -10.197 1.00 43.12 H new ATOM 0 HB2 LEU A 9 -0.167 5.385 -11.721 1.00 60.24 H new ATOM 0 HB3 LEU A 9 0.904 4.315 -10.838 1.00 60.24 H new ATOM 0 HG LEU A 9 -0.560 4.490 -8.865 1.00 72.13 H new ATOM 0 HD11 LEU A 9 -2.847 5.364 -9.052 1.00 54.34 H new ATOM 0 HD12 LEU A 9 -1.621 6.644 -9.213 1.00 54.34 H new ATOM 0 HD13 LEU A 9 -2.458 6.027 -10.657 1.00 54.34 H new ATOM 0 HD21 LEU A 9 -2.424 3.108 -9.890 1.00 20.32 H new ATOM 0 HD22 LEU A 9 -1.938 3.691 -11.500 1.00 20.32 H new ATOM 0 HD23 LEU A 9 -0.838 2.656 -10.559 1.00 20.32 H new ATOM 137 N LEU A 10 2.592 5.871 -8.367 1.00 34.41 N ATOM 138 CA LEU A 10 3.086 5.899 -6.994 1.00 55.01 C ATOM 139 C LEU A 10 3.364 7.324 -6.544 1.00 13.32 C ATOM 140 O LEU A 10 3.021 7.681 -5.415 1.00 51.13 O ATOM 141 CB LEU A 10 4.350 5.053 -6.828 1.00 23.31 C ATOM 142 CG LEU A 10 4.126 3.573 -7.155 1.00 34.24 C ATOM 143 CD1 LEU A 10 5.459 2.849 -7.024 1.00 41.23 C ATOM 144 CD2 LEU A 10 3.092 2.912 -6.236 1.00 44.10 C ATOM 0 H LEU A 10 3.272 5.535 -9.049 1.00 34.41 H new ATOM 0 HA LEU A 10 2.303 5.472 -6.368 1.00 55.01 H new ATOM 0 HB2 LEU A 10 5.133 5.448 -7.475 1.00 23.31 H new ATOM 0 HB3 LEU A 10 4.709 5.143 -5.803 1.00 23.31 H new ATOM 0 HG LEU A 10 3.734 3.506 -8.170 1.00 34.24 H new ATOM 0 HD11 LEU A 10 5.323 1.792 -7.253 1.00 41.23 H new ATOM 0 HD12 LEU A 10 6.178 3.281 -7.720 1.00 41.23 H new ATOM 0 HD13 LEU A 10 5.832 2.955 -6.005 1.00 41.23 H new ATOM 0 HD21 LEU A 10 2.975 1.865 -6.514 1.00 44.10 H new ATOM 0 HD22 LEU A 10 3.430 2.977 -5.202 1.00 44.10 H new ATOM 0 HD23 LEU A 10 2.135 3.424 -6.338 1.00 44.10 H new ATOM 156 N TRP A 11 3.974 8.147 -7.404 1.00 61.20 N ATOM 157 CA TRP A 11 4.284 9.532 -7.066 1.00 13.34 C ATOM 158 C TRP A 11 3.047 10.314 -6.634 1.00 72.24 C ATOM 159 O TRP A 11 3.140 11.170 -5.751 1.00 4.34 O ATOM 160 CB TRP A 11 5.007 10.228 -8.219 1.00 60.12 C ATOM 161 CG TRP A 11 6.487 10.032 -8.184 1.00 53.24 C ATOM 162 CD1 TRP A 11 7.205 9.216 -8.984 1.00 22.52 C ATOM 163 CD2 TRP A 11 7.440 10.615 -7.252 1.00 21.12 C ATOM 164 NE1 TRP A 11 8.544 9.315 -8.671 1.00 22.20 N ATOM 165 CE2 TRP A 11 8.736 10.121 -7.570 1.00 50.22 C ATOM 166 CE3 TRP A 11 7.326 11.452 -6.120 1.00 5.32 C ATOM 167 CZ2 TRP A 11 9.849 10.424 -6.778 1.00 73.24 C ATOM 168 CZ3 TRP A 11 8.445 11.774 -5.327 1.00 52.43 C ATOM 169 CH2 TRP A 11 9.706 11.245 -5.650 1.00 1.51 C ATOM 0 H TRP A 11 4.262 7.872 -8.343 1.00 61.20 H new ATOM 0 HA TRP A 11 4.956 9.509 -6.208 1.00 13.34 H new ATOM 0 HB2 TRP A 11 4.618 9.850 -9.165 1.00 60.12 H new ATOM 0 HB3 TRP A 11 4.787 11.295 -8.187 1.00 60.12 H new ATOM 0 HD1 TRP A 11 6.793 8.581 -9.754 1.00 22.52 H new ATOM 0 HE1 TRP A 11 9.293 8.853 -9.186 1.00 22.20 H new ATOM 0 HE3 TRP A 11 6.359 11.854 -5.856 1.00 5.32 H new ATOM 0 HZ2 TRP A 11 10.819 10.025 -7.036 1.00 73.24 H new ATOM 0 HZ3 TRP A 11 8.334 12.426 -4.473 1.00 52.43 H new ATOM 0 HH2 TRP A 11 10.562 11.470 -5.032 1.00 1.51 H new ATOM 180 N ALA A 12 1.886 9.979 -7.196 1.00 73.23 N ATOM 181 CA ALA A 12 0.619 10.595 -6.851 1.00 12.52 C ATOM 182 C ALA A 12 0.272 10.506 -5.362 1.00 23.25 C ATOM 183 O ALA A 12 -0.448 11.381 -4.875 1.00 30.54 O ATOM 184 CB ALA A 12 -0.481 9.943 -7.682 1.00 34.32 C ATOM 0 H ALA A 12 1.805 9.260 -7.915 1.00 73.23 H new ATOM 0 HA ALA A 12 0.706 11.659 -7.072 1.00 12.52 H new ATOM 0 HB1 ALA A 12 -1.441 10.396 -7.434 1.00 34.32 H new ATOM 0 HB2 ALA A 12 -0.273 10.091 -8.742 1.00 34.32 H new ATOM 0 HB3 ALA A 12 -0.516 8.875 -7.465 1.00 34.32 H new ATOM 190 N ILE A 13 0.753 9.484 -4.642 1.00 55.13 N ATOM 191 CA ILE A 13 0.554 9.382 -3.208 1.00 75.10 C ATOM 192 C ILE A 13 1.404 10.462 -2.521 1.00 20.03 C ATOM 193 O ILE A 13 0.890 11.187 -1.667 1.00 52.33 O ATOM 194 CB ILE A 13 0.862 7.953 -2.687 1.00 34.40 C ATOM 195 CG1 ILE A 13 -0.104 6.861 -3.205 1.00 54.10 C ATOM 196 CG2 ILE A 13 0.683 7.948 -1.168 1.00 23.22 C ATOM 197 CD1 ILE A 13 0.277 6.268 -4.560 1.00 4.10 C ATOM 0 H ILE A 13 1.287 8.713 -5.044 1.00 55.13 H new ATOM 0 HA ILE A 13 -0.494 9.556 -2.966 1.00 75.10 H new ATOM 0 HB ILE A 13 1.870 7.726 -3.033 1.00 34.40 H new ATOM 0 HG12 ILE A 13 -0.150 6.057 -2.471 1.00 54.10 H new ATOM 0 HG13 ILE A 13 -1.106 7.285 -3.277 1.00 54.10 H new ATOM 0 HG21 ILE A 13 0.895 6.952 -0.780 1.00 23.22 H new ATOM 0 HG22 ILE A 13 1.369 8.666 -0.718 1.00 23.22 H new ATOM 0 HG23 ILE A 13 -0.343 8.223 -0.922 1.00 23.22 H new ATOM 0 HD11 ILE A 13 -0.454 5.512 -4.845 1.00 4.10 H new ATOM 0 HD12 ILE A 13 0.294 7.058 -5.311 1.00 4.10 H new ATOM 0 HD13 ILE A 13 1.264 5.811 -4.492 1.00 4.10 H new ATOM 209 N LEU A 14 2.710 10.547 -2.824 1.00 15.55 N ATOM 210 CA LEU A 14 3.621 11.424 -2.105 1.00 25.31 C ATOM 211 C LEU A 14 3.355 12.903 -2.371 1.00 2.24 C ATOM 212 O LEU A 14 3.520 13.696 -1.441 1.00 43.45 O ATOM 213 CB LEU A 14 5.085 11.126 -2.468 1.00 63.03 C ATOM 214 CG LEU A 14 5.616 9.706 -2.201 1.00 61.32 C ATOM 215 CD1 LEU A 14 5.103 9.093 -0.888 1.00 72.13 C ATOM 216 CD2 LEU A 14 5.425 8.752 -3.380 1.00 10.53 C ATOM 0 H LEU A 14 3.152 10.010 -3.570 1.00 15.55 H new ATOM 0 HA LEU A 14 3.444 11.223 -1.048 1.00 25.31 H new ATOM 0 HB2 LEU A 14 5.217 11.339 -3.529 1.00 63.03 H new ATOM 0 HB3 LEU A 14 5.715 11.828 -1.921 1.00 63.03 H new ATOM 0 HG LEU A 14 6.691 9.840 -2.080 1.00 61.32 H new ATOM 0 HD11 LEU A 14 5.518 8.093 -0.767 1.00 72.13 H new ATOM 0 HD12 LEU A 14 5.411 9.718 -0.050 1.00 72.13 H new ATOM 0 HD13 LEU A 14 4.015 9.033 -0.915 1.00 72.13 H new ATOM 0 HD21 LEU A 14 5.822 7.770 -3.122 1.00 10.53 H new ATOM 0 HD22 LEU A 14 4.363 8.665 -3.609 1.00 10.53 H new ATOM 0 HD23 LEU A 14 5.954 9.139 -4.251 1.00 10.53 H new ATOM 228 N LYS A 15 3.062 13.287 -3.623 1.00 4.40 N ATOM 229 CA LYS A 15 2.962 14.683 -4.040 1.00 35.04 C ATOM 230 C LYS A 15 1.707 15.330 -3.427 1.00 35.50 C ATOM 231 O LYS A 15 1.784 15.938 -2.359 1.00 3.34 O ATOM 232 CB LYS A 15 2.970 14.732 -5.586 1.00 62.13 C ATOM 233 CG LYS A 15 4.254 14.224 -6.269 1.00 30.11 C ATOM 234 CD LYS A 15 5.478 15.097 -5.994 1.00 2.22 C ATOM 235 CE LYS A 15 6.551 14.858 -7.071 1.00 44.04 C ATOM 236 NZ LYS A 15 7.677 15.817 -6.996 1.00 24.12 N ATOM 0 H LYS A 15 2.887 12.625 -4.379 1.00 4.40 H new ATOM 0 HA LYS A 15 3.812 15.261 -3.678 1.00 35.04 H new ATOM 0 HB2 LYS A 15 2.129 14.144 -5.953 1.00 62.13 H new ATOM 0 HB3 LYS A 15 2.799 15.762 -5.898 1.00 62.13 H new ATOM 0 HG2 LYS A 15 4.459 13.208 -5.930 1.00 30.11 H new ATOM 0 HG3 LYS A 15 4.088 14.174 -7.345 1.00 30.11 H new ATOM 0 HD2 LYS A 15 5.190 16.148 -5.984 1.00 2.22 H new ATOM 0 HD3 LYS A 15 5.884 14.868 -5.008 1.00 2.22 H new ATOM 0 HE2 LYS A 15 6.938 13.844 -6.970 1.00 44.04 H new ATOM 0 HE3 LYS A 15 6.089 14.926 -8.056 1.00 44.04 H new ATOM 0 HZ1 LYS A 15 8.365 15.604 -7.746 1.00 24.12 H new ATOM 0 HZ2 LYS A 15 7.318 16.785 -7.121 1.00 24.12 H new ATOM 0 HZ3 LYS A 15 8.140 15.737 -6.068 1.00 24.12 H new ATOM 250 N ASP A 16 0.558 15.194 -4.098 1.00 11.20 N ATOM 251 CA ASP A 16 -0.820 15.421 -3.673 1.00 72.31 C ATOM 252 C ASP A 16 -1.636 15.241 -4.963 1.00 3.44 C ATOM 253 O ASP A 16 -1.956 16.207 -5.665 1.00 61.22 O ATOM 254 CB ASP A 16 -1.081 16.804 -3.029 1.00 64.11 C ATOM 255 CG ASP A 16 -1.085 16.837 -1.495 1.00 33.25 C ATOM 256 OD1 ASP A 16 -0.864 15.805 -0.806 1.00 42.54 O ATOM 257 OD2 ASP A 16 -1.174 17.944 -0.917 1.00 10.41 O ATOM 0 H ASP A 16 0.580 14.884 -5.070 1.00 11.20 H new ATOM 0 HA ASP A 16 -1.093 14.729 -2.876 1.00 72.31 H new ATOM 0 HB2 ASP A 16 -0.321 17.499 -3.386 1.00 64.11 H new ATOM 0 HB3 ASP A 16 -2.043 17.173 -3.384 1.00 64.11 H new ATOM 262 N GLU A 17 -1.909 14.000 -5.353 1.00 73.23 N ATOM 263 CA GLU A 17 -2.885 13.686 -6.370 1.00 70.11 C ATOM 264 C GLU A 17 -3.867 12.708 -5.740 1.00 71.50 C ATOM 265 O GLU A 17 -5.054 13.018 -5.663 1.00 1.01 O ATOM 266 CB GLU A 17 -2.158 13.177 -7.618 1.00 72.20 C ATOM 267 CG GLU A 17 -3.080 12.276 -8.439 1.00 45.42 C ATOM 268 CD GLU A 17 -2.515 11.904 -9.813 1.00 34.21 C ATOM 269 OE1 GLU A 17 -1.963 12.779 -10.515 1.00 74.03 O ATOM 270 OE2 GLU A 17 -2.627 10.723 -10.205 1.00 25.31 O ATOM 0 H GLU A 17 -1.448 13.179 -4.961 1.00 73.23 H new ATOM 0 HA GLU A 17 -3.459 14.546 -6.714 1.00 70.11 H new ATOM 0 HB2 GLU A 17 -1.828 14.021 -8.224 1.00 72.20 H new ATOM 0 HB3 GLU A 17 -1.264 12.625 -7.327 1.00 72.20 H new ATOM 0 HG2 GLU A 17 -3.275 11.363 -7.877 1.00 45.42 H new ATOM 0 HG3 GLU A 17 -4.038 12.778 -8.574 1.00 45.42 H new ATOM 277 N LEU A 18 -3.382 11.564 -5.237 1.00 0.20 N ATOM 278 CA LEU A 18 -4.257 10.700 -4.466 1.00 63.13 C ATOM 279 C LEU A 18 -4.583 11.390 -3.175 1.00 24.04 C ATOM 280 O LEU A 18 -3.822 12.199 -2.637 1.00 12.50 O ATOM 281 CB LEU A 18 -3.671 9.319 -4.174 1.00 24.23 C ATOM 282 CG LEU A 18 -3.882 8.414 -5.395 1.00 64.33 C ATOM 283 CD1 LEU A 18 -2.615 7.657 -5.648 1.00 22.04 C ATOM 284 CD2 LEU A 18 -5.092 7.485 -5.353 1.00 31.10 C ATOM 0 H LEU A 18 -2.424 11.233 -5.349 1.00 0.20 H new ATOM 0 HA LEU A 18 -5.148 10.524 -5.069 1.00 63.13 H new ATOM 0 HB2 LEU A 18 -2.608 9.402 -3.947 1.00 24.23 H new ATOM 0 HB3 LEU A 18 -4.151 8.885 -3.297 1.00 24.23 H new ATOM 0 HG LEU A 18 -4.124 9.079 -6.224 1.00 64.33 H new ATOM 0 HD11 LEU A 18 -2.746 7.007 -6.513 1.00 22.04 H new ATOM 0 HD12 LEU A 18 -1.804 8.359 -5.841 1.00 22.04 H new ATOM 0 HD13 LEU A 18 -2.372 7.053 -4.774 1.00 22.04 H new ATOM 0 HD21 LEU A 18 -5.132 6.898 -6.271 1.00 31.10 H new ATOM 0 HD22 LEU A 18 -5.007 6.815 -4.497 1.00 31.10 H new ATOM 0 HD23 LEU A 18 -6.002 8.077 -5.261 1.00 31.10 H new ATOM 296 N SER A 19 -5.699 10.950 -2.642 1.00 14.45 N ATOM 297 CA SER A 19 -6.261 11.493 -1.418 1.00 70.42 C ATOM 298 C SER A 19 -5.841 10.626 -0.235 1.00 23.42 C ATOM 299 O SER A 19 -5.094 9.659 -0.401 1.00 3.30 O ATOM 300 CB SER A 19 -7.780 11.600 -1.575 1.00 61.33 C ATOM 301 OG SER A 19 -8.103 12.668 -2.450 1.00 70.34 O ATOM 0 H SER A 19 -6.252 10.195 -3.048 1.00 14.45 H new ATOM 0 HA SER A 19 -5.882 12.496 -1.223 1.00 70.42 H new ATOM 0 HB2 SER A 19 -8.180 10.665 -1.966 1.00 61.33 H new ATOM 0 HB3 SER A 19 -8.244 11.763 -0.602 1.00 61.33 H new ATOM 0 HG SER A 19 -9.076 12.729 -2.547 1.00 70.34 H new ATOM 307 N ASP A 20 -6.297 10.973 0.965 1.00 21.33 N ATOM 308 CA ASP A 20 -6.294 10.081 2.122 1.00 63.23 C ATOM 309 C ASP A 20 -6.996 8.783 1.730 1.00 44.35 C ATOM 310 O ASP A 20 -6.322 7.776 1.515 1.00 33.41 O ATOM 311 CB ASP A 20 -6.861 10.741 3.395 1.00 3.32 C ATOM 312 CG ASP A 20 -7.962 11.773 3.170 1.00 54.30 C ATOM 313 OD1 ASP A 20 -8.873 11.496 2.360 1.00 64.13 O ATOM 314 OD2 ASP A 20 -7.923 12.848 3.816 1.00 13.25 O ATOM 0 H ASP A 20 -6.685 11.895 1.165 1.00 21.33 H new ATOM 0 HA ASP A 20 -5.266 9.847 2.399 1.00 63.23 H new ATOM 0 HB2 ASP A 20 -7.250 9.958 4.046 1.00 3.32 H new ATOM 0 HB3 ASP A 20 -6.041 11.222 3.929 1.00 3.32 H new ATOM 319 N ALA A 21 -8.317 8.823 1.558 1.00 30.13 N ATOM 320 CA ALA A 21 -9.125 7.650 1.254 1.00 42.44 C ATOM 321 C ALA A 21 -8.721 6.981 -0.067 1.00 45.54 C ATOM 322 O ALA A 21 -8.649 5.759 -0.143 1.00 64.42 O ATOM 323 CB ALA A 21 -10.595 8.071 1.226 1.00 75.25 C ATOM 0 H ALA A 21 -8.860 9.684 1.627 1.00 30.13 H new ATOM 0 HA ALA A 21 -8.959 6.903 2.030 1.00 42.44 H new ATOM 0 HB1 ALA A 21 -11.217 7.205 1.000 1.00 75.25 H new ATOM 0 HB2 ALA A 21 -10.876 8.476 2.198 1.00 75.25 H new ATOM 0 HB3 ALA A 21 -10.741 8.833 0.460 1.00 75.25 H new ATOM 329 N GLU A 22 -8.462 7.761 -1.119 1.00 62.33 N ATOM 330 CA GLU A 22 -8.208 7.194 -2.443 1.00 43.43 C ATOM 331 C GLU A 22 -6.840 6.510 -2.510 1.00 64.22 C ATOM 332 O GLU A 22 -6.721 5.497 -3.194 1.00 54.25 O ATOM 333 CB GLU A 22 -8.327 8.258 -3.543 1.00 1.35 C ATOM 334 CG GLU A 22 -9.742 8.852 -3.667 1.00 40.34 C ATOM 335 CD GLU A 22 -10.425 8.458 -4.983 1.00 73.33 C ATOM 336 OE1 GLU A 22 -10.444 7.260 -5.358 1.00 40.41 O ATOM 337 OE2 GLU A 22 -10.944 9.368 -5.656 1.00 11.12 O ATOM 0 H GLU A 22 -8.423 8.779 -1.080 1.00 62.33 H new ATOM 0 HA GLU A 22 -8.974 6.438 -2.616 1.00 43.43 H new ATOM 0 HB2 GLU A 22 -7.620 9.062 -3.339 1.00 1.35 H new ATOM 0 HB3 GLU A 22 -8.041 7.817 -4.498 1.00 1.35 H new ATOM 0 HG2 GLU A 22 -10.351 8.513 -2.829 1.00 40.34 H new ATOM 0 HG3 GLU A 22 -9.685 9.938 -3.601 1.00 40.34 H new ATOM 344 N ALA A 23 -5.812 7.011 -1.800 1.00 21.40 N ATOM 345 CA ALA A 23 -4.501 6.358 -1.826 1.00 41.13 C ATOM 346 C ALA A 23 -4.615 4.920 -1.274 1.00 44.32 C ATOM 347 O ALA A 23 -3.928 4.015 -1.750 1.00 51.25 O ATOM 348 CB ALA A 23 -3.477 7.109 -0.966 1.00 34.32 C ATOM 0 H ALA A 23 -5.865 7.846 -1.216 1.00 21.40 H new ATOM 0 HA ALA A 23 -4.167 6.353 -2.864 1.00 41.13 H new ATOM 0 HB1 ALA A 23 -2.517 6.594 -1.011 1.00 34.32 H new ATOM 0 HB2 ALA A 23 -3.362 8.125 -1.342 1.00 34.32 H new ATOM 0 HB3 ALA A 23 -3.824 7.142 0.067 1.00 34.32 H new ATOM 354 N ASN A 24 -5.464 4.727 -0.248 1.00 34.24 N ATOM 355 CA ASN A 24 -5.707 3.430 0.387 1.00 60.41 C ATOM 356 C ASN A 24 -6.237 2.433 -0.647 1.00 34.42 C ATOM 357 O ASN A 24 -5.812 1.276 -0.643 1.00 0.23 O ATOM 358 CB ASN A 24 -6.701 3.512 1.574 1.00 12.12 C ATOM 359 CG ASN A 24 -6.252 4.232 2.852 1.00 15.31 C ATOM 360 OD1 ASN A 24 -5.250 4.941 2.911 1.00 2.23 O ATOM 361 ND2 ASN A 24 -6.953 4.021 3.958 1.00 31.21 N ATOM 0 H ASN A 24 -6.007 5.485 0.166 1.00 34.24 H new ATOM 0 HA ASN A 24 -4.750 3.095 0.787 1.00 60.41 H new ATOM 0 HB2 ASN A 24 -7.606 4.003 1.216 1.00 12.12 H new ATOM 0 HB3 ASN A 24 -6.978 2.494 1.846 1.00 12.12 H new ATOM 0 HD21 ASN A 24 -6.657 4.444 4.838 1.00 31.21 H new ATOM 0 HD22 ASN A 24 -7.788 3.435 3.929 1.00 31.21 H new ATOM 368 N ALA A 25 -7.134 2.882 -1.533 1.00 60.55 N ATOM 369 CA ALA A 25 -7.822 2.038 -2.500 1.00 61.04 C ATOM 370 C ALA A 25 -6.853 1.223 -3.353 1.00 12.15 C ATOM 371 O ALA A 25 -7.079 0.031 -3.550 1.00 24.32 O ATOM 372 CB ALA A 25 -8.740 2.883 -3.386 1.00 51.23 C ATOM 0 H ALA A 25 -7.403 3.864 -1.594 1.00 60.55 H new ATOM 0 HA ALA A 25 -8.426 1.327 -1.936 1.00 61.04 H new ATOM 0 HB1 ALA A 25 -9.247 2.238 -4.104 1.00 51.23 H new ATOM 0 HB2 ALA A 25 -9.480 3.388 -2.766 1.00 51.23 H new ATOM 0 HB3 ALA A 25 -8.147 3.625 -3.921 1.00 51.23 H new ATOM 378 N LEU A 26 -5.767 1.828 -3.849 1.00 33.44 N ATOM 379 CA LEU A 26 -4.819 1.154 -4.728 1.00 72.34 C ATOM 380 C LEU A 26 -4.130 -0.031 -4.044 1.00 44.43 C ATOM 381 O LEU A 26 -3.721 -0.982 -4.714 1.00 32.32 O ATOM 382 CB LEU A 26 -3.754 2.129 -5.228 1.00 23.32 C ATOM 383 CG LEU A 26 -4.270 3.394 -5.931 1.00 21.10 C ATOM 384 CD1 LEU A 26 -3.067 4.236 -6.354 1.00 11.11 C ATOM 385 CD2 LEU A 26 -5.112 3.074 -7.168 1.00 14.43 C ATOM 0 H LEU A 26 -5.526 2.799 -3.649 1.00 33.44 H new ATOM 0 HA LEU A 26 -5.398 0.773 -5.570 1.00 72.34 H new ATOM 0 HB2 LEU A 26 -3.143 2.434 -4.379 1.00 23.32 H new ATOM 0 HB3 LEU A 26 -3.099 1.597 -5.918 1.00 23.32 H new ATOM 0 HG LEU A 26 -4.909 3.931 -5.231 1.00 21.10 H new ATOM 0 HD11 LEU A 26 -3.414 5.140 -6.856 1.00 11.11 H new ATOM 0 HD12 LEU A 26 -2.487 4.510 -5.473 1.00 11.11 H new ATOM 0 HD13 LEU A 26 -2.441 3.660 -7.036 1.00 11.11 H new ATOM 0 HD21 LEU A 26 -5.452 4.002 -7.627 1.00 14.43 H new ATOM 0 HD22 LEU A 26 -4.509 2.515 -7.884 1.00 14.43 H new ATOM 0 HD23 LEU A 26 -5.976 2.477 -6.876 1.00 14.43 H new ATOM 397 N VAL A 27 -3.999 -0.003 -2.718 1.00 72.13 N ATOM 398 CA VAL A 27 -3.498 -1.136 -1.948 1.00 52.34 C ATOM 399 C VAL A 27 -4.580 -2.218 -1.896 1.00 43.32 C ATOM 400 O VAL A 27 -4.294 -3.392 -2.140 1.00 73.23 O ATOM 401 CB VAL A 27 -3.085 -0.688 -0.534 1.00 21.44 C ATOM 402 CG1 VAL A 27 -2.310 -1.807 0.178 1.00 41.11 C ATOM 403 CG2 VAL A 27 -2.214 0.575 -0.539 1.00 24.31 C ATOM 0 H VAL A 27 -4.238 0.809 -2.148 1.00 72.13 H new ATOM 0 HA VAL A 27 -2.610 -1.546 -2.430 1.00 52.34 H new ATOM 0 HB VAL A 27 -4.011 -0.462 -0.006 1.00 21.44 H new ATOM 0 HG11 VAL A 27 -2.025 -1.474 1.176 1.00 41.11 H new ATOM 0 HG12 VAL A 27 -2.940 -2.693 0.257 1.00 41.11 H new ATOM 0 HG13 VAL A 27 -1.414 -2.049 -0.393 1.00 41.11 H new ATOM 0 HG21 VAL A 27 -1.954 0.842 0.485 1.00 24.31 H new ATOM 0 HG22 VAL A 27 -1.303 0.386 -1.107 1.00 24.31 H new ATOM 0 HG23 VAL A 27 -2.765 1.395 -0.999 1.00 24.31 H new ATOM 413 N TRP A 28 -5.825 -1.827 -1.607 1.00 32.10 N ATOM 414 CA TRP A 28 -6.960 -2.733 -1.508 1.00 34.42 C ATOM 415 C TRP A 28 -7.097 -3.551 -2.794 1.00 72.00 C ATOM 416 O TRP A 28 -7.111 -4.787 -2.727 1.00 22.44 O ATOM 417 CB TRP A 28 -8.238 -1.948 -1.171 1.00 12.11 C ATOM 418 CG TRP A 28 -8.213 -1.058 0.041 1.00 45.43 C ATOM 419 CD1 TRP A 28 -7.322 -1.121 1.057 1.00 51.24 C ATOM 420 CD2 TRP A 28 -9.136 0.020 0.397 1.00 64.40 C ATOM 421 NE1 TRP A 28 -7.667 -0.220 2.043 1.00 31.14 N ATOM 422 CE2 TRP A 28 -8.779 0.506 1.687 1.00 31.00 C ATOM 423 CE3 TRP A 28 -10.247 0.632 -0.223 1.00 62.14 C ATOM 424 CZ2 TRP A 28 -9.519 1.490 2.352 1.00 12.32 C ATOM 425 CZ3 TRP A 28 -10.969 1.663 0.408 1.00 53.15 C ATOM 426 CH2 TRP A 28 -10.610 2.088 1.699 1.00 31.42 C ATOM 0 H TRP A 28 -6.071 -0.852 -1.433 1.00 32.10 H new ATOM 0 HA TRP A 28 -6.793 -3.439 -0.695 1.00 34.42 H new ATOM 0 HB2 TRP A 28 -8.491 -1.332 -2.034 1.00 12.11 H new ATOM 0 HB3 TRP A 28 -9.048 -2.666 -1.043 1.00 12.11 H new ATOM 0 HD1 TRP A 28 -6.467 -1.780 1.091 1.00 51.24 H new ATOM 0 HE1 TRP A 28 -7.162 -0.107 2.922 1.00 31.14 H new ATOM 0 HE3 TRP A 28 -10.550 0.301 -1.205 1.00 62.14 H new ATOM 0 HZ2 TRP A 28 -9.254 1.787 3.356 1.00 12.32 H new ATOM 0 HZ3 TRP A 28 -11.800 2.128 -0.101 1.00 53.15 H new ATOM 0 HH2 TRP A 28 -11.171 2.871 2.187 1.00 31.42 H new ATOM 437 N GLN A 29 -7.105 -2.885 -3.957 1.00 42.03 N ATOM 438 CA GLN A 29 -7.151 -3.576 -5.246 1.00 2.43 C ATOM 439 C GLN A 29 -5.952 -4.510 -5.442 1.00 22.33 C ATOM 440 O GLN A 29 -6.143 -5.630 -5.905 1.00 70.05 O ATOM 441 CB GLN A 29 -7.306 -2.602 -6.432 1.00 1.05 C ATOM 442 CG GLN A 29 -6.267 -1.493 -6.500 1.00 64.33 C ATOM 443 CD GLN A 29 -6.282 -0.641 -7.766 1.00 11.02 C ATOM 444 OE1 GLN A 29 -5.256 -0.106 -8.170 1.00 2.44 O ATOM 445 NE2 GLN A 29 -7.417 -0.442 -8.404 1.00 44.23 N ATOM 0 H GLN A 29 -7.080 -1.868 -4.028 1.00 42.03 H new ATOM 0 HA GLN A 29 -8.047 -4.197 -5.226 1.00 2.43 H new ATOM 0 HB2 GLN A 29 -7.265 -3.174 -7.359 1.00 1.05 H new ATOM 0 HB3 GLN A 29 -8.296 -2.148 -6.382 1.00 1.05 H new ATOM 0 HG2 GLN A 29 -6.409 -0.836 -5.642 1.00 64.33 H new ATOM 0 HG3 GLN A 29 -5.279 -1.941 -6.399 1.00 64.33 H new ATOM 0 HE21 GLN A 29 -8.273 -0.885 -8.072 1.00 44.23 H new ATOM 0 HE22 GLN A 29 -7.439 0.155 -9.231 1.00 44.23 H new ATOM 454 N ALA A 30 -4.730 -4.075 -5.107 1.00 54.12 N ATOM 455 CA ALA A 30 -3.504 -4.829 -5.356 1.00 23.03 C ATOM 456 C ALA A 30 -3.558 -6.217 -4.717 1.00 44.44 C ATOM 457 O ALA A 30 -3.247 -7.213 -5.382 1.00 62.45 O ATOM 458 CB ALA A 30 -2.297 -4.039 -4.842 1.00 21.51 C ATOM 0 H ALA A 30 -4.568 -3.178 -4.650 1.00 54.12 H new ATOM 0 HA ALA A 30 -3.403 -4.974 -6.432 1.00 23.03 H new ATOM 0 HB1 ALA A 30 -1.385 -4.605 -5.030 1.00 21.51 H new ATOM 0 HB2 ALA A 30 -2.242 -3.081 -5.359 1.00 21.51 H new ATOM 0 HB3 ALA A 30 -2.404 -3.868 -3.771 1.00 21.51 H new ATOM 464 N LEU A 31 -3.958 -6.277 -3.442 1.00 22.42 N ATOM 465 CA LEU A 31 -4.219 -7.550 -2.779 1.00 22.20 C ATOM 466 C LEU A 31 -5.371 -8.235 -3.494 1.00 23.33 C ATOM 467 O LEU A 31 -5.187 -9.323 -4.037 1.00 71.15 O ATOM 468 CB LEU A 31 -4.511 -7.387 -1.275 1.00 60.21 C ATOM 469 CG LEU A 31 -3.284 -7.137 -0.375 1.00 63.51 C ATOM 470 CD1 LEU A 31 -2.071 -7.999 -0.740 1.00 55.24 C ATOM 471 CD2 LEU A 31 -2.903 -5.658 -0.363 1.00 33.34 C ATOM 0 H LEU A 31 -4.107 -5.458 -2.853 1.00 22.42 H new ATOM 0 HA LEU A 31 -3.321 -8.166 -2.839 1.00 22.20 H new ATOM 0 HB2 LEU A 31 -5.206 -6.557 -1.147 1.00 60.21 H new ATOM 0 HB3 LEU A 31 -5.018 -8.285 -0.923 1.00 60.21 H new ATOM 0 HG LEU A 31 -3.587 -7.437 0.628 1.00 63.51 H new ATOM 0 HD11 LEU A 31 -1.246 -7.770 -0.066 1.00 55.24 H new ATOM 0 HD12 LEU A 31 -2.333 -9.053 -0.648 1.00 55.24 H new ATOM 0 HD13 LEU A 31 -1.770 -7.788 -1.766 1.00 55.24 H new ATOM 0 HD21 LEU A 31 -2.035 -5.511 0.280 1.00 33.34 H new ATOM 0 HD22 LEU A 31 -2.663 -5.336 -1.376 1.00 33.34 H new ATOM 0 HD23 LEU A 31 -3.739 -5.070 0.016 1.00 33.34 H new ATOM 483 N GLY A 32 -6.531 -7.582 -3.548 1.00 13.22 N ATOM 484 CA GLY A 32 -7.674 -8.079 -4.302 1.00 2.30 C ATOM 485 C GLY A 32 -9.011 -7.676 -3.691 1.00 63.35 C ATOM 486 O GLY A 32 -10.037 -8.041 -4.261 1.00 43.22 O ATOM 0 H GLY A 32 -6.702 -6.697 -3.071 1.00 13.22 H new ATOM 0 HA2 GLY A 32 -7.620 -7.703 -5.324 1.00 2.30 H new ATOM 0 HA3 GLY A 32 -7.620 -9.166 -4.359 1.00 2.30 H new ATOM 490 N TYR A 33 -9.036 -6.948 -2.571 1.00 53.30 N ATOM 491 CA TYR A 33 -10.237 -6.430 -1.906 1.00 45.33 C ATOM 492 C TYR A 33 -10.872 -5.265 -2.686 1.00 41.13 C ATOM 493 O TYR A 33 -11.012 -4.145 -2.190 1.00 34.03 O ATOM 494 CB TYR A 33 -9.902 -5.994 -0.473 1.00 41.25 C ATOM 495 CG TYR A 33 -9.109 -6.976 0.363 1.00 42.22 C ATOM 496 CD1 TYR A 33 -9.762 -7.951 1.143 1.00 11.35 C ATOM 497 CD2 TYR A 33 -7.716 -6.807 0.464 1.00 21.14 C ATOM 498 CE1 TYR A 33 -9.036 -8.672 2.111 1.00 22.24 C ATOM 499 CE2 TYR A 33 -6.975 -7.554 1.391 1.00 22.42 C ATOM 500 CZ TYR A 33 -7.645 -8.443 2.263 1.00 44.35 C ATOM 501 OH TYR A 33 -6.938 -9.031 3.261 1.00 74.41 O ATOM 0 H TYR A 33 -8.180 -6.691 -2.080 1.00 53.30 H new ATOM 0 HA TYR A 33 -10.969 -7.237 -1.875 1.00 45.33 H new ATOM 0 HB2 TYR A 33 -9.344 -5.059 -0.522 1.00 41.25 H new ATOM 0 HB3 TYR A 33 -10.836 -5.780 0.046 1.00 41.25 H new ATOM 0 HD1 TYR A 33 -10.815 -8.145 0.999 1.00 11.35 H new ATOM 0 HD2 TYR A 33 -7.214 -6.097 -0.177 1.00 21.14 H new ATOM 0 HE1 TYR A 33 -9.537 -9.397 2.735 1.00 22.24 H new ATOM 0 HE2 TYR A 33 -5.901 -7.451 1.439 1.00 22.42 H new ATOM 0 HH TYR A 33 -7.116 -8.567 4.106 1.00 74.41 H new ATOM 511 N VAL A 34 -11.221 -5.506 -3.945 1.00 30.22 N ATOM 512 CA VAL A 34 -11.989 -4.577 -4.765 1.00 71.41 C ATOM 513 C VAL A 34 -13.386 -4.513 -4.146 1.00 73.32 C ATOM 514 O VAL A 34 -13.857 -5.535 -3.647 1.00 3.11 O ATOM 515 CB VAL A 34 -12.002 -5.053 -6.233 1.00 43.23 C ATOM 516 CG1 VAL A 34 -12.625 -4.020 -7.180 1.00 2.23 C ATOM 517 CG2 VAL A 34 -10.586 -5.355 -6.758 1.00 14.20 C ATOM 0 H VAL A 34 -10.974 -6.367 -4.432 1.00 30.22 H new ATOM 0 HA VAL A 34 -11.552 -3.578 -4.783 1.00 71.41 H new ATOM 0 HB VAL A 34 -12.605 -5.961 -6.225 1.00 43.23 H new ATOM 0 HG11 VAL A 34 -12.609 -4.405 -8.200 1.00 2.23 H new ATOM 0 HG12 VAL A 34 -13.655 -3.827 -6.881 1.00 2.23 H new ATOM 0 HG13 VAL A 34 -12.054 -3.093 -7.133 1.00 2.23 H new ATOM 0 HG21 VAL A 34 -10.645 -5.687 -7.795 1.00 14.20 H new ATOM 0 HG22 VAL A 34 -9.976 -4.453 -6.700 1.00 14.20 H new ATOM 0 HG23 VAL A 34 -10.133 -6.139 -6.152 1.00 14.20 H new ATOM 527 N TRP A 35 -14.058 -3.360 -4.144 1.00 14.33 N ATOM 528 CA TRP A 35 -15.495 -3.346 -3.872 1.00 35.04 C ATOM 529 C TRP A 35 -16.194 -3.920 -5.108 1.00 32.42 C ATOM 530 O TRP A 35 -16.052 -3.376 -6.207 1.00 71.32 O ATOM 531 CB TRP A 35 -15.994 -1.923 -3.580 1.00 62.04 C ATOM 532 CG TRP A 35 -17.490 -1.827 -3.513 1.00 23.35 C ATOM 533 CD1 TRP A 35 -18.298 -1.423 -4.519 1.00 61.34 C ATOM 534 CD2 TRP A 35 -18.382 -2.176 -2.412 1.00 72.44 C ATOM 535 NE1 TRP A 35 -19.619 -1.464 -4.123 1.00 30.41 N ATOM 536 CE2 TRP A 35 -19.725 -1.928 -2.829 1.00 72.43 C ATOM 537 CE3 TRP A 35 -18.199 -2.666 -1.100 1.00 11.14 C ATOM 538 CZ2 TRP A 35 -20.820 -2.152 -1.987 1.00 53.43 C ATOM 539 CZ3 TRP A 35 -19.293 -2.870 -0.239 1.00 31.23 C ATOM 540 CH2 TRP A 35 -20.600 -2.600 -0.676 1.00 41.34 C ATOM 0 H TRP A 35 -13.643 -2.446 -4.323 1.00 14.33 H new ATOM 0 HA TRP A 35 -15.717 -3.943 -2.988 1.00 35.04 H new ATOM 0 HB2 TRP A 35 -15.571 -1.583 -2.635 1.00 62.04 H new ATOM 0 HB3 TRP A 35 -15.627 -1.249 -4.354 1.00 62.04 H new ATOM 0 HD1 TRP A 35 -17.957 -1.112 -5.495 1.00 61.34 H new ATOM 0 HE1 TRP A 35 -20.409 -1.189 -4.707 1.00 30.41 H new ATOM 0 HE3 TRP A 35 -17.201 -2.888 -0.751 1.00 11.14 H new ATOM 0 HZ2 TRP A 35 -21.825 -1.982 -2.343 1.00 53.43 H new ATOM 0 HZ3 TRP A 35 -19.127 -3.236 0.763 1.00 31.23 H new ATOM 0 HH2 TRP A 35 -21.434 -2.737 -0.004 1.00 41.34 H new ATOM 551 N ASP A 36 -16.921 -5.028 -4.973 1.00 65.33 N ATOM 552 CA ASP A 36 -17.782 -5.531 -6.043 1.00 60.11 C ATOM 553 C ASP A 36 -19.199 -5.068 -5.813 1.00 11.43 C ATOM 554 O ASP A 36 -19.886 -5.587 -4.945 1.00 32.51 O ATOM 555 CB ASP A 36 -17.728 -7.057 -6.233 1.00 41.40 C ATOM 556 CG ASP A 36 -17.778 -7.447 -7.721 1.00 12.53 C ATOM 557 OD1 ASP A 36 -17.299 -6.659 -8.571 1.00 42.31 O ATOM 558 OD2 ASP A 36 -18.208 -8.581 -8.047 1.00 11.24 O ATOM 0 H ASP A 36 -16.931 -5.598 -4.127 1.00 65.33 H new ATOM 0 HA ASP A 36 -17.396 -5.114 -6.973 1.00 60.11 H new ATOM 0 HB2 ASP A 36 -16.814 -7.447 -5.785 1.00 41.40 H new ATOM 0 HB3 ASP A 36 -18.564 -7.519 -5.707 1.00 41.40 H new ATOM 563 N GLU A 37 -19.634 -4.075 -6.575 1.00 51.14 N ATOM 564 CA GLU A 37 -20.960 -3.484 -6.494 1.00 65.44 C ATOM 565 C GLU A 37 -22.061 -4.526 -6.677 1.00 61.45 C ATOM 566 O GLU A 37 -23.054 -4.484 -5.952 1.00 43.12 O ATOM 567 CB GLU A 37 -21.007 -2.368 -7.544 1.00 12.25 C ATOM 568 CG GLU A 37 -22.419 -1.871 -7.869 1.00 52.43 C ATOM 569 CD GLU A 37 -22.343 -0.453 -8.423 1.00 50.04 C ATOM 570 OE1 GLU A 37 -21.837 -0.237 -9.549 1.00 53.43 O ATOM 571 OE2 GLU A 37 -22.711 0.471 -7.667 1.00 40.35 O ATOM 0 H GLU A 37 -19.051 -3.644 -7.292 1.00 51.14 H new ATOM 0 HA GLU A 37 -21.144 -3.068 -5.503 1.00 65.44 H new ATOM 0 HB2 GLU A 37 -20.410 -1.527 -7.191 1.00 12.25 H new ATOM 0 HB3 GLU A 37 -20.540 -2.727 -8.461 1.00 12.25 H new ATOM 0 HG2 GLU A 37 -22.891 -2.532 -8.596 1.00 52.43 H new ATOM 0 HG3 GLU A 37 -23.038 -1.890 -6.972 1.00 52.43 H new ATOM 578 N ALA A 38 -21.867 -5.487 -7.587 1.00 1.41 N ATOM 579 CA ALA A 38 -22.871 -6.499 -7.894 1.00 31.51 C ATOM 580 C ALA A 38 -23.164 -7.337 -6.654 1.00 12.43 C ATOM 581 O ALA A 38 -24.315 -7.625 -6.332 1.00 50.22 O ATOM 582 CB ALA A 38 -22.353 -7.395 -9.018 1.00 41.34 C ATOM 0 H ALA A 38 -21.008 -5.581 -8.129 1.00 1.41 H new ATOM 0 HA ALA A 38 -23.793 -6.011 -8.212 1.00 31.51 H new ATOM 0 HB1 ALA A 38 -23.100 -8.154 -9.252 1.00 41.34 H new ATOM 0 HB2 ALA A 38 -22.159 -6.791 -9.905 1.00 41.34 H new ATOM 0 HB3 ALA A 38 -21.430 -7.880 -8.701 1.00 41.34 H new ATOM 588 N GLN A 39 -22.097 -7.707 -5.947 1.00 24.32 N ATOM 589 CA GLN A 39 -22.187 -8.472 -4.719 1.00 44.54 C ATOM 590 C GLN A 39 -22.453 -7.548 -3.526 1.00 32.32 C ATOM 591 O GLN A 39 -22.794 -8.029 -2.440 1.00 73.43 O ATOM 592 CB GLN A 39 -20.906 -9.304 -4.547 1.00 21.32 C ATOM 593 CG GLN A 39 -20.708 -10.250 -5.734 1.00 3.34 C ATOM 594 CD GLN A 39 -19.495 -11.160 -5.583 1.00 64.21 C ATOM 595 OE1 GLN A 39 -19.500 -12.096 -4.784 1.00 73.44 O ATOM 596 NE2 GLN A 39 -18.456 -10.931 -6.371 1.00 5.12 N ATOM 0 H GLN A 39 -21.141 -7.479 -6.219 1.00 24.32 H new ATOM 0 HA GLN A 39 -23.030 -9.161 -4.770 1.00 44.54 H new ATOM 0 HB2 GLN A 39 -20.046 -8.641 -4.457 1.00 21.32 H new ATOM 0 HB3 GLN A 39 -20.962 -9.880 -3.623 1.00 21.32 H new ATOM 0 HG2 GLN A 39 -21.601 -10.863 -5.854 1.00 3.34 H new ATOM 0 HG3 GLN A 39 -20.601 -9.661 -6.645 1.00 3.34 H new ATOM 0 HE21 GLN A 39 -18.475 -10.149 -7.025 1.00 5.12 H new ATOM 0 HE22 GLN A 39 -17.637 -11.537 -6.324 1.00 5.12 H new ATOM 605 N SER A 40 -22.245 -6.243 -3.730 1.00 64.45 N ATOM 606 CA SER A 40 -22.099 -5.191 -2.759 1.00 65.14 C ATOM 607 C SER A 40 -21.193 -5.655 -1.617 1.00 52.50 C ATOM 608 O SER A 40 -21.575 -5.535 -0.455 1.00 3.30 O ATOM 609 CB SER A 40 -23.468 -4.630 -2.376 1.00 4.44 C ATOM 610 OG SER A 40 -24.083 -4.005 -3.497 1.00 71.04 O ATOM 0 H SER A 40 -22.170 -5.877 -4.679 1.00 64.45 H new ATOM 0 HA SER A 40 -21.576 -4.330 -3.175 1.00 65.14 H new ATOM 0 HB2 SER A 40 -24.105 -5.433 -2.005 1.00 4.44 H new ATOM 0 HB3 SER A 40 -23.358 -3.909 -1.566 1.00 4.44 H new ATOM 0 HG SER A 40 -23.555 -4.185 -4.303 1.00 71.04 H new ATOM 616 N CYS A 41 -20.016 -6.231 -1.919 1.00 13.14 N ATOM 617 CA CYS A 41 -19.069 -6.626 -0.880 1.00 11.10 C ATOM 618 C CYS A 41 -17.627 -6.513 -1.358 1.00 54.11 C ATOM 619 O CYS A 41 -17.328 -6.545 -2.552 1.00 51.34 O ATOM 620 CB CYS A 41 -19.307 -8.086 -0.453 1.00 61.51 C ATOM 621 SG CYS A 41 -20.804 -8.273 0.545 1.00 25.24 S ATOM 0 H CYS A 41 -19.706 -6.429 -2.870 1.00 13.14 H new ATOM 0 HA CYS A 41 -19.230 -5.949 -0.041 1.00 11.10 H new ATOM 0 HB2 CYS A 41 -19.384 -8.714 -1.341 1.00 61.51 H new ATOM 0 HB3 CYS A 41 -18.447 -8.441 0.115 1.00 61.51 H new ATOM 0 HG CYS A 41 -21.522 -7.193 0.457 1.00 25.24 H new ATOM 627 N TRP A 42 -16.723 -6.489 -0.388 1.00 3.40 N ATOM 628 CA TRP A 42 -15.282 -6.531 -0.558 1.00 44.31 C ATOM 629 C TRP A 42 -14.876 -7.903 -1.087 1.00 10.32 C ATOM 630 O TRP A 42 -15.091 -8.910 -0.414 1.00 21.00 O ATOM 631 CB TRP A 42 -14.624 -6.231 0.796 1.00 63.35 C ATOM 632 CG TRP A 42 -14.969 -4.878 1.338 1.00 41.33 C ATOM 633 CD1 TRP A 42 -15.713 -4.610 2.436 1.00 34.01 C ATOM 634 CD2 TRP A 42 -14.642 -3.585 0.751 1.00 51.22 C ATOM 635 NE1 TRP A 42 -15.868 -3.242 2.554 1.00 35.23 N ATOM 636 CE2 TRP A 42 -15.165 -2.558 1.587 1.00 35.40 C ATOM 637 CE3 TRP A 42 -13.954 -3.176 -0.411 1.00 35.02 C ATOM 638 CZ2 TRP A 42 -14.978 -1.196 1.320 1.00 62.45 C ATOM 639 CZ3 TRP A 42 -13.766 -1.809 -0.686 1.00 65.53 C ATOM 640 CH2 TRP A 42 -14.267 -0.818 0.171 1.00 33.33 C ATOM 0 H TRP A 42 -16.994 -6.437 0.594 1.00 3.40 H new ATOM 0 HA TRP A 42 -14.952 -5.784 -1.280 1.00 44.31 H new ATOM 0 HB2 TRP A 42 -14.928 -6.991 1.516 1.00 63.35 H new ATOM 0 HB3 TRP A 42 -13.542 -6.307 0.690 1.00 63.35 H new ATOM 0 HD1 TRP A 42 -16.120 -5.347 3.112 1.00 34.01 H new ATOM 0 HE1 TRP A 42 -16.436 -2.792 3.272 1.00 35.23 H new ATOM 0 HE3 TRP A 42 -13.569 -3.918 -1.095 1.00 35.02 H new ATOM 0 HZ2 TRP A 42 -15.375 -0.447 1.989 1.00 62.45 H new ATOM 0 HZ3 TRP A 42 -13.225 -1.517 -1.574 1.00 65.53 H new ATOM 0 HH2 TRP A 42 -14.107 0.227 -0.052 1.00 33.33 H new ATOM 651 N LYS A 43 -14.319 -7.956 -2.297 1.00 71.40 N ATOM 652 CA LYS A 43 -13.932 -9.199 -2.944 1.00 1.23 C ATOM 653 C LYS A 43 -12.932 -9.932 -2.082 1.00 0.54 C ATOM 654 O LYS A 43 -11.929 -9.368 -1.648 1.00 54.24 O ATOM 655 CB LYS A 43 -13.306 -8.953 -4.309 1.00 23.21 C ATOM 656 CG LYS A 43 -14.346 -8.520 -5.331 1.00 51.12 C ATOM 657 CD LYS A 43 -13.734 -8.630 -6.724 1.00 2.42 C ATOM 658 CE LYS A 43 -14.658 -7.841 -7.655 1.00 64.14 C ATOM 659 NZ LYS A 43 -14.049 -7.437 -8.940 1.00 22.21 N ATOM 0 H LYS A 43 -14.124 -7.126 -2.857 1.00 71.40 H new ATOM 0 HA LYS A 43 -14.836 -9.794 -3.077 1.00 1.23 H new ATOM 0 HB2 LYS A 43 -12.537 -8.186 -4.224 1.00 23.21 H new ATOM 0 HB3 LYS A 43 -12.813 -9.862 -4.653 1.00 23.21 H new ATOM 0 HG2 LYS A 43 -15.234 -9.148 -5.257 1.00 51.12 H new ATOM 0 HG3 LYS A 43 -14.664 -7.495 -5.137 1.00 51.12 H new ATOM 0 HD2 LYS A 43 -12.724 -8.222 -6.739 1.00 2.42 H new ATOM 0 HD3 LYS A 43 -13.662 -9.672 -7.037 1.00 2.42 H new ATOM 0 HE2 LYS A 43 -15.542 -8.444 -7.862 1.00 64.14 H new ATOM 0 HE3 LYS A 43 -14.998 -6.946 -7.133 1.00 64.14 H new ATOM 0 HZ1 LYS A 43 -14.746 -6.909 -9.504 1.00 22.21 H new ATOM 0 HZ2 LYS A 43 -13.222 -6.833 -8.758 1.00 22.21 H new ATOM 0 HZ3 LYS A 43 -13.750 -8.284 -9.464 1.00 22.21 H new ATOM 673 N THR A 44 -13.132 -11.229 -1.977 1.00 52.43 N ATOM 674 CA THR A 44 -12.177 -12.126 -1.366 1.00 32.32 C ATOM 675 C THR A 44 -12.108 -13.388 -2.218 1.00 22.30 C ATOM 676 O THR A 44 -12.272 -14.488 -1.709 1.00 15.55 O ATOM 677 CB THR A 44 -12.416 -12.310 0.154 1.00 25.50 C ATOM 678 OG1 THR A 44 -13.770 -12.568 0.464 1.00 30.31 O ATOM 679 CG2 THR A 44 -12.033 -11.048 0.941 1.00 12.41 C ATOM 0 H THR A 44 -13.973 -11.694 -2.318 1.00 52.43 H new ATOM 0 HA THR A 44 -11.173 -11.701 -1.365 1.00 32.32 H new ATOM 0 HB THR A 44 -11.794 -13.160 0.433 1.00 25.50 H new ATOM 0 HG1 THR A 44 -13.869 -12.678 1.433 1.00 30.31 H new ATOM 0 HG21 THR A 44 -12.214 -11.213 2.003 1.00 12.41 H new ATOM 0 HG22 THR A 44 -10.978 -10.827 0.782 1.00 12.41 H new ATOM 0 HG23 THR A 44 -12.636 -10.208 0.597 1.00 12.41 H new ATOM 687 N ASP A 45 -11.814 -13.203 -3.509 1.00 71.43 N ATOM 688 CA ASP A 45 -11.493 -14.272 -4.454 1.00 61.14 C ATOM 689 C ASP A 45 -10.028 -14.157 -4.856 1.00 63.42 C ATOM 690 O ASP A 45 -9.210 -15.036 -4.583 1.00 12.44 O ATOM 691 CB ASP A 45 -12.385 -14.175 -5.704 1.00 62.14 C ATOM 692 CG ASP A 45 -13.684 -14.964 -5.634 1.00 12.11 C ATOM 693 OD1 ASP A 45 -13.972 -15.591 -4.590 1.00 71.03 O ATOM 694 OD2 ASP A 45 -14.410 -14.976 -6.655 1.00 61.21 O ATOM 0 H ASP A 45 -11.793 -12.277 -3.936 1.00 71.43 H new ATOM 0 HA ASP A 45 -11.673 -15.236 -3.977 1.00 61.14 H new ATOM 0 HB2 ASP A 45 -12.624 -13.126 -5.880 1.00 62.14 H new ATOM 0 HB3 ASP A 45 -11.814 -14.521 -6.566 1.00 62.14 H new ATOM 699 N LEU A 46 -9.670 -13.049 -5.508 1.00 5.15 N ATOM 700 CA LEU A 46 -8.413 -12.989 -6.247 1.00 32.15 C ATOM 701 C LEU A 46 -7.231 -12.642 -5.336 1.00 71.44 C ATOM 702 O LEU A 46 -6.091 -12.611 -5.780 1.00 61.23 O ATOM 703 CB LEU A 46 -8.536 -11.999 -7.407 1.00 11.32 C ATOM 704 CG LEU A 46 -9.775 -12.188 -8.297 1.00 43.14 C ATOM 705 CD1 LEU A 46 -9.748 -11.092 -9.362 1.00 34.54 C ATOM 706 CD2 LEU A 46 -9.836 -13.583 -8.923 1.00 61.22 C ATOM 0 H LEU A 46 -10.225 -12.194 -5.538 1.00 5.15 H new ATOM 0 HA LEU A 46 -8.210 -13.979 -6.655 1.00 32.15 H new ATOM 0 HB2 LEU A 46 -8.550 -10.988 -7.001 1.00 11.32 H new ATOM 0 HB3 LEU A 46 -7.645 -12.080 -8.029 1.00 11.32 H new ATOM 0 HG LEU A 46 -10.677 -12.106 -7.691 1.00 43.14 H new ATOM 0 HD11 LEU A 46 -10.616 -11.196 -10.013 1.00 34.54 H new ATOM 0 HD12 LEU A 46 -9.772 -10.115 -8.879 1.00 34.54 H new ATOM 0 HD13 LEU A 46 -8.837 -11.182 -9.954 1.00 34.54 H new ATOM 0 HD21 LEU A 46 -10.729 -13.665 -9.542 1.00 61.22 H new ATOM 0 HD22 LEU A 46 -8.951 -13.744 -9.539 1.00 61.22 H new ATOM 0 HD23 LEU A 46 -9.871 -14.335 -8.134 1.00 61.22 H new ATOM 718 N VAL A 47 -7.503 -12.337 -4.081 1.00 43.12 N ATOM 719 CA VAL A 47 -6.587 -12.060 -2.996 1.00 42.45 C ATOM 720 C VAL A 47 -6.017 -13.352 -2.424 1.00 43.32 C ATOM 721 O VAL A 47 -6.715 -14.368 -2.430 1.00 11.34 O ATOM 722 CB VAL A 47 -7.328 -11.127 -2.007 1.00 74.54 C ATOM 723 CG1 VAL A 47 -8.775 -11.504 -1.732 1.00 33.11 C ATOM 724 CG2 VAL A 47 -6.555 -10.847 -0.714 1.00 2.01 C ATOM 0 H VAL A 47 -8.471 -12.271 -3.767 1.00 43.12 H new ATOM 0 HA VAL A 47 -5.691 -11.529 -3.317 1.00 42.45 H new ATOM 0 HB VAL A 47 -7.372 -10.184 -2.552 1.00 74.54 H new ATOM 0 HG11 VAL A 47 -9.209 -10.793 -1.029 1.00 33.11 H new ATOM 0 HG12 VAL A 47 -9.340 -11.483 -2.664 1.00 33.11 H new ATOM 0 HG13 VAL A 47 -8.815 -12.506 -1.306 1.00 33.11 H new ATOM 0 HG21 VAL A 47 -7.141 -10.186 -0.075 1.00 2.01 H new ATOM 0 HG22 VAL A 47 -6.368 -11.785 -0.191 1.00 2.01 H new ATOM 0 HG23 VAL A 47 -5.605 -10.370 -0.954 1.00 2.01 H new ATOM 734 N ALA A 48 -4.778 -13.274 -1.912 1.00 73.25 N ATOM 735 CA ALA A 48 -4.091 -14.416 -1.317 1.00 75.42 C ATOM 736 C ALA A 48 -4.774 -14.847 -0.013 1.00 55.50 C ATOM 737 O ALA A 48 -5.170 -13.963 0.755 1.00 62.22 O ATOM 738 CB ALA A 48 -2.652 -14.005 -1.004 1.00 74.35 C ATOM 0 H ALA A 48 -4.230 -12.414 -1.902 1.00 73.25 H new ATOM 0 HA ALA A 48 -4.118 -15.250 -2.018 1.00 75.42 H new ATOM 0 HB1 ALA A 48 -2.122 -14.847 -0.558 1.00 74.35 H new ATOM 0 HB2 ALA A 48 -2.150 -13.707 -1.925 1.00 74.35 H new ATOM 0 HB3 ALA A 48 -2.656 -13.168 -0.306 1.00 74.35 H new ATOM 744 N PRO A 49 -4.830 -16.151 0.313 1.00 72.02 N ATOM 745 CA PRO A 49 -5.464 -16.654 1.528 1.00 75.21 C ATOM 746 C PRO A 49 -4.718 -16.265 2.802 1.00 31.42 C ATOM 747 O PRO A 49 -5.307 -16.363 3.872 1.00 40.01 O ATOM 748 CB PRO A 49 -5.552 -18.167 1.354 1.00 20.41 C ATOM 749 CG PRO A 49 -4.399 -18.491 0.413 1.00 24.14 C ATOM 750 CD PRO A 49 -4.296 -17.253 -0.474 1.00 53.51 C ATOM 0 HA PRO A 49 -6.450 -16.207 1.655 1.00 75.21 H new ATOM 0 HB2 PRO A 49 -5.449 -18.686 2.307 1.00 20.41 H new ATOM 0 HB3 PRO A 49 -6.511 -18.466 0.930 1.00 20.41 H new ATOM 0 HG2 PRO A 49 -3.473 -18.669 0.961 1.00 24.14 H new ATOM 0 HG3 PRO A 49 -4.600 -19.388 -0.173 1.00 24.14 H new ATOM 0 HD2 PRO A 49 -3.262 -17.063 -0.760 1.00 53.51 H new ATOM 0 HD3 PRO A 49 -4.863 -17.385 -1.396 1.00 53.51 H new ATOM 758 N GLU A 50 -3.481 -15.763 2.734 1.00 31.41 N ATOM 759 CA GLU A 50 -2.859 -15.126 3.893 1.00 11.22 C ATOM 760 C GLU A 50 -3.613 -13.851 4.308 1.00 34.23 C ATOM 761 O GLU A 50 -3.699 -13.551 5.498 1.00 20.05 O ATOM 762 CB GLU A 50 -1.363 -14.855 3.658 1.00 62.44 C ATOM 763 CG GLU A 50 -1.059 -13.678 2.729 1.00 52.44 C ATOM 764 CD GLU A 50 0.420 -13.326 2.682 1.00 1.15 C ATOM 765 OE1 GLU A 50 0.869 -12.563 3.574 1.00 74.13 O ATOM 766 OE2 GLU A 50 1.142 -13.806 1.778 1.00 2.11 O ATOM 0 H GLU A 50 -2.898 -15.786 1.897 1.00 31.41 H new ATOM 0 HA GLU A 50 -2.929 -15.827 4.725 1.00 11.22 H new ATOM 0 HB2 GLU A 50 -0.886 -14.671 4.621 1.00 62.44 H new ATOM 0 HB3 GLU A 50 -0.907 -15.754 3.243 1.00 62.44 H new ATOM 0 HG2 GLU A 50 -1.402 -13.918 1.723 1.00 52.44 H new ATOM 0 HG3 GLU A 50 -1.624 -12.806 3.059 1.00 52.44 H new ATOM 773 N TRP A 51 -4.160 -13.112 3.335 1.00 41.51 N ATOM 774 CA TRP A 51 -4.710 -11.773 3.489 1.00 41.43 C ATOM 775 C TRP A 51 -6.200 -11.870 3.790 1.00 55.35 C ATOM 776 O TRP A 51 -6.638 -11.468 4.867 1.00 62.31 O ATOM 777 CB TRP A 51 -4.374 -10.929 2.243 1.00 64.43 C ATOM 778 CG TRP A 51 -3.061 -10.205 2.288 1.00 45.55 C ATOM 779 CD1 TRP A 51 -1.941 -10.574 1.632 1.00 52.54 C ATOM 780 CD2 TRP A 51 -2.710 -8.973 2.994 1.00 50.13 C ATOM 781 NE1 TRP A 51 -0.919 -9.695 1.912 1.00 55.21 N ATOM 782 CE2 TRP A 51 -1.334 -8.680 2.742 1.00 52.25 C ATOM 783 CE3 TRP A 51 -3.419 -8.065 3.808 1.00 52.12 C ATOM 784 CZ2 TRP A 51 -0.686 -7.552 3.271 1.00 74.13 C ATOM 785 CZ3 TRP A 51 -2.781 -6.934 4.348 1.00 54.43 C ATOM 786 CH2 TRP A 51 -1.425 -6.670 4.077 1.00 51.12 C ATOM 0 H TRP A 51 -4.231 -13.454 2.377 1.00 41.51 H new ATOM 0 HA TRP A 51 -4.258 -11.257 4.336 1.00 41.43 H new ATOM 0 HB2 TRP A 51 -4.379 -11.583 1.371 1.00 64.43 H new ATOM 0 HB3 TRP A 51 -5.168 -10.197 2.097 1.00 64.43 H new ATOM 0 HD1 TRP A 51 -1.858 -11.433 0.983 1.00 52.54 H new ATOM 0 HE1 TRP A 51 0.030 -9.785 1.548 1.00 55.21 H new ATOM 0 HE3 TRP A 51 -4.464 -8.240 4.019 1.00 52.12 H new ATOM 0 HZ2 TRP A 51 0.357 -7.367 3.063 1.00 74.13 H new ATOM 0 HZ3 TRP A 51 -3.339 -6.259 4.979 1.00 54.43 H new ATOM 0 HH2 TRP A 51 -0.953 -5.790 4.488 1.00 51.12 H new ATOM 797 N ARG A 52 -6.991 -12.461 2.888 1.00 71.24 N ATOM 798 CA ARG A 52 -8.432 -12.676 3.089 1.00 43.32 C ATOM 799 C ARG A 52 -8.749 -13.704 4.182 1.00 10.31 C ATOM 800 O ARG A 52 -9.878 -14.176 4.253 1.00 3.42 O ATOM 801 CB ARG A 52 -9.123 -13.026 1.765 1.00 42.41 C ATOM 802 CG ARG A 52 -8.464 -14.177 0.997 1.00 4.14 C ATOM 803 CD ARG A 52 -9.242 -14.547 -0.261 1.00 35.25 C ATOM 804 NE ARG A 52 -10.024 -15.786 -0.071 1.00 21.12 N ATOM 805 CZ ARG A 52 -10.361 -16.645 -1.050 1.00 42.40 C ATOM 806 NH1 ARG A 52 -9.847 -16.563 -2.282 1.00 74.32 N ATOM 807 NH2 ARG A 52 -11.225 -17.617 -0.790 1.00 41.44 N ATOM 0 H ARG A 52 -6.649 -12.807 1.991 1.00 71.24 H new ATOM 0 HA ARG A 52 -8.837 -11.731 3.450 1.00 43.32 H new ATOM 0 HB2 ARG A 52 -10.161 -13.287 1.968 1.00 42.41 H new ATOM 0 HB3 ARG A 52 -9.136 -12.140 1.130 1.00 42.41 H new ATOM 0 HG2 ARG A 52 -7.447 -13.895 0.724 1.00 4.14 H new ATOM 0 HG3 ARG A 52 -8.389 -15.049 1.646 1.00 4.14 H new ATOM 0 HD2 ARG A 52 -9.912 -13.730 -0.529 1.00 35.25 H new ATOM 0 HD3 ARG A 52 -8.550 -14.677 -1.093 1.00 35.25 H new ATOM 0 HE ARG A 52 -10.332 -16.007 0.876 1.00 21.12 H new ATOM 0 HH11 ARG A 52 -9.174 -15.830 -2.506 1.00 74.32 H new ATOM 0 HH12 ARG A 52 -10.128 -17.234 -2.997 1.00 74.32 H new ATOM 0 HH21 ARG A 52 -11.626 -17.707 0.144 1.00 41.44 H new ATOM 0 HH22 ARG A 52 -11.489 -18.275 -1.524 1.00 41.44 H new ATOM 821 N GLN A 53 -7.782 -14.106 4.997 1.00 42.40 N ATOM 822 CA GLN A 53 -7.935 -15.170 5.969 1.00 70.42 C ATOM 823 C GLN A 53 -8.977 -14.842 7.030 1.00 1.44 C ATOM 824 O GLN A 53 -9.712 -15.739 7.435 1.00 33.42 O ATOM 825 CB GLN A 53 -6.571 -15.473 6.609 1.00 45.31 C ATOM 826 CG GLN A 53 -6.407 -16.979 6.781 1.00 63.34 C ATOM 827 CD GLN A 53 -4.986 -17.393 7.148 1.00 44.32 C ATOM 828 OE1 GLN A 53 -4.652 -17.682 8.290 1.00 52.01 O ATOM 829 NE2 GLN A 53 -4.127 -17.571 6.163 1.00 40.13 N ATOM 0 H GLN A 53 -6.851 -13.689 4.997 1.00 42.40 H new ATOM 0 HA GLN A 53 -8.299 -16.056 5.448 1.00 70.42 H new ATOM 0 HB2 GLN A 53 -5.770 -15.079 5.984 1.00 45.31 H new ATOM 0 HB3 GLN A 53 -6.494 -14.976 7.576 1.00 45.31 H new ATOM 0 HG2 GLN A 53 -7.091 -17.326 7.556 1.00 63.34 H new ATOM 0 HG3 GLN A 53 -6.695 -17.477 5.855 1.00 63.34 H new ATOM 0 HE21 GLN A 53 -4.392 -17.335 5.207 1.00 40.13 H new ATOM 0 HE22 GLN A 53 -3.198 -17.945 6.358 1.00 40.13 H new ATOM 838 N ASP A 54 -9.017 -13.578 7.469 1.00 71.31 N ATOM 839 CA ASP A 54 -9.854 -13.114 8.570 1.00 55.23 C ATOM 840 C ASP A 54 -10.250 -11.643 8.352 1.00 71.21 C ATOM 841 O ASP A 54 -10.610 -10.964 9.313 1.00 54.51 O ATOM 842 CB ASP A 54 -9.079 -13.221 9.893 1.00 14.15 C ATOM 843 CG ASP A 54 -8.757 -14.639 10.345 1.00 34.14 C ATOM 844 OD1 ASP A 54 -9.675 -15.361 10.789 1.00 70.10 O ATOM 845 OD2 ASP A 54 -7.561 -15.004 10.312 1.00 52.41 O ATOM 0 H ASP A 54 -8.453 -12.836 7.055 1.00 71.31 H new ATOM 0 HA ASP A 54 -10.750 -13.734 8.609 1.00 55.23 H new ATOM 0 HB2 ASP A 54 -8.145 -12.668 9.794 1.00 14.15 H new ATOM 0 HB3 ASP A 54 -9.658 -12.731 10.675 1.00 14.15 H new ATOM 850 N TYR A 55 -10.119 -11.126 7.124 1.00 53.10 N ATOM 851 CA TYR A 55 -10.265 -9.720 6.752 1.00 31.11 C ATOM 852 C TYR A 55 -11.614 -9.499 6.044 1.00 65.31 C ATOM 853 O TYR A 55 -11.650 -9.505 4.805 1.00 20.04 O ATOM 854 CB TYR A 55 -9.086 -9.271 5.860 1.00 31.01 C ATOM 855 CG TYR A 55 -7.850 -8.743 6.569 1.00 33.13 C ATOM 856 CD1 TYR A 55 -7.297 -9.418 7.675 1.00 50.14 C ATOM 857 CD2 TYR A 55 -7.280 -7.524 6.149 1.00 70.25 C ATOM 858 CE1 TYR A 55 -6.238 -8.848 8.400 1.00 13.10 C ATOM 859 CE2 TYR A 55 -6.229 -6.945 6.871 1.00 11.25 C ATOM 860 CZ TYR A 55 -5.725 -7.588 8.020 1.00 64.12 C ATOM 861 OH TYR A 55 -4.814 -6.936 8.793 1.00 73.12 O ATOM 0 H TYR A 55 -9.896 -11.714 6.321 1.00 53.10 H new ATOM 0 HA TYR A 55 -10.250 -9.111 7.656 1.00 31.11 H new ATOM 0 HB2 TYR A 55 -8.787 -10.117 5.242 1.00 31.01 H new ATOM 0 HB3 TYR A 55 -9.447 -8.495 5.185 1.00 31.01 H new ATOM 0 HD1 TYR A 55 -7.690 -10.380 7.967 1.00 50.14 H new ATOM 0 HD2 TYR A 55 -7.657 -7.033 5.264 1.00 70.25 H new ATOM 0 HE1 TYR A 55 -5.817 -9.371 9.246 1.00 13.10 H new ATOM 0 HE2 TYR A 55 -5.805 -6.006 6.548 1.00 11.25 H new ATOM 0 HH TYR A 55 -4.576 -6.084 8.370 1.00 73.12 H new ATOM 871 N PRO A 56 -12.725 -9.289 6.767 1.00 11.42 N ATOM 872 CA PRO A 56 -14.007 -8.916 6.187 1.00 71.54 C ATOM 873 C PRO A 56 -14.040 -7.454 5.724 1.00 32.04 C ATOM 874 O PRO A 56 -14.985 -7.074 5.036 1.00 4.34 O ATOM 875 CB PRO A 56 -15.025 -9.154 7.302 1.00 50.14 C ATOM 876 CG PRO A 56 -14.230 -8.843 8.562 1.00 40.30 C ATOM 877 CD PRO A 56 -12.854 -9.396 8.208 1.00 33.24 C ATOM 0 HA PRO A 56 -14.216 -9.502 5.292 1.00 71.54 H new ATOM 0 HB2 PRO A 56 -15.893 -8.503 7.202 1.00 50.14 H new ATOM 0 HB3 PRO A 56 -15.394 -10.180 7.300 1.00 50.14 H new ATOM 0 HG2 PRO A 56 -14.199 -7.774 8.772 1.00 40.30 H new ATOM 0 HG3 PRO A 56 -14.652 -9.329 9.442 1.00 40.30 H new ATOM 0 HD2 PRO A 56 -12.068 -8.832 8.711 1.00 33.24 H new ATOM 0 HD3 PRO A 56 -12.758 -10.433 8.530 1.00 33.24 H new ATOM 885 N GLU A 57 -13.045 -6.630 6.051 1.00 62.05 N ATOM 886 CA GLU A 57 -13.058 -5.190 5.779 1.00 1.24 C ATOM 887 C GLU A 57 -11.717 -4.739 5.212 1.00 71.03 C ATOM 888 O GLU A 57 -10.724 -5.446 5.420 1.00 71.23 O ATOM 889 CB GLU A 57 -13.349 -4.416 7.074 1.00 53.05 C ATOM 890 CG GLU A 57 -14.834 -4.450 7.434 1.00 32.35 C ATOM 891 CD GLU A 57 -15.233 -3.161 8.151 1.00 10.02 C ATOM 892 OE1 GLU A 57 -14.727 -2.902 9.268 1.00 2.43 O ATOM 893 OE2 GLU A 57 -16.028 -2.402 7.556 1.00 32.34 O ATOM 0 H GLU A 57 -12.195 -6.946 6.518 1.00 62.05 H new ATOM 0 HA GLU A 57 -13.839 -4.986 5.046 1.00 1.24 H new ATOM 0 HB2 GLU A 57 -12.767 -4.843 7.891 1.00 53.05 H new ATOM 0 HB3 GLU A 57 -13.026 -3.381 6.959 1.00 53.05 H new ATOM 0 HG2 GLU A 57 -15.432 -4.572 6.531 1.00 32.35 H new ATOM 0 HG3 GLU A 57 -15.041 -5.309 8.072 1.00 32.35 H new ATOM 900 N PRO A 58 -11.660 -3.586 4.519 1.00 64.42 N ATOM 901 CA PRO A 58 -10.413 -3.040 4.009 1.00 3.33 C ATOM 902 C PRO A 58 -9.439 -2.705 5.150 1.00 14.01 C ATOM 903 O PRO A 58 -9.866 -2.388 6.264 1.00 64.10 O ATOM 904 CB PRO A 58 -10.790 -1.793 3.206 1.00 33.23 C ATOM 905 CG PRO A 58 -12.189 -1.423 3.682 1.00 51.31 C ATOM 906 CD PRO A 58 -12.783 -2.759 4.109 1.00 2.51 C ATOM 0 HA PRO A 58 -9.894 -3.765 3.382 1.00 3.33 H new ATOM 0 HB2 PRO A 58 -10.085 -0.981 3.385 1.00 33.23 H new ATOM 0 HB3 PRO A 58 -10.779 -1.995 2.135 1.00 33.23 H new ATOM 0 HG2 PRO A 58 -12.157 -0.715 4.510 1.00 51.31 H new ATOM 0 HG3 PRO A 58 -12.774 -0.959 2.888 1.00 51.31 H new ATOM 0 HD2 PRO A 58 -13.490 -2.627 4.928 1.00 2.51 H new ATOM 0 HD3 PRO A 58 -13.330 -3.223 3.288 1.00 2.51 H new ATOM 914 N PRO A 59 -8.127 -2.702 4.872 1.00 33.14 N ATOM 915 CA PRO A 59 -7.126 -2.217 5.795 1.00 71.45 C ATOM 916 C PRO A 59 -7.176 -0.689 5.851 1.00 10.34 C ATOM 917 O PRO A 59 -6.813 0.004 4.893 1.00 65.43 O ATOM 918 CB PRO A 59 -5.800 -2.756 5.271 1.00 11.33 C ATOM 919 CG PRO A 59 -6.025 -2.900 3.774 1.00 73.14 C ATOM 920 CD PRO A 59 -7.499 -3.258 3.689 1.00 64.41 C ATOM 0 HA PRO A 59 -7.283 -2.553 6.820 1.00 71.45 H new ATOM 0 HB2 PRO A 59 -4.979 -2.073 5.487 1.00 11.33 H new ATOM 0 HB3 PRO A 59 -5.549 -3.712 5.730 1.00 11.33 H new ATOM 0 HG2 PRO A 59 -5.802 -1.976 3.241 1.00 73.14 H new ATOM 0 HG3 PRO A 59 -5.394 -3.677 3.343 1.00 73.14 H new ATOM 0 HD2 PRO A 59 -7.946 -2.848 2.783 1.00 64.41 H new ATOM 0 HD3 PRO A 59 -7.634 -4.339 3.650 1.00 64.41 H new ATOM 928 N ASP A 60 -7.630 -0.160 6.986 1.00 10.41 N ATOM 929 CA ASP A 60 -7.572 1.267 7.275 1.00 4.53 C ATOM 930 C ASP A 60 -6.145 1.595 7.697 1.00 53.33 C ATOM 931 O ASP A 60 -5.751 1.412 8.856 1.00 51.21 O ATOM 932 CB ASP A 60 -8.563 1.716 8.357 1.00 60.25 C ATOM 933 CG ASP A 60 -8.777 3.231 8.273 1.00 14.20 C ATOM 934 OD1 ASP A 60 -7.878 3.992 7.836 1.00 74.21 O ATOM 935 OD2 ASP A 60 -9.905 3.663 8.591 1.00 1.51 O ATOM 0 H ASP A 60 -8.050 -0.714 7.733 1.00 10.41 H new ATOM 0 HA ASP A 60 -7.860 1.809 6.374 1.00 4.53 H new ATOM 0 HB2 ASP A 60 -9.514 1.198 8.229 1.00 60.25 H new ATOM 0 HB3 ASP A 60 -8.184 1.448 9.343 1.00 60.25 H new ATOM 940 N PHE A 61 -5.320 1.996 6.737 1.00 65.55 N ATOM 941 CA PHE A 61 -3.933 2.333 7.014 1.00 61.52 C ATOM 942 C PHE A 61 -3.789 3.614 7.823 1.00 1.22 C ATOM 943 O PHE A 61 -2.733 3.799 8.424 1.00 60.01 O ATOM 944 CB PHE A 61 -3.145 2.451 5.710 1.00 63.31 C ATOM 945 CG PHE A 61 -3.032 1.131 4.985 1.00 34.30 C ATOM 946 CD1 PHE A 61 -2.198 0.117 5.508 1.00 31.03 C ATOM 947 CD2 PHE A 61 -3.801 0.904 3.825 1.00 62.30 C ATOM 948 CE1 PHE A 61 -2.125 -1.126 4.851 1.00 15.14 C ATOM 949 CE2 PHE A 61 -3.708 -0.335 3.170 1.00 3.11 C ATOM 950 CZ PHE A 61 -2.878 -1.350 3.682 1.00 24.12 C ATOM 0 H PHE A 61 -5.590 2.095 5.758 1.00 65.55 H new ATOM 0 HA PHE A 61 -3.527 1.522 7.619 1.00 61.52 H new ATOM 0 HB2 PHE A 61 -3.630 3.179 5.060 1.00 63.31 H new ATOM 0 HB3 PHE A 61 -2.146 2.831 5.925 1.00 63.31 H new ATOM 0 HD1 PHE A 61 -1.622 0.294 6.404 1.00 31.03 H new ATOM 0 HD2 PHE A 61 -4.455 1.675 3.444 1.00 62.30 H new ATOM 0 HE1 PHE A 61 -1.492 -1.908 5.243 1.00 15.14 H new ATOM 0 HE2 PHE A 61 -4.276 -0.510 2.269 1.00 3.11 H new ATOM 0 HZ PHE A 61 -2.818 -2.303 3.177 1.00 24.12 H new ATOM 960 N ILE A 62 -4.788 4.502 7.818 1.00 2.20 N ATOM 961 CA ILE A 62 -4.665 5.846 8.370 1.00 72.40 C ATOM 962 C ILE A 62 -5.156 5.803 9.816 1.00 73.33 C ATOM 963 O ILE A 62 -4.422 6.169 10.745 1.00 72.52 O ATOM 964 CB ILE A 62 -5.425 6.877 7.493 1.00 51.12 C ATOM 965 CG1 ILE A 62 -4.941 6.821 6.025 1.00 31.11 C ATOM 966 CG2 ILE A 62 -5.212 8.289 8.066 1.00 74.35 C ATOM 967 CD1 ILE A 62 -5.622 7.818 5.077 1.00 23.42 C ATOM 0 H ILE A 62 -5.709 4.303 7.427 1.00 2.20 H new ATOM 0 HA ILE A 62 -3.627 6.177 8.367 1.00 72.40 H new ATOM 0 HB ILE A 62 -6.487 6.632 7.506 1.00 51.12 H new ATOM 0 HG12 ILE A 62 -3.866 7.001 6.006 1.00 31.11 H new ATOM 0 HG13 ILE A 62 -5.102 5.813 5.644 1.00 31.11 H new ATOM 0 HG21 ILE A 62 -5.745 9.015 7.452 1.00 74.35 H new ATOM 0 HG22 ILE A 62 -5.592 8.329 9.087 1.00 74.35 H new ATOM 0 HG23 ILE A 62 -4.148 8.525 8.066 1.00 74.35 H new ATOM 0 HD11 ILE A 62 -5.215 7.701 4.073 1.00 23.42 H new ATOM 0 HD12 ILE A 62 -6.695 7.628 5.058 1.00 23.42 H new ATOM 0 HD13 ILE A 62 -5.440 8.834 5.426 1.00 23.42 H new ATOM 979 N ALA A 63 -6.395 5.345 10.003 1.00 64.31 N ATOM 980 CA ALA A 63 -7.098 5.400 11.273 1.00 15.04 C ATOM 981 C ALA A 63 -6.673 4.282 12.230 1.00 41.15 C ATOM 982 O ALA A 63 -7.175 4.221 13.349 1.00 23.45 O ATOM 983 CB ALA A 63 -8.601 5.319 11.002 1.00 20.22 C ATOM 0 H ALA A 63 -6.944 4.918 9.257 1.00 64.31 H new ATOM 0 HA ALA A 63 -6.844 6.341 11.762 1.00 15.04 H new ATOM 0 HB1 ALA A 63 -9.144 5.359 11.946 1.00 20.22 H new ATOM 0 HB2 ALA A 63 -8.903 6.157 10.374 1.00 20.22 H new ATOM 0 HB3 ALA A 63 -8.829 4.383 10.492 1.00 20.22 H new ATOM 989 N SER A 64 -5.792 3.371 11.812 1.00 4.53 N ATOM 990 CA SER A 64 -5.322 2.268 12.633 1.00 3.23 C ATOM 991 C SER A 64 -3.892 1.892 12.237 1.00 41.45 C ATOM 992 O SER A 64 -3.278 2.604 11.430 1.00 30.30 O ATOM 993 CB SER A 64 -6.350 1.135 12.556 1.00 32.24 C ATOM 994 OG SER A 64 -6.225 0.328 13.705 1.00 64.24 O ATOM 0 H SER A 64 -5.382 3.385 10.878 1.00 4.53 H new ATOM 0 HA SER A 64 -5.249 2.541 13.686 1.00 3.23 H new ATOM 0 HB2 SER A 64 -7.358 1.544 12.490 1.00 32.24 H new ATOM 0 HB3 SER A 64 -6.189 0.540 11.657 1.00 32.24 H new ATOM 0 HG SER A 64 -6.880 -0.400 13.666 1.00 64.24 H new ATOM 1000 N ARG A 65 -3.305 0.844 12.837 1.00 1.10 N ATOM 1001 CA ARG A 65 -2.132 0.209 12.223 1.00 34.23 C ATOM 1002 C ARG A 65 -2.047 -1.323 12.414 1.00 2.10 C ATOM 1003 O ARG A 65 -0.975 -1.847 12.736 1.00 10.14 O ATOM 1004 CB ARG A 65 -0.860 0.948 12.711 1.00 30.13 C ATOM 1005 CG ARG A 65 -0.640 1.089 14.233 1.00 54.52 C ATOM 1006 CD ARG A 65 -0.084 -0.165 14.921 1.00 33.10 C ATOM 1007 NE ARG A 65 0.359 0.120 16.293 1.00 73.35 N ATOM 1008 CZ ARG A 65 0.677 -0.780 17.231 1.00 43.43 C ATOM 1009 NH1 ARG A 65 0.603 -2.087 16.988 1.00 12.53 N ATOM 1010 NH2 ARG A 65 1.077 -0.352 18.424 1.00 41.45 N ATOM 0 H ARG A 65 -3.612 0.430 13.718 1.00 1.10 H new ATOM 0 HA ARG A 65 -2.229 0.312 11.142 1.00 34.23 H new ATOM 0 HB2 ARG A 65 0.006 0.432 12.295 1.00 30.13 H new ATOM 0 HB3 ARG A 65 -0.871 1.950 12.281 1.00 30.13 H new ATOM 0 HG2 ARG A 65 0.044 1.918 14.412 1.00 54.52 H new ATOM 0 HG3 ARG A 65 -1.589 1.352 14.700 1.00 54.52 H new ATOM 0 HD2 ARG A 65 -0.850 -0.940 14.939 1.00 33.10 H new ATOM 0 HD3 ARG A 65 0.752 -0.557 14.342 1.00 33.10 H new ATOM 0 HE ARG A 65 0.431 1.103 16.557 1.00 73.35 H new ATOM 0 HH11 ARG A 65 0.299 -2.419 16.073 1.00 12.53 H new ATOM 0 HH12 ARG A 65 0.850 -2.756 17.717 1.00 12.53 H new ATOM 0 HH21 ARG A 65 1.138 0.649 18.613 1.00 41.45 H new ATOM 0 HH22 ARG A 65 1.323 -1.024 19.151 1.00 41.45 H new ATOM 1024 N PRO A 66 -3.088 -2.107 12.096 1.00 34.41 N ATOM 1025 CA PRO A 66 -3.016 -3.566 12.088 1.00 41.32 C ATOM 1026 C PRO A 66 -2.325 -4.043 10.813 1.00 41.14 C ATOM 1027 O PRO A 66 -1.298 -4.724 10.864 1.00 24.25 O ATOM 1028 CB PRO A 66 -4.470 -4.055 12.157 1.00 75.21 C ATOM 1029 CG PRO A 66 -5.259 -2.899 11.545 1.00 0.31 C ATOM 1030 CD PRO A 66 -4.469 -1.686 11.985 1.00 1.11 C ATOM 0 HA PRO A 66 -2.437 -3.958 12.924 1.00 41.32 H new ATOM 0 HB2 PRO A 66 -4.611 -4.979 11.596 1.00 75.21 H new ATOM 0 HB3 PRO A 66 -4.779 -4.254 13.183 1.00 75.21 H new ATOM 0 HG2 PRO A 66 -5.312 -2.975 10.459 1.00 0.31 H new ATOM 0 HG3 PRO A 66 -6.285 -2.869 11.913 1.00 0.31 H new ATOM 0 HD2 PRO A 66 -4.570 -0.876 11.263 1.00 1.11 H new ATOM 0 HD3 PRO A 66 -4.837 -1.310 12.940 1.00 1.11 H new ATOM 1038 N ALA A 67 -2.849 -3.633 9.653 1.00 41.02 N ATOM 1039 CA ALA A 67 -2.430 -4.156 8.366 1.00 2.12 C ATOM 1040 C ALA A 67 -1.005 -3.744 8.046 1.00 14.03 C ATOM 1041 O ALA A 67 -0.365 -4.414 7.251 1.00 63.41 O ATOM 1042 CB ALA A 67 -3.364 -3.684 7.262 1.00 40.04 C ATOM 0 H ALA A 67 -3.580 -2.924 9.590 1.00 41.02 H new ATOM 0 HA ALA A 67 -2.472 -5.244 8.423 1.00 2.12 H new ATOM 0 HB1 ALA A 67 -3.031 -4.088 6.306 1.00 40.04 H new ATOM 0 HB2 ALA A 67 -4.377 -4.030 7.469 1.00 40.04 H new ATOM 0 HB3 ALA A 67 -3.355 -2.595 7.219 1.00 40.04 H new ATOM 1048 N THR A 68 -0.479 -2.706 8.691 1.00 24.51 N ATOM 1049 CA THR A 68 0.912 -2.311 8.626 1.00 23.12 C ATOM 1050 C THR A 68 1.828 -3.518 8.875 1.00 25.42 C ATOM 1051 O THR A 68 2.756 -3.735 8.098 1.00 45.11 O ATOM 1052 CB THR A 68 1.124 -1.183 9.646 1.00 43.44 C ATOM 1053 OG1 THR A 68 0.064 -0.246 9.577 1.00 42.41 O ATOM 1054 CG2 THR A 68 2.452 -0.477 9.415 1.00 25.03 C ATOM 0 H THR A 68 -1.036 -2.100 9.293 1.00 24.51 H new ATOM 0 HA THR A 68 1.170 -1.942 7.633 1.00 23.12 H new ATOM 0 HB THR A 68 1.140 -1.632 10.639 1.00 43.44 H new ATOM 0 HG1 THR A 68 0.289 0.542 10.114 1.00 42.41 H new ATOM 0 HG21 THR A 68 2.575 0.317 10.152 1.00 25.03 H new ATOM 0 HG22 THR A 68 3.267 -1.194 9.514 1.00 25.03 H new ATOM 0 HG23 THR A 68 2.466 -0.048 8.413 1.00 25.03 H new ATOM 1062 N VAL A 69 1.546 -4.354 9.884 1.00 44.32 N ATOM 1063 CA VAL A 69 2.323 -5.570 10.144 1.00 42.41 C ATOM 1064 C VAL A 69 2.194 -6.534 8.968 1.00 33.22 C ATOM 1065 O VAL A 69 3.165 -7.162 8.544 1.00 44.13 O ATOM 1066 CB VAL A 69 1.841 -6.244 11.445 1.00 40.30 C ATOM 1067 CG1 VAL A 69 2.633 -7.534 11.740 1.00 63.24 C ATOM 1068 CG2 VAL A 69 1.944 -5.263 12.628 1.00 72.34 C ATOM 0 H VAL A 69 0.777 -4.206 10.538 1.00 44.32 H new ATOM 0 HA VAL A 69 3.372 -5.299 10.262 1.00 42.41 H new ATOM 0 HB VAL A 69 0.796 -6.522 11.309 1.00 40.30 H new ATOM 0 HG11 VAL A 69 2.267 -7.982 12.664 1.00 63.24 H new ATOM 0 HG12 VAL A 69 2.502 -8.238 10.918 1.00 63.24 H new ATOM 0 HG13 VAL A 69 3.691 -7.295 11.847 1.00 63.24 H new ATOM 0 HG21 VAL A 69 1.600 -5.754 13.539 1.00 72.34 H new ATOM 0 HG22 VAL A 69 2.981 -4.951 12.753 1.00 72.34 H new ATOM 0 HG23 VAL A 69 1.324 -4.389 12.431 1.00 72.34 H new ATOM 1078 N LYS A 70 0.980 -6.673 8.443 1.00 61.11 N ATOM 1079 CA LYS A 70 0.707 -7.599 7.364 1.00 34.55 C ATOM 1080 C LYS A 70 1.402 -7.155 6.072 1.00 30.50 C ATOM 1081 O LYS A 70 1.884 -7.999 5.326 1.00 32.02 O ATOM 1082 CB LYS A 70 -0.813 -7.773 7.268 1.00 64.12 C ATOM 1083 CG LYS A 70 -1.185 -9.109 6.618 1.00 71.23 C ATOM 1084 CD LYS A 70 -2.619 -9.492 7.008 1.00 72.31 C ATOM 1085 CE LYS A 70 -2.951 -10.924 6.600 1.00 15.41 C ATOM 1086 NZ LYS A 70 -2.193 -11.931 7.366 1.00 34.22 N ATOM 0 H LYS A 70 0.165 -6.146 8.757 1.00 61.11 H new ATOM 0 HA LYS A 70 1.130 -8.585 7.558 1.00 34.55 H new ATOM 0 HB2 LYS A 70 -1.250 -7.718 8.265 1.00 64.12 H new ATOM 0 HB3 LYS A 70 -1.238 -6.954 6.688 1.00 64.12 H new ATOM 0 HG2 LYS A 70 -1.101 -9.033 5.534 1.00 71.23 H new ATOM 0 HG3 LYS A 70 -0.491 -9.886 6.938 1.00 71.23 H new ATOM 0 HD2 LYS A 70 -2.745 -9.382 8.085 1.00 72.31 H new ATOM 0 HD3 LYS A 70 -3.321 -8.806 6.533 1.00 72.31 H new ATOM 0 HE2 LYS A 70 -4.018 -11.097 6.739 1.00 15.41 H new ATOM 0 HE3 LYS A 70 -2.743 -11.051 5.538 1.00 15.41 H new ATOM 0 HZ1 LYS A 70 -2.566 -12.879 7.157 1.00 34.22 H new ATOM 0 HZ2 LYS A 70 -1.189 -11.887 7.098 1.00 34.22 H new ATOM 0 HZ3 LYS A 70 -2.289 -11.738 8.383 1.00 34.22 H new ATOM 1100 N LEU A 71 1.561 -5.848 5.841 1.00 64.02 N ATOM 1101 CA LEU A 71 2.392 -5.325 4.762 1.00 40.21 C ATOM 1102 C LEU A 71 3.846 -5.724 5.003 1.00 74.11 C ATOM 1103 O LEU A 71 4.519 -6.130 4.058 1.00 14.54 O ATOM 1104 CB LEU A 71 2.327 -3.790 4.662 1.00 70.32 C ATOM 1105 CG LEU A 71 0.982 -3.140 4.339 1.00 72.23 C ATOM 1106 CD1 LEU A 71 1.207 -1.625 4.327 1.00 12.54 C ATOM 1107 CD2 LEU A 71 0.311 -3.536 3.029 1.00 22.05 C ATOM 0 H LEU A 71 1.113 -5.123 6.402 1.00 64.02 H new ATOM 0 HA LEU A 71 2.012 -5.747 3.832 1.00 40.21 H new ATOM 0 HB2 LEU A 71 2.675 -3.380 5.610 1.00 70.32 H new ATOM 0 HB3 LEU A 71 3.039 -3.476 3.899 1.00 70.32 H new ATOM 0 HG LEU A 71 0.295 -3.496 5.107 1.00 72.23 H new ATOM 0 HD11 LEU A 71 0.268 -1.120 4.099 1.00 12.54 H new ATOM 0 HD12 LEU A 71 1.565 -1.303 5.305 1.00 12.54 H new ATOM 0 HD13 LEU A 71 1.948 -1.373 3.568 1.00 12.54 H new ATOM 0 HD21 LEU A 71 -0.633 -3.001 2.928 1.00 22.05 H new ATOM 0 HD22 LEU A 71 0.964 -3.281 2.194 1.00 22.05 H new ATOM 0 HD23 LEU A 71 0.122 -4.609 3.027 1.00 22.05 H new ATOM 1119 N THR A 72 4.347 -5.599 6.239 1.00 25.31 N ATOM 1120 CA THR A 72 5.750 -5.824 6.578 1.00 12.41 C ATOM 1121 C THR A 72 6.215 -7.209 6.156 1.00 15.00 C ATOM 1122 O THR A 72 7.357 -7.359 5.744 1.00 2.52 O ATOM 1123 CB THR A 72 5.958 -5.641 8.089 1.00 41.31 C ATOM 1124 OG1 THR A 72 5.523 -4.364 8.498 1.00 12.42 O ATOM 1125 CG2 THR A 72 7.412 -5.847 8.498 1.00 50.41 C ATOM 0 H THR A 72 3.776 -5.334 7.041 1.00 25.31 H new ATOM 0 HA THR A 72 6.346 -5.092 6.034 1.00 12.41 H new ATOM 0 HB THR A 72 5.361 -6.405 8.587 1.00 41.31 H new ATOM 0 HG1 THR A 72 4.545 -4.324 8.459 1.00 12.42 H new ATOM 0 HG21 THR A 72 7.510 -5.707 9.575 1.00 50.41 H new ATOM 0 HG22 THR A 72 7.725 -6.857 8.233 1.00 50.41 H new ATOM 0 HG23 THR A 72 8.042 -5.124 7.979 1.00 50.41 H new ATOM 1133 N ARG A 73 5.318 -8.193 6.221 1.00 53.32 N ATOM 1134 CA ARG A 73 5.541 -9.563 5.785 1.00 73.50 C ATOM 1135 C ARG A 73 6.236 -9.564 4.424 1.00 64.04 C ATOM 1136 O ARG A 73 7.343 -10.082 4.286 1.00 64.10 O ATOM 1137 CB ARG A 73 4.196 -10.317 5.713 1.00 71.42 C ATOM 1138 CG ARG A 73 3.385 -10.316 7.021 1.00 20.12 C ATOM 1139 CD ARG A 73 3.499 -11.577 7.869 1.00 2.11 C ATOM 1140 NE ARG A 73 4.885 -11.993 8.106 1.00 65.24 N ATOM 1141 CZ ARG A 73 5.679 -11.531 9.071 1.00 71.41 C ATOM 1142 NH1 ARG A 73 5.319 -10.473 9.788 1.00 2.13 N ATOM 1143 NH2 ARG A 73 6.838 -12.122 9.315 1.00 42.12 N ATOM 0 H ARG A 73 4.380 -8.047 6.594 1.00 53.32 H new ATOM 0 HA ARG A 73 6.183 -10.073 6.503 1.00 73.50 H new ATOM 0 HB2 ARG A 73 3.588 -9.873 4.925 1.00 71.42 H new ATOM 0 HB3 ARG A 73 4.389 -11.350 5.423 1.00 71.42 H new ATOM 0 HG2 ARG A 73 3.703 -9.465 7.623 1.00 20.12 H new ATOM 0 HG3 ARG A 73 2.335 -10.159 6.776 1.00 20.12 H new ATOM 0 HD2 ARG A 73 3.009 -11.407 8.828 1.00 2.11 H new ATOM 0 HD3 ARG A 73 2.963 -12.388 7.376 1.00 2.11 H new ATOM 0 HE ARG A 73 5.275 -12.696 7.478 1.00 65.24 H new ATOM 0 HH11 ARG A 73 4.430 -10.009 9.601 1.00 2.13 H new ATOM 0 HH12 ARG A 73 5.931 -10.124 10.525 1.00 2.13 H new ATOM 0 HH21 ARG A 73 7.124 -12.932 8.764 1.00 42.12 H new ATOM 0 HH22 ARG A 73 7.445 -11.768 10.054 1.00 42.12 H new ATOM 1157 N SER A 74 5.612 -8.906 3.452 1.00 61.13 N ATOM 1158 CA SER A 74 6.062 -8.822 2.071 1.00 44.23 C ATOM 1159 C SER A 74 7.238 -7.848 1.853 1.00 24.34 C ATOM 1160 O SER A 74 7.712 -7.706 0.729 1.00 24.53 O ATOM 1161 CB SER A 74 4.841 -8.440 1.232 1.00 24.42 C ATOM 1162 OG SER A 74 4.395 -7.135 1.539 1.00 24.44 O ATOM 0 H SER A 74 4.743 -8.396 3.614 1.00 61.13 H new ATOM 0 HA SER A 74 6.466 -9.787 1.767 1.00 44.23 H new ATOM 0 HB2 SER A 74 5.091 -8.501 0.173 1.00 24.42 H new ATOM 0 HB3 SER A 74 4.036 -9.153 1.411 1.00 24.42 H new ATOM 0 HG SER A 74 4.637 -6.915 2.463 1.00 24.44 H new ATOM 1168 N ILE A 75 7.710 -7.147 2.893 1.00 22.24 N ATOM 1169 CA ILE A 75 8.834 -6.209 2.840 1.00 10.41 C ATOM 1170 C ILE A 75 10.066 -6.879 3.507 1.00 74.55 C ATOM 1171 O ILE A 75 10.331 -6.658 4.697 1.00 11.54 O ATOM 1172 CB ILE A 75 8.435 -4.837 3.445 1.00 31.33 C ATOM 1173 CG1 ILE A 75 7.161 -4.256 2.778 1.00 15.23 C ATOM 1174 CG2 ILE A 75 9.583 -3.827 3.256 1.00 23.34 C ATOM 1175 CD1 ILE A 75 6.618 -3.001 3.476 1.00 32.43 C ATOM 0 H ILE A 75 7.304 -7.222 3.826 1.00 22.24 H new ATOM 0 HA ILE A 75 9.112 -5.983 1.810 1.00 10.41 H new ATOM 0 HB ILE A 75 8.232 -5.001 4.503 1.00 31.33 H new ATOM 0 HG12 ILE A 75 7.383 -4.016 1.738 1.00 15.23 H new ATOM 0 HG13 ILE A 75 6.385 -5.021 2.769 1.00 15.23 H new ATOM 0 HG21 ILE A 75 9.296 -2.866 3.683 1.00 23.34 H new ATOM 0 HG22 ILE A 75 10.478 -4.195 3.758 1.00 23.34 H new ATOM 0 HG23 ILE A 75 9.789 -3.705 2.193 1.00 23.34 H new ATOM 0 HD11 ILE A 75 5.727 -2.651 2.954 1.00 32.43 H new ATOM 0 HD12 ILE A 75 6.364 -3.240 4.509 1.00 32.43 H new ATOM 0 HD13 ILE A 75 7.377 -2.219 3.461 1.00 32.43 H new ATOM 1187 N PRO A 76 10.829 -7.702 2.760 1.00 65.41 N ATOM 1188 CA PRO A 76 12.060 -8.348 3.207 1.00 52.22 C ATOM 1189 C PRO A 76 13.225 -7.340 3.307 1.00 35.24 C ATOM 1190 O PRO A 76 13.075 -6.149 3.012 1.00 23.30 O ATOM 1191 CB PRO A 76 12.303 -9.424 2.138 1.00 51.00 C ATOM 1192 CG PRO A 76 11.852 -8.741 0.866 1.00 23.12 C ATOM 1193 CD PRO A 76 10.564 -8.118 1.391 1.00 50.45 C ATOM 0 HA PRO A 76 11.985 -8.770 4.209 1.00 52.22 H new ATOM 0 HB2 PRO A 76 13.352 -9.717 2.090 1.00 51.00 H new ATOM 0 HB3 PRO A 76 11.728 -10.329 2.337 1.00 51.00 H new ATOM 0 HG2 PRO A 76 12.566 -7.999 0.508 1.00 23.12 H new ATOM 0 HG3 PRO A 76 11.681 -9.440 0.048 1.00 23.12 H new ATOM 0 HD2 PRO A 76 10.268 -7.267 0.778 1.00 50.45 H new ATOM 0 HD3 PRO A 76 9.745 -8.836 1.356 1.00 50.45 H new ATOM 1201 N ALA A 77 14.409 -7.815 3.711 1.00 23.34 N ATOM 1202 CA ALA A 77 15.623 -7.011 3.862 1.00 44.53 C ATOM 1203 C ALA A 77 16.000 -6.228 2.592 1.00 54.43 C ATOM 1204 O ALA A 77 16.294 -5.040 2.719 1.00 2.11 O ATOM 1205 CB ALA A 77 16.792 -7.875 4.354 1.00 31.30 C ATOM 0 H ALA A 77 14.551 -8.797 3.948 1.00 23.34 H new ATOM 0 HA ALA A 77 15.402 -6.259 4.619 1.00 44.53 H new ATOM 0 HB1 ALA A 77 17.683 -7.256 4.459 1.00 31.30 H new ATOM 0 HB2 ALA A 77 16.539 -8.313 5.319 1.00 31.30 H new ATOM 0 HB3 ALA A 77 16.985 -8.670 3.634 1.00 31.30 H new ATOM 1211 N PRO A 78 15.999 -6.810 1.377 1.00 34.54 N ATOM 1212 CA PRO A 78 16.354 -6.068 0.169 1.00 25.33 C ATOM 1213 C PRO A 78 15.325 -5.016 -0.267 1.00 63.50 C ATOM 1214 O PRO A 78 15.619 -4.261 -1.191 1.00 72.24 O ATOM 1215 CB PRO A 78 16.572 -7.135 -0.916 1.00 60.21 C ATOM 1216 CG PRO A 78 15.693 -8.286 -0.444 1.00 13.03 C ATOM 1217 CD PRO A 78 15.880 -8.227 1.061 1.00 1.24 C ATOM 0 HA PRO A 78 17.246 -5.471 0.358 1.00 25.33 H new ATOM 0 HB2 PRO A 78 16.273 -6.776 -1.901 1.00 60.21 H new ATOM 0 HB3 PRO A 78 17.619 -7.430 -0.988 1.00 60.21 H new ATOM 0 HG2 PRO A 78 14.651 -8.148 -0.732 1.00 13.03 H new ATOM 0 HG3 PRO A 78 16.014 -9.242 -0.858 1.00 13.03 H new ATOM 0 HD2 PRO A 78 15.034 -8.676 1.581 1.00 1.24 H new ATOM 0 HD3 PRO A 78 16.771 -8.775 1.369 1.00 1.24 H new ATOM 1225 N TYR A 79 14.137 -4.960 0.349 1.00 72.24 N ATOM 1226 CA TYR A 79 13.008 -4.156 -0.126 1.00 35.14 C ATOM 1227 C TYR A 79 12.599 -3.081 0.904 1.00 51.20 C ATOM 1228 O TYR A 79 11.534 -2.463 0.792 1.00 0.22 O ATOM 1229 CB TYR A 79 11.853 -5.106 -0.514 1.00 32.12 C ATOM 1230 CG TYR A 79 12.104 -6.016 -1.721 1.00 1.22 C ATOM 1231 CD1 TYR A 79 13.071 -5.660 -2.681 1.00 51.11 C ATOM 1232 CD2 TYR A 79 11.337 -7.185 -1.944 1.00 13.43 C ATOM 1233 CE1 TYR A 79 13.299 -6.449 -3.806 1.00 44.11 C ATOM 1234 CE2 TYR A 79 11.544 -7.966 -3.102 1.00 33.10 C ATOM 1235 CZ TYR A 79 12.556 -7.623 -4.032 1.00 42.11 C ATOM 1236 OH TYR A 79 12.845 -8.382 -5.128 1.00 11.51 O ATOM 0 H TYR A 79 13.932 -5.480 1.203 1.00 72.24 H new ATOM 0 HA TYR A 79 13.298 -3.595 -1.014 1.00 35.14 H new ATOM 0 HB2 TYR A 79 11.622 -5.734 0.346 1.00 32.12 H new ATOM 0 HB3 TYR A 79 10.967 -4.504 -0.717 1.00 32.12 H new ATOM 0 HD1 TYR A 79 13.647 -4.757 -2.542 1.00 51.11 H new ATOM 0 HD2 TYR A 79 10.589 -7.481 -1.224 1.00 13.43 H new ATOM 0 HE1 TYR A 79 14.058 -6.155 -4.516 1.00 44.11 H new ATOM 0 HE2 TYR A 79 10.925 -8.833 -3.280 1.00 33.10 H new ATOM 0 HH TYR A 79 12.251 -9.161 -5.152 1.00 11.51 H new ATOM 1246 N LYS A 80 13.421 -2.847 1.935 1.00 54.13 N ATOM 1247 CA LYS A 80 13.064 -2.017 3.089 1.00 21.03 C ATOM 1248 C LYS A 80 12.762 -0.574 2.730 1.00 70.12 C ATOM 1249 O LYS A 80 11.865 -0.010 3.365 1.00 64.51 O ATOM 1250 CB LYS A 80 14.173 -2.035 4.158 1.00 22.10 C ATOM 1251 CG LYS A 80 14.329 -3.378 4.883 1.00 24.20 C ATOM 1252 CD LYS A 80 13.074 -3.806 5.657 1.00 23.21 C ATOM 1253 CE LYS A 80 13.288 -5.153 6.346 1.00 34.13 C ATOM 1254 NZ LYS A 80 14.057 -5.038 7.601 1.00 12.43 N ATOM 0 H LYS A 80 14.363 -3.234 1.990 1.00 54.13 H new ATOM 0 HA LYS A 80 12.151 -2.463 3.483 1.00 21.03 H new ATOM 0 HB2 LYS A 80 15.121 -1.778 3.686 1.00 22.10 H new ATOM 0 HB3 LYS A 80 13.964 -1.260 4.895 1.00 22.10 H new ATOM 0 HG2 LYS A 80 14.577 -4.149 4.153 1.00 24.20 H new ATOM 0 HG3 LYS A 80 15.168 -3.313 5.575 1.00 24.20 H new ATOM 0 HD2 LYS A 80 12.825 -3.049 6.400 1.00 23.21 H new ATOM 0 HD3 LYS A 80 12.227 -3.873 4.974 1.00 23.21 H new ATOM 0 HE2 LYS A 80 12.319 -5.605 6.559 1.00 34.13 H new ATOM 0 HE3 LYS A 80 13.811 -5.825 5.665 1.00 34.13 H new ATOM 0 HZ1 LYS A 80 14.172 -5.981 8.025 1.00 12.43 H new ATOM 0 HZ2 LYS A 80 14.993 -4.633 7.399 1.00 12.43 H new ATOM 0 HZ3 LYS A 80 13.548 -4.420 8.264 1.00 12.43 H new ATOM 1268 N GLN A 81 13.495 0.033 1.798 1.00 25.04 N ATOM 1269 CA GLN A 81 13.364 1.453 1.486 1.00 21.30 C ATOM 1270 C GLN A 81 13.185 1.704 -0.010 1.00 4.45 C ATOM 1271 O GLN A 81 13.748 2.651 -0.557 1.00 21.32 O ATOM 1272 CB GLN A 81 14.434 2.295 2.172 1.00 34.11 C ATOM 1273 CG GLN A 81 15.817 1.830 1.809 1.00 1.01 C ATOM 1274 CD GLN A 81 16.920 2.788 2.264 1.00 42.24 C ATOM 1275 OE1 GLN A 81 16.677 3.940 2.626 1.00 61.34 O ATOM 1276 NE2 GLN A 81 18.158 2.331 2.239 1.00 22.11 N ATOM 0 H GLN A 81 14.198 -0.448 1.237 1.00 25.04 H new ATOM 0 HA GLN A 81 12.431 1.808 1.923 1.00 21.30 H new ATOM 0 HB2 GLN A 81 14.314 3.340 1.887 1.00 34.11 H new ATOM 0 HB3 GLN A 81 14.303 2.242 3.253 1.00 34.11 H new ATOM 0 HG2 GLN A 81 15.991 0.850 2.254 1.00 1.01 H new ATOM 0 HG3 GLN A 81 15.878 1.705 0.728 1.00 1.01 H new ATOM 0 HE21 GLN A 81 18.343 1.374 1.937 1.00 22.11 H new ATOM 0 HE22 GLN A 81 18.930 2.934 2.522 1.00 22.11 H new ATOM 1285 N LEU A 82 12.411 0.857 -0.696 1.00 44.35 N ATOM 1286 CA LEU A 82 12.168 0.981 -2.132 1.00 63.31 C ATOM 1287 C LEU A 82 11.568 2.338 -2.513 1.00 61.05 C ATOM 1288 O LEU A 82 11.780 2.787 -3.638 1.00 54.50 O ATOM 1289 CB LEU A 82 11.275 -0.156 -2.644 1.00 4.10 C ATOM 1290 CG LEU A 82 11.896 -1.562 -2.588 1.00 40.25 C ATOM 1291 CD1 LEU A 82 10.835 -2.608 -2.947 1.00 0.11 C ATOM 1292 CD2 LEU A 82 13.094 -1.746 -3.525 1.00 13.24 C ATOM 0 H LEU A 82 11.935 0.064 -0.267 1.00 44.35 H new ATOM 0 HA LEU A 82 13.143 0.909 -2.615 1.00 63.31 H new ATOM 0 HB2 LEU A 82 10.354 -0.161 -2.062 1.00 4.10 H new ATOM 0 HB3 LEU A 82 10.998 0.059 -3.676 1.00 4.10 H new ATOM 0 HG LEU A 82 12.259 -1.691 -1.568 1.00 40.25 H new ATOM 0 HD11 LEU A 82 11.277 -3.603 -2.907 1.00 0.11 H new ATOM 0 HD12 LEU A 82 10.010 -2.548 -2.237 1.00 0.11 H new ATOM 0 HD13 LEU A 82 10.462 -2.417 -3.953 1.00 0.11 H new ATOM 0 HD21 LEU A 82 13.478 -2.762 -3.430 1.00 13.24 H new ATOM 0 HD22 LEU A 82 12.781 -1.571 -4.554 1.00 13.24 H new ATOM 0 HD23 LEU A 82 13.877 -1.036 -3.258 1.00 13.24 H new ATOM 1304 N LEU A 83 10.881 3.014 -1.581 1.00 25.42 N ATOM 1305 CA LEU A 83 10.405 4.384 -1.776 1.00 73.32 C ATOM 1306 C LEU A 83 11.540 5.352 -2.139 1.00 3.30 C ATOM 1307 O LEU A 83 11.300 6.346 -2.824 1.00 54.31 O ATOM 1308 CB LEU A 83 9.703 4.892 -0.498 1.00 22.44 C ATOM 1309 CG LEU A 83 8.183 5.068 -0.632 1.00 14.35 C ATOM 1310 CD1 LEU A 83 7.637 5.666 0.668 1.00 2.11 C ATOM 1311 CD2 LEU A 83 7.784 5.958 -1.813 1.00 43.41 C ATOM 0 H LEU A 83 10.641 2.622 -0.670 1.00 25.42 H new ATOM 0 HA LEU A 83 9.703 4.357 -2.610 1.00 73.32 H new ATOM 0 HB2 LEU A 83 9.905 4.193 0.314 1.00 22.44 H new ATOM 0 HB3 LEU A 83 10.143 5.848 -0.213 1.00 22.44 H new ATOM 0 HG LEU A 83 7.755 4.084 -0.822 1.00 14.35 H new ATOM 0 HD11 LEU A 83 6.558 5.795 0.584 1.00 2.11 H new ATOM 0 HD12 LEU A 83 7.859 4.995 1.498 1.00 2.11 H new ATOM 0 HD13 LEU A 83 8.105 6.634 0.848 1.00 2.11 H new ATOM 0 HD21 LEU A 83 6.698 6.043 -1.854 1.00 43.41 H new ATOM 0 HD22 LEU A 83 8.221 6.948 -1.686 1.00 43.41 H new ATOM 0 HD23 LEU A 83 8.148 5.517 -2.741 1.00 43.41 H new ATOM 1323 N LYS A 84 12.764 5.094 -1.669 1.00 53.11 N ATOM 1324 CA LYS A 84 13.927 5.932 -1.931 1.00 21.21 C ATOM 1325 C LYS A 84 14.916 5.222 -2.859 1.00 0.21 C ATOM 1326 O LYS A 84 15.513 5.878 -3.704 1.00 15.23 O ATOM 1327 CB LYS A 84 14.527 6.405 -0.595 1.00 33.33 C ATOM 1328 CG LYS A 84 15.849 7.145 -0.832 1.00 3.51 C ATOM 1329 CD LYS A 84 16.223 8.173 0.253 1.00 55.53 C ATOM 1330 CE LYS A 84 17.649 7.896 0.747 1.00 64.23 C ATOM 1331 NZ LYS A 84 18.125 8.827 1.790 1.00 64.22 N ATOM 0 H LYS A 84 12.973 4.283 -1.087 1.00 53.11 H new ATOM 0 HA LYS A 84 13.635 6.831 -2.474 1.00 21.21 H new ATOM 0 HB2 LYS A 84 13.822 7.062 -0.085 1.00 33.33 H new ATOM 0 HB3 LYS A 84 14.695 5.549 0.058 1.00 33.33 H new ATOM 0 HG2 LYS A 84 16.651 6.410 -0.907 1.00 3.51 H new ATOM 0 HG3 LYS A 84 15.794 7.657 -1.793 1.00 3.51 H new ATOM 0 HD2 LYS A 84 16.156 9.184 -0.149 1.00 55.53 H new ATOM 0 HD3 LYS A 84 15.520 8.113 1.084 1.00 55.53 H new ATOM 0 HE2 LYS A 84 17.694 6.879 1.137 1.00 64.23 H new ATOM 0 HE3 LYS A 84 18.330 7.942 -0.103 1.00 64.23 H new ATOM 0 HZ1 LYS A 84 19.094 8.571 2.068 1.00 64.22 H new ATOM 0 HZ2 LYS A 84 18.116 9.798 1.418 1.00 64.22 H new ATOM 0 HZ3 LYS A 84 17.500 8.768 2.619 1.00 64.22 H new ATOM 1345 N GLU A 85 15.057 3.903 -2.771 1.00 54.25 N ATOM 1346 CA GLU A 85 15.940 3.138 -3.658 1.00 41.04 C ATOM 1347 C GLU A 85 15.544 3.363 -5.112 1.00 74.20 C ATOM 1348 O GLU A 85 16.389 3.661 -5.951 1.00 52.13 O ATOM 1349 CB GLU A 85 15.886 1.633 -3.381 1.00 62.20 C ATOM 1350 CG GLU A 85 16.255 1.313 -1.936 1.00 31.35 C ATOM 1351 CD GLU A 85 17.514 0.478 -1.820 1.00 32.41 C ATOM 1352 OE1 GLU A 85 18.616 1.016 -2.040 1.00 1.31 O ATOM 1353 OE2 GLU A 85 17.422 -0.681 -1.345 1.00 52.40 O ATOM 0 H GLU A 85 14.565 3.331 -2.085 1.00 54.25 H new ATOM 0 HA GLU A 85 16.953 3.492 -3.468 1.00 41.04 H new ATOM 0 HB2 GLU A 85 14.884 1.260 -3.592 1.00 62.20 H new ATOM 0 HB3 GLU A 85 16.568 1.114 -4.054 1.00 62.20 H new ATOM 0 HG2 GLU A 85 16.391 2.244 -1.386 1.00 31.35 H new ATOM 0 HG3 GLU A 85 15.428 0.782 -1.464 1.00 31.35 H new ATOM 1360 N GLU A 86 14.254 3.179 -5.398 1.00 13.11 N ATOM 1361 CA GLU A 86 13.739 3.160 -6.750 1.00 35.32 C ATOM 1362 C GLU A 86 13.404 4.594 -7.156 1.00 33.45 C ATOM 1363 O GLU A 86 14.079 5.186 -7.995 1.00 12.44 O ATOM 1364 CB GLU A 86 12.510 2.245 -6.838 1.00 64.44 C ATOM 1365 CG GLU A 86 12.656 0.846 -6.235 1.00 21.33 C ATOM 1366 CD GLU A 86 13.348 -0.148 -7.169 1.00 2.43 C ATOM 1367 OE1 GLU A 86 14.575 -0.058 -7.410 1.00 70.20 O ATOM 1368 OE2 GLU A 86 12.694 -1.145 -7.541 1.00 72.02 O ATOM 0 H GLU A 86 13.539 3.039 -4.685 1.00 13.11 H new ATOM 0 HA GLU A 86 14.485 2.760 -7.437 1.00 35.32 H new ATOM 0 HB2 GLU A 86 11.677 2.744 -6.344 1.00 64.44 H new ATOM 0 HB3 GLU A 86 12.239 2.137 -7.888 1.00 64.44 H new ATOM 0 HG2 GLU A 86 13.223 0.916 -5.306 1.00 21.33 H new ATOM 0 HG3 GLU A 86 11.668 0.464 -5.978 1.00 21.33 H new ATOM 1375 N LEU A 87 12.364 5.149 -6.519 1.00 51.45 N ATOM 1376 CA LEU A 87 11.776 6.428 -6.898 1.00 13.11 C ATOM 1377 C LEU A 87 12.665 7.586 -6.454 1.00 51.22 C ATOM 1378 O LEU A 87 12.704 8.615 -7.123 1.00 35.52 O ATOM 1379 CB LEU A 87 10.382 6.598 -6.262 1.00 21.14 C ATOM 1380 CG LEU A 87 9.329 5.555 -6.684 1.00 22.13 C ATOM 1381 CD1 LEU A 87 8.145 5.531 -5.718 1.00 21.13 C ATOM 1382 CD2 LEU A 87 8.741 5.853 -8.055 1.00 70.32 C ATOM 0 H LEU A 87 11.907 4.713 -5.718 1.00 51.45 H new ATOM 0 HA LEU A 87 11.684 6.437 -7.984 1.00 13.11 H new ATOM 0 HB2 LEU A 87 10.490 6.562 -5.178 1.00 21.14 H new ATOM 0 HB3 LEU A 87 10.006 7.590 -6.512 1.00 21.14 H new ATOM 0 HG LEU A 87 9.860 4.603 -6.689 1.00 22.13 H new ATOM 0 HD11 LEU A 87 7.422 4.784 -6.047 1.00 21.13 H new ATOM 0 HD12 LEU A 87 8.497 5.280 -4.717 1.00 21.13 H new ATOM 0 HD13 LEU A 87 7.670 6.512 -5.700 1.00 21.13 H new ATOM 0 HD21 LEU A 87 8.004 5.091 -8.308 1.00 70.32 H new ATOM 0 HD22 LEU A 87 8.261 6.831 -8.040 1.00 70.32 H new ATOM 0 HD23 LEU A 87 9.536 5.851 -8.800 1.00 70.32 H new ATOM 1394 N GLY A 88 13.336 7.459 -5.309 1.00 23.13 N ATOM 1395 CA GLY A 88 14.150 8.535 -4.754 1.00 11.15 C ATOM 1396 C GLY A 88 13.347 9.547 -3.935 1.00 63.15 C ATOM 1397 O GLY A 88 13.780 10.699 -3.821 1.00 31.42 O ATOM 0 H GLY A 88 13.329 6.610 -4.744 1.00 23.13 H new ATOM 0 HA2 GLY A 88 14.927 8.104 -4.123 1.00 11.15 H new ATOM 0 HA3 GLY A 88 14.653 9.056 -5.568 1.00 11.15 H new ATOM 1401 N PHE A 89 12.178 9.183 -3.393 1.00 23.41 N ATOM 1402 CA PHE A 89 11.475 10.044 -2.449 1.00 43.01 C ATOM 1403 C PHE A 89 12.195 10.026 -1.100 1.00 42.53 C ATOM 1404 O PHE A 89 12.161 9.019 -0.391 1.00 5.05 O ATOM 1405 CB PHE A 89 10.012 9.643 -2.285 1.00 43.44 C ATOM 1406 CG PHE A 89 9.333 10.244 -1.069 1.00 71.52 C ATOM 1407 CD1 PHE A 89 9.385 11.631 -0.803 1.00 34.34 C ATOM 1408 CD2 PHE A 89 8.694 9.379 -0.166 1.00 20.01 C ATOM 1409 CE1 PHE A 89 8.841 12.133 0.395 1.00 73.11 C ATOM 1410 CE2 PHE A 89 8.138 9.881 1.016 1.00 40.13 C ATOM 1411 CZ PHE A 89 8.232 11.250 1.298 1.00 31.51 C ATOM 0 H PHE A 89 11.705 8.302 -3.594 1.00 23.41 H new ATOM 0 HA PHE A 89 11.482 11.058 -2.850 1.00 43.01 H new ATOM 0 HB2 PHE A 89 9.463 9.942 -3.178 1.00 43.44 H new ATOM 0 HB3 PHE A 89 9.950 8.557 -2.221 1.00 43.44 H new ATOM 0 HD1 PHE A 89 9.840 12.303 -1.515 1.00 34.34 H new ATOM 0 HD2 PHE A 89 8.631 8.323 -0.384 1.00 20.01 H new ATOM 0 HE1 PHE A 89 8.892 13.189 0.616 1.00 73.11 H new ATOM 0 HE2 PHE A 89 7.639 9.217 1.707 1.00 40.13 H new ATOM 0 HZ PHE A 89 7.829 11.631 2.225 1.00 31.51 H new ATOM 1421 N ALA A 90 12.769 11.162 -0.707 1.00 23.11 N ATOM 1422 CA ALA A 90 13.059 11.477 0.682 1.00 62.12 C ATOM 1423 C ALA A 90 12.789 12.964 0.879 1.00 41.14 C ATOM 1424 O ALA A 90 13.616 13.797 0.488 1.00 55.15 O ATOM 1425 CB ALA A 90 14.496 11.158 1.054 1.00 13.31 C ATOM 0 H ALA A 90 13.048 11.897 -1.357 1.00 23.11 H new ATOM 0 HA ALA A 90 12.426 10.868 1.327 1.00 62.12 H new ATOM 0 HB1 ALA A 90 14.665 11.410 2.101 1.00 13.31 H new ATOM 0 HB2 ALA A 90 14.684 10.095 0.902 1.00 13.31 H new ATOM 0 HB3 ALA A 90 15.172 11.739 0.427 1.00 13.31 H new ATOM 1431 N GLY A 91 11.640 13.324 1.447 1.00 72.43 N ATOM 1432 CA GLY A 91 11.352 14.732 1.694 1.00 51.42 C ATOM 1433 C GLY A 91 10.584 15.040 2.963 1.00 31.45 C ATOM 1434 O GLY A 91 10.566 16.197 3.391 1.00 41.41 O ATOM 0 H GLY A 91 10.909 12.676 1.739 1.00 72.43 H new ATOM 0 HA2 GLY A 91 12.296 15.276 1.723 1.00 51.42 H new ATOM 0 HA3 GLY A 91 10.786 15.121 0.847 1.00 51.42 H new ATOM 1438 N TYR A 92 9.989 14.032 3.594 1.00 61.34 N ATOM 1439 CA TYR A 92 9.448 14.153 4.941 1.00 50.45 C ATOM 1440 C TYR A 92 10.609 14.272 5.929 1.00 31.22 C ATOM 1441 O TYR A 92 11.162 13.262 6.376 1.00 14.54 O ATOM 1442 CB TYR A 92 8.505 12.989 5.277 1.00 11.42 C ATOM 1443 CG TYR A 92 7.297 12.829 4.372 1.00 53.41 C ATOM 1444 CD1 TYR A 92 6.974 13.799 3.401 1.00 72.12 C ATOM 1445 CD2 TYR A 92 6.519 11.659 4.457 1.00 73.14 C ATOM 1446 CE1 TYR A 92 5.904 13.597 2.519 1.00 62.42 C ATOM 1447 CE2 TYR A 92 5.414 11.477 3.601 1.00 14.14 C ATOM 1448 CZ TYR A 92 5.095 12.445 2.623 1.00 1.52 C ATOM 1449 OH TYR A 92 4.007 12.278 1.820 1.00 32.04 O ATOM 0 H TYR A 92 9.869 13.106 3.183 1.00 61.34 H new ATOM 0 HA TYR A 92 8.839 15.054 5.012 1.00 50.45 H new ATOM 0 HB2 TYR A 92 9.079 12.063 5.250 1.00 11.42 H new ATOM 0 HB3 TYR A 92 8.153 13.117 6.301 1.00 11.42 H new ATOM 0 HD1 TYR A 92 7.557 14.706 3.336 1.00 72.12 H new ATOM 0 HD2 TYR A 92 6.770 10.898 5.181 1.00 73.14 H new ATOM 0 HE1 TYR A 92 5.696 14.329 1.753 1.00 62.42 H new ATOM 0 HE2 TYR A 92 4.806 10.589 3.694 1.00 14.14 H new ATOM 0 HH TYR A 92 3.571 11.426 2.032 1.00 32.04 H new ATOM 1459 N SER A 93 11.003 15.510 6.213 1.00 50.14 N ATOM 1460 CA SER A 93 11.953 15.906 7.241 1.00 75.24 C ATOM 1461 C SER A 93 11.453 15.465 8.616 1.00 64.12 C ATOM 1462 O SER A 93 10.272 15.184 8.811 1.00 5.31 O ATOM 1463 CB SER A 93 12.134 17.441 7.202 1.00 60.53 C ATOM 1464 OG SER A 93 11.098 18.123 6.512 1.00 11.21 O ATOM 0 H SER A 93 10.643 16.313 5.697 1.00 50.14 H new ATOM 0 HA SER A 93 12.913 15.425 7.054 1.00 75.24 H new ATOM 0 HB2 SER A 93 12.186 17.817 8.224 1.00 60.53 H new ATOM 0 HB3 SER A 93 13.088 17.673 6.728 1.00 60.53 H new ATOM 0 HG SER A 93 11.274 19.087 6.527 1.00 11.21 H new ATOM 1470 N ILE A 94 12.344 15.486 9.605 1.00 41.00 N ATOM 1471 CA ILE A 94 11.956 15.195 10.981 1.00 15.22 C ATOM 1472 C ILE A 94 10.851 16.132 11.473 1.00 24.45 C ATOM 1473 O ILE A 94 9.916 15.687 12.131 1.00 0.45 O ATOM 1474 CB ILE A 94 13.175 15.157 11.909 1.00 2.13 C ATOM 1475 CG1 ILE A 94 12.763 14.800 13.355 1.00 51.44 C ATOM 1476 CG2 ILE A 94 13.975 16.467 11.895 1.00 2.05 C ATOM 1477 CD1 ILE A 94 12.143 13.400 13.491 1.00 65.53 C ATOM 0 H ILE A 94 13.333 15.700 9.479 1.00 41.00 H new ATOM 0 HA ILE A 94 11.525 14.194 11.001 1.00 15.22 H new ATOM 0 HB ILE A 94 13.828 14.375 11.521 1.00 2.13 H new ATOM 0 HG12 ILE A 94 13.639 14.864 14.000 1.00 51.44 H new ATOM 0 HG13 ILE A 94 12.049 15.541 13.714 1.00 51.44 H new ATOM 0 HG21 ILE A 94 14.826 16.381 12.571 1.00 2.05 H new ATOM 0 HG22 ILE A 94 14.333 16.664 10.884 1.00 2.05 H new ATOM 0 HG23 ILE A 94 13.335 17.287 12.220 1.00 2.05 H new ATOM 0 HD11 ILE A 94 11.879 13.219 14.533 1.00 65.53 H new ATOM 0 HD12 ILE A 94 11.247 13.337 12.873 1.00 65.53 H new ATOM 0 HD13 ILE A 94 12.863 12.650 13.164 1.00 65.53 H new ATOM 1489 N ASN A 95 10.936 17.414 11.112 1.00 31.21 N ATOM 1490 CA ASN A 95 9.961 18.422 11.530 1.00 4.34 C ATOM 1491 C ASN A 95 8.570 18.104 10.974 1.00 0.53 C ATOM 1492 O ASN A 95 7.548 18.560 11.492 1.00 51.41 O ATOM 1493 CB ASN A 95 10.335 19.823 11.009 1.00 64.15 C ATOM 1494 CG ASN A 95 11.821 20.117 11.076 1.00 52.54 C ATOM 1495 OD1 ASN A 95 12.369 20.327 12.148 1.00 64.52 O ATOM 1496 ND2 ASN A 95 12.507 20.057 9.946 1.00 52.12 N ATOM 0 H ASN A 95 11.682 17.782 10.522 1.00 31.21 H new ATOM 0 HA ASN A 95 9.960 18.408 12.620 1.00 4.34 H new ATOM 0 HB2 ASN A 95 10.000 19.919 9.976 1.00 64.15 H new ATOM 0 HB3 ASN A 95 9.798 20.573 11.589 1.00 64.15 H new ATOM 0 HD21 ASN A 95 13.519 20.187 9.956 1.00 52.12 H new ATOM 0 HD22 ASN A 95 12.024 19.880 9.065 1.00 52.12 H new ATOM 1503 N GLU A 96 8.536 17.349 9.881 1.00 62.53 N ATOM 1504 CA GLU A 96 7.375 17.082 9.061 1.00 20.51 C ATOM 1505 C GLU A 96 6.770 15.726 9.392 1.00 23.43 C ATOM 1506 O GLU A 96 5.737 15.398 8.834 1.00 73.11 O ATOM 1507 CB GLU A 96 7.840 17.076 7.593 1.00 2.45 C ATOM 1508 CG GLU A 96 7.968 18.482 7.011 1.00 22.42 C ATOM 1509 CD GLU A 96 6.606 19.063 6.630 1.00 15.24 C ATOM 1510 OE1 GLU A 96 5.689 18.309 6.233 1.00 23.25 O ATOM 1511 OE2 GLU A 96 6.474 20.304 6.576 1.00 33.01 O ATOM 0 H GLU A 96 9.372 16.882 9.529 1.00 62.53 H new ATOM 0 HA GLU A 96 6.617 17.844 9.242 1.00 20.51 H new ATOM 0 HB2 GLU A 96 8.802 16.569 7.523 1.00 2.45 H new ATOM 0 HB3 GLU A 96 7.133 16.502 6.994 1.00 2.45 H new ATOM 0 HG2 GLU A 96 8.451 19.134 7.738 1.00 22.42 H new ATOM 0 HG3 GLU A 96 8.611 18.454 6.131 1.00 22.42 H new ATOM 1518 N LEU A 97 7.401 14.888 10.213 1.00 45.31 N ATOM 1519 CA LEU A 97 7.116 13.459 10.249 1.00 2.33 C ATOM 1520 C LEU A 97 5.846 13.150 11.063 1.00 53.24 C ATOM 1521 O LEU A 97 5.898 12.608 12.170 1.00 42.01 O ATOM 1522 CB LEU A 97 8.400 12.723 10.707 1.00 0.03 C ATOM 1523 CG LEU A 97 9.162 12.027 9.560 1.00 23.51 C ATOM 1524 CD1 LEU A 97 10.463 11.424 10.106 1.00 63.51 C ATOM 1525 CD2 LEU A 97 8.356 10.902 8.895 1.00 23.32 C ATOM 0 H LEU A 97 8.123 15.183 10.870 1.00 45.31 H new ATOM 0 HA LEU A 97 6.868 13.081 9.257 1.00 2.33 H new ATOM 0 HB2 LEU A 97 9.065 13.439 11.191 1.00 0.03 H new ATOM 0 HB3 LEU A 97 8.133 11.979 11.457 1.00 0.03 H new ATOM 0 HG LEU A 97 9.355 12.790 8.806 1.00 23.51 H new ATOM 0 HD11 LEU A 97 11.003 10.932 9.297 1.00 63.51 H new ATOM 0 HD12 LEU A 97 11.083 12.216 10.527 1.00 63.51 H new ATOM 0 HD13 LEU A 97 10.229 10.695 10.882 1.00 63.51 H new ATOM 0 HD21 LEU A 97 8.948 10.453 8.097 1.00 23.32 H new ATOM 0 HD22 LEU A 97 8.112 10.142 9.637 1.00 23.32 H new ATOM 0 HD23 LEU A 97 7.436 11.311 8.478 1.00 23.32 H new ATOM 1537 N VAL A 98 4.678 13.460 10.485 1.00 5.42 N ATOM 1538 CA VAL A 98 3.386 13.412 11.165 1.00 24.13 C ATOM 1539 C VAL A 98 2.625 12.131 10.802 1.00 2.05 C ATOM 1540 O VAL A 98 2.745 11.639 9.673 1.00 14.11 O ATOM 1541 CB VAL A 98 2.543 14.659 10.811 1.00 72.45 C ATOM 1542 CG1 VAL A 98 3.276 15.965 11.104 1.00 21.12 C ATOM 1543 CG2 VAL A 98 2.111 14.689 9.341 1.00 1.23 C ATOM 0 H VAL A 98 4.608 13.757 9.512 1.00 5.42 H new ATOM 0 HA VAL A 98 3.567 13.407 12.240 1.00 24.13 H new ATOM 0 HB VAL A 98 1.663 14.577 11.448 1.00 72.45 H new ATOM 0 HG11 VAL A 98 2.639 16.808 10.837 1.00 21.12 H new ATOM 0 HG12 VAL A 98 3.519 16.016 12.165 1.00 21.12 H new ATOM 0 HG13 VAL A 98 4.195 16.006 10.519 1.00 21.12 H new ATOM 0 HG21 VAL A 98 1.523 15.587 9.153 1.00 1.23 H new ATOM 0 HG22 VAL A 98 2.994 14.693 8.702 1.00 1.23 H new ATOM 0 HG23 VAL A 98 1.508 13.808 9.121 1.00 1.23 H new ATOM 1553 N PRO A 99 1.730 11.653 11.681 1.00 64.10 N ATOM 1554 CA PRO A 99 0.891 10.501 11.400 1.00 3.22 C ATOM 1555 C PRO A 99 -0.147 10.769 10.303 1.00 0.35 C ATOM 1556 O PRO A 99 -0.696 9.814 9.767 1.00 53.23 O ATOM 1557 CB PRO A 99 0.253 10.134 12.739 1.00 1.34 C ATOM 1558 CG PRO A 99 0.169 11.476 13.448 1.00 25.33 C ATOM 1559 CD PRO A 99 1.477 12.137 13.028 1.00 64.53 C ATOM 0 HA PRO A 99 1.477 9.675 10.998 1.00 3.22 H new ATOM 0 HB2 PRO A 99 -0.731 9.683 12.609 1.00 1.34 H new ATOM 0 HB3 PRO A 99 0.860 9.420 13.295 1.00 1.34 H new ATOM 0 HG2 PRO A 99 -0.700 12.052 13.130 1.00 25.33 H new ATOM 0 HG3 PRO A 99 0.098 11.363 14.530 1.00 25.33 H new ATOM 0 HD2 PRO A 99 1.394 13.224 13.047 1.00 64.53 H new ATOM 0 HD3 PRO A 99 2.289 11.868 13.703 1.00 64.53 H new ATOM 1567 N ARG A 100 -0.401 12.022 9.893 1.00 64.13 N ATOM 1568 CA ARG A 100 -1.201 12.258 8.684 1.00 54.22 C ATOM 1569 C ARG A 100 -0.406 12.125 7.380 1.00 11.04 C ATOM 1570 O ARG A 100 -0.987 12.316 6.315 1.00 75.04 O ATOM 1571 CB ARG A 100 -1.975 13.594 8.767 1.00 60.43 C ATOM 1572 CG ARG A 100 -3.314 13.436 9.518 1.00 33.33 C ATOM 1573 CD ARG A 100 -4.371 14.465 9.084 1.00 24.32 C ATOM 1574 NE ARG A 100 -4.780 14.277 7.679 1.00 54.30 N ATOM 1575 CZ ARG A 100 -5.862 13.653 7.197 1.00 35.14 C ATOM 1576 NH1 ARG A 100 -6.840 13.257 8.001 1.00 42.22 N ATOM 1577 NH2 ARG A 100 -5.958 13.426 5.892 1.00 74.34 N ATOM 0 H ARG A 100 -0.074 12.864 10.366 1.00 64.13 H new ATOM 0 HA ARG A 100 -1.935 11.453 8.650 1.00 54.22 H new ATOM 0 HB2 ARG A 100 -1.361 14.339 9.273 1.00 60.43 H new ATOM 0 HB3 ARG A 100 -2.165 13.967 7.761 1.00 60.43 H new ATOM 0 HG2 ARG A 100 -3.702 12.431 9.350 1.00 33.33 H new ATOM 0 HG3 ARG A 100 -3.137 13.534 10.589 1.00 33.33 H new ATOM 0 HD2 ARG A 100 -5.245 14.382 9.730 1.00 24.32 H new ATOM 0 HD3 ARG A 100 -3.973 15.471 9.214 1.00 24.32 H new ATOM 0 HE ARG A 100 -4.154 14.677 6.980 1.00 54.30 H new ATOM 0 HH11 ARG A 100 -6.775 13.427 9.005 1.00 42.22 H new ATOM 0 HH12 ARG A 100 -7.657 12.783 7.615 1.00 42.22 H new ATOM 0 HH21 ARG A 100 -5.211 13.726 5.266 1.00 74.34 H new ATOM 0 HH22 ARG A 100 -6.779 12.951 5.516 1.00 74.34 H new ATOM 1591 N LYS A 101 0.894 11.796 7.412 1.00 15.34 N ATOM 1592 CA LYS A 101 1.691 11.668 6.188 1.00 11.20 C ATOM 1593 C LYS A 101 2.494 10.378 6.142 1.00 71.13 C ATOM 1594 O LYS A 101 2.646 9.814 5.061 1.00 54.24 O ATOM 1595 CB LYS A 101 2.531 12.940 5.978 1.00 63.45 C ATOM 1596 CG LYS A 101 3.949 12.896 6.556 1.00 71.44 C ATOM 1597 CD LYS A 101 4.660 14.250 6.479 1.00 61.00 C ATOM 1598 CE LYS A 101 4.713 14.975 5.143 1.00 63.13 C ATOM 1599 NZ LYS A 101 4.112 16.315 5.203 1.00 34.24 N ATOM 0 H LYS A 101 1.413 11.615 8.271 1.00 15.34 H new ATOM 0 HA LYS A 101 1.015 11.585 5.337 1.00 11.20 H new ATOM 0 HB2 LYS A 101 2.599 13.137 4.908 1.00 63.45 H new ATOM 0 HB3 LYS A 101 2.001 13.782 6.424 1.00 63.45 H new ATOM 0 HG2 LYS A 101 3.903 12.573 7.596 1.00 71.44 H new ATOM 0 HG3 LYS A 101 4.534 12.152 6.016 1.00 71.44 H new ATOM 0 HD2 LYS A 101 4.181 14.916 7.197 1.00 61.00 H new ATOM 0 HD3 LYS A 101 5.686 14.103 6.816 1.00 61.00 H new ATOM 0 HE2 LYS A 101 5.751 15.060 4.821 1.00 63.13 H new ATOM 0 HE3 LYS A 101 4.194 14.381 4.391 1.00 63.13 H new ATOM 0 HZ1 LYS A 101 3.973 16.677 4.238 1.00 34.24 H new ATOM 0 HZ2 LYS A 101 3.194 16.262 5.689 1.00 34.24 H new ATOM 0 HZ3 LYS A 101 4.744 16.956 5.725 1.00 34.24 H new ATOM 1613 N THR A 102 2.965 9.865 7.276 1.00 13.02 N ATOM 1614 CA THR A 102 3.735 8.625 7.290 1.00 2.13 C ATOM 1615 C THR A 102 2.915 7.458 6.755 1.00 72.44 C ATOM 1616 O THR A 102 3.416 6.645 5.980 1.00 2.32 O ATOM 1617 CB THR A 102 4.223 8.325 8.707 1.00 52.54 C ATOM 1618 OG1 THR A 102 3.178 8.431 9.652 1.00 54.44 O ATOM 1619 CG2 THR A 102 5.342 9.286 9.086 1.00 34.15 C ATOM 0 H THR A 102 2.827 10.287 8.194 1.00 13.02 H new ATOM 0 HA THR A 102 4.597 8.755 6.636 1.00 2.13 H new ATOM 0 HB THR A 102 4.591 7.299 8.718 1.00 52.54 H new ATOM 0 HG1 THR A 102 3.525 8.231 10.547 1.00 54.44 H new ATOM 0 HG21 THR A 102 5.684 9.065 10.097 1.00 34.15 H new ATOM 0 HG22 THR A 102 6.172 9.171 8.389 1.00 34.15 H new ATOM 0 HG23 THR A 102 4.972 10.310 9.044 1.00 34.15 H new ATOM 1627 N ARG A 103 1.626 7.419 7.104 1.00 54.15 N ATOM 1628 CA ARG A 103 0.682 6.373 6.724 1.00 34.14 C ATOM 1629 C ARG A 103 0.750 6.108 5.222 1.00 12.45 C ATOM 1630 O ARG A 103 1.014 4.980 4.801 1.00 41.43 O ATOM 1631 CB ARG A 103 -0.725 6.802 7.176 1.00 51.32 C ATOM 1632 CG ARG A 103 -1.027 6.571 8.667 1.00 73.33 C ATOM 1633 CD ARG A 103 0.058 6.857 9.698 1.00 2.23 C ATOM 1634 NE ARG A 103 -0.524 6.815 11.048 1.00 3.13 N ATOM 1635 CZ ARG A 103 0.147 6.879 12.199 1.00 61.43 C ATOM 1636 NH1 ARG A 103 1.470 6.989 12.210 1.00 31.34 N ATOM 1637 NH2 ARG A 103 -0.519 6.876 13.344 1.00 13.34 N ATOM 0 H ARG A 103 1.199 8.144 7.681 1.00 54.15 H new ATOM 0 HA ARG A 103 0.937 5.434 7.215 1.00 34.14 H new ATOM 0 HB2 ARG A 103 -0.854 7.861 6.954 1.00 51.32 H new ATOM 0 HB3 ARG A 103 -1.462 6.260 6.583 1.00 51.32 H new ATOM 0 HG2 ARG A 103 -1.893 7.180 8.925 1.00 73.33 H new ATOM 0 HG3 ARG A 103 -1.324 5.529 8.784 1.00 73.33 H new ATOM 0 HD2 ARG A 103 0.858 6.122 9.613 1.00 2.23 H new ATOM 0 HD3 ARG A 103 0.502 7.835 9.512 1.00 2.23 H new ATOM 0 HE ARG A 103 -1.538 6.729 11.110 1.00 3.13 H new ATOM 0 HH11 ARG A 103 1.986 7.026 11.331 1.00 31.34 H new ATOM 0 HH12 ARG A 103 1.970 7.037 13.098 1.00 31.34 H new ATOM 0 HH21 ARG A 103 -1.538 6.825 13.341 1.00 13.34 H new ATOM 0 HH22 ARG A 103 -0.013 6.925 14.228 1.00 13.34 H new ATOM 1651 N ARG A 104 0.548 7.152 4.413 1.00 75.44 N ATOM 1652 CA ARG A 104 0.574 7.016 2.963 1.00 20.25 C ATOM 1653 C ARG A 104 1.951 6.663 2.407 1.00 5.25 C ATOM 1654 O ARG A 104 2.009 6.009 1.373 1.00 65.32 O ATOM 1655 CB ARG A 104 -0.052 8.238 2.286 1.00 1.21 C ATOM 1656 CG ARG A 104 0.685 9.579 2.412 1.00 33.43 C ATOM 1657 CD ARG A 104 -0.077 10.683 1.667 1.00 12.21 C ATOM 1658 NE ARG A 104 0.536 12.004 1.881 1.00 60.25 N ATOM 1659 CZ ARG A 104 0.226 13.131 1.225 1.00 51.02 C ATOM 1660 NH1 ARG A 104 -0.467 13.120 0.093 1.00 51.51 N ATOM 1661 NH2 ARG A 104 0.628 14.291 1.726 1.00 74.12 N ATOM 0 H ARG A 104 0.365 8.100 4.743 1.00 75.44 H new ATOM 0 HA ARG A 104 -0.046 6.154 2.716 1.00 20.25 H new ATOM 0 HB2 ARG A 104 -0.162 8.014 1.225 1.00 1.21 H new ATOM 0 HB3 ARG A 104 -1.056 8.368 2.690 1.00 1.21 H new ATOM 0 HG2 ARG A 104 0.788 9.846 3.464 1.00 33.43 H new ATOM 0 HG3 ARG A 104 1.692 9.487 2.006 1.00 33.43 H new ATOM 0 HD2 ARG A 104 -0.094 10.458 0.601 1.00 12.21 H new ATOM 0 HD3 ARG A 104 -1.113 10.703 2.006 1.00 12.21 H new ATOM 0 HE ARG A 104 1.263 12.068 2.594 1.00 60.25 H new ATOM 0 HH11 ARG A 104 -0.781 12.235 -0.304 1.00 51.51 H new ATOM 0 HH12 ARG A 104 -0.685 13.997 -0.380 1.00 51.51 H new ATOM 0 HH21 ARG A 104 1.162 14.314 2.595 1.00 74.12 H new ATOM 0 HH22 ARG A 104 0.403 15.161 1.243 1.00 74.12 H new ATOM 1675 N ALA A 105 3.051 7.023 3.076 1.00 3.30 N ATOM 1676 CA ALA A 105 4.382 6.573 2.667 1.00 31.02 C ATOM 1677 C ALA A 105 4.595 5.073 2.939 1.00 3.01 C ATOM 1678 O ALA A 105 5.155 4.374 2.093 1.00 62.01 O ATOM 1679 CB ALA A 105 5.455 7.426 3.342 1.00 42.42 C ATOM 0 H ALA A 105 3.045 7.623 3.901 1.00 3.30 H new ATOM 0 HA ALA A 105 4.465 6.704 1.588 1.00 31.02 H new ATOM 0 HB1 ALA A 105 6.442 7.083 3.031 1.00 42.42 H new ATOM 0 HB2 ALA A 105 5.326 8.469 3.053 1.00 42.42 H new ATOM 0 HB3 ALA A 105 5.364 7.336 4.424 1.00 42.42 H new ATOM 1685 N THR A 106 4.133 4.548 4.081 1.00 62.24 N ATOM 1686 CA THR A 106 4.319 3.135 4.412 1.00 11.55 C ATOM 1687 C THR A 106 3.726 2.236 3.316 1.00 34.31 C ATOM 1688 O THR A 106 4.373 1.279 2.884 1.00 54.44 O ATOM 1689 CB THR A 106 3.692 2.841 5.785 1.00 21.10 C ATOM 1690 OG1 THR A 106 4.120 3.766 6.775 1.00 3.43 O ATOM 1691 CG2 THR A 106 4.001 1.426 6.277 1.00 33.53 C ATOM 0 H THR A 106 3.629 5.082 4.789 1.00 62.24 H new ATOM 0 HA THR A 106 5.385 2.916 4.466 1.00 11.55 H new ATOM 0 HB THR A 106 2.617 2.939 5.637 1.00 21.10 H new ATOM 0 HG1 THR A 106 3.698 3.546 7.632 1.00 3.43 H new ATOM 0 HG21 THR A 106 3.536 1.269 7.250 1.00 33.53 H new ATOM 0 HG22 THR A 106 3.608 0.700 5.566 1.00 33.53 H new ATOM 0 HG23 THR A 106 5.080 1.299 6.366 1.00 33.53 H new ATOM 1699 N MET A 107 2.512 2.548 2.847 1.00 30.22 N ATOM 1700 CA MET A 107 1.877 1.782 1.779 1.00 3.24 C ATOM 1701 C MET A 107 2.614 1.925 0.448 1.00 5.32 C ATOM 1702 O MET A 107 2.656 0.955 -0.305 1.00 2.45 O ATOM 1703 CB MET A 107 0.404 2.165 1.602 1.00 64.14 C ATOM 1704 CG MET A 107 0.210 3.664 1.360 1.00 21.20 C ATOM 1705 SD MET A 107 -1.425 4.228 0.853 1.00 34.33 S ATOM 1706 CE MET A 107 -2.410 3.480 2.156 1.00 14.34 C ATOM 0 H MET A 107 1.953 3.327 3.194 1.00 30.22 H new ATOM 0 HA MET A 107 1.930 0.737 2.086 1.00 3.24 H new ATOM 0 HB2 MET A 107 -0.014 1.608 0.763 1.00 64.14 H new ATOM 0 HB3 MET A 107 -0.154 1.869 2.491 1.00 64.14 H new ATOM 0 HG2 MET A 107 0.476 4.189 2.278 1.00 21.20 H new ATOM 0 HG3 MET A 107 0.923 3.975 0.597 1.00 21.20 H new ATOM 0 HE1 MET A 107 -3.177 4.183 2.481 1.00 14.34 H new ATOM 0 HE2 MET A 107 -2.884 2.574 1.779 1.00 14.34 H new ATOM 0 HE3 MET A 107 -1.767 3.229 3.000 1.00 14.34 H new ATOM 1716 N THR A 108 3.217 3.079 0.135 1.00 44.20 N ATOM 1717 CA THR A 108 3.926 3.213 -1.130 1.00 51.14 C ATOM 1718 C THR A 108 5.104 2.240 -1.144 1.00 44.10 C ATOM 1719 O THR A 108 5.269 1.510 -2.116 1.00 33.12 O ATOM 1720 CB THR A 108 4.358 4.662 -1.431 1.00 74.53 C ATOM 1721 OG1 THR A 108 3.986 5.589 -0.441 1.00 51.44 O ATOM 1722 CG2 THR A 108 3.793 5.150 -2.763 1.00 62.13 C ATOM 0 H THR A 108 3.226 3.910 0.727 1.00 44.20 H new ATOM 0 HA THR A 108 3.240 2.956 -1.937 1.00 51.14 H new ATOM 0 HB THR A 108 5.447 4.616 -1.463 1.00 74.53 H new ATOM 0 HG1 THR A 108 3.996 6.493 -0.819 1.00 51.44 H new ATOM 0 HG21 THR A 108 4.118 6.175 -2.942 1.00 62.13 H new ATOM 0 HG22 THR A 108 4.153 4.509 -3.568 1.00 62.13 H new ATOM 0 HG23 THR A 108 2.704 5.115 -2.731 1.00 62.13 H new ATOM 1730 N ASN A 109 5.868 2.130 -0.046 1.00 63.25 N ATOM 1731 CA ASN A 109 6.964 1.159 0.005 1.00 32.42 C ATOM 1732 C ASN A 109 6.468 -0.282 -0.165 1.00 41.13 C ATOM 1733 O ASN A 109 7.193 -1.113 -0.711 1.00 12.31 O ATOM 1734 CB ASN A 109 7.778 1.293 1.295 1.00 14.10 C ATOM 1735 CG ASN A 109 9.162 0.659 1.143 1.00 34.21 C ATOM 1736 OD1 ASN A 109 10.146 1.372 1.006 1.00 72.14 O ATOM 1737 ND2 ASN A 109 9.284 -0.662 1.191 1.00 72.12 N ATOM 0 H ASN A 109 5.749 2.689 0.799 1.00 63.25 H new ATOM 0 HA ASN A 109 7.617 1.388 -0.837 1.00 32.42 H new ATOM 0 HB2 ASN A 109 7.884 2.347 1.554 1.00 14.10 H new ATOM 0 HB3 ASN A 109 7.244 0.815 2.116 1.00 14.10 H new ATOM 0 HD21 ASN A 109 10.206 -1.092 1.113 1.00 72.12 H new ATOM 0 HD22 ASN A 109 8.456 -1.247 1.306 1.00 72.12 H new ATOM 1744 N TRP A 110 5.257 -0.598 0.305 1.00 24.40 N ATOM 1745 CA TRP A 110 4.649 -1.896 0.040 1.00 72.14 C ATOM 1746 C TRP A 110 4.321 -2.044 -1.450 1.00 10.14 C ATOM 1747 O TRP A 110 4.559 -3.112 -1.993 1.00 64.14 O ATOM 1748 CB TRP A 110 3.407 -2.117 0.913 1.00 10.42 C ATOM 1749 CG TRP A 110 2.704 -3.414 0.658 1.00 31.20 C ATOM 1750 CD1 TRP A 110 2.886 -4.572 1.331 1.00 63.13 C ATOM 1751 CD2 TRP A 110 1.704 -3.705 -0.366 1.00 64.33 C ATOM 1752 NE1 TRP A 110 2.099 -5.559 0.767 1.00 13.51 N ATOM 1753 CE2 TRP A 110 1.380 -5.090 -0.306 1.00 42.40 C ATOM 1754 CE3 TRP A 110 1.044 -2.936 -1.344 1.00 52.42 C ATOM 1755 CZ2 TRP A 110 0.508 -5.699 -1.214 1.00 72.12 C ATOM 1756 CZ3 TRP A 110 0.136 -3.526 -2.241 1.00 62.55 C ATOM 1757 CH2 TRP A 110 -0.116 -4.908 -2.191 1.00 54.02 C ATOM 0 H TRP A 110 4.683 0.029 0.869 1.00 24.40 H new ATOM 0 HA TRP A 110 5.371 -2.669 0.303 1.00 72.14 H new ATOM 0 HB2 TRP A 110 3.701 -2.075 1.962 1.00 10.42 H new ATOM 0 HB3 TRP A 110 2.708 -1.298 0.745 1.00 10.42 H new ATOM 0 HD1 TRP A 110 3.544 -4.705 2.177 1.00 63.13 H new ATOM 0 HE1 TRP A 110 2.057 -6.520 1.107 1.00 13.51 H new ATOM 0 HE3 TRP A 110 1.239 -1.875 -1.406 1.00 52.42 H new ATOM 0 HZ2 TRP A 110 0.318 -6.761 -1.164 1.00 72.12 H new ATOM 0 HZ3 TRP A 110 -0.371 -2.914 -2.972 1.00 62.55 H new ATOM 0 HH2 TRP A 110 -0.789 -5.361 -2.904 1.00 54.02 H new ATOM 1768 N LEU A 111 3.818 -1.010 -2.135 1.00 31.40 N ATOM 1769 CA LEU A 111 3.472 -1.106 -3.557 1.00 53.13 C ATOM 1770 C LEU A 111 4.709 -1.399 -4.416 1.00 3.51 C ATOM 1771 O LEU A 111 4.611 -2.174 -5.368 1.00 71.44 O ATOM 1772 CB LEU A 111 2.748 0.160 -4.057 1.00 0.04 C ATOM 1773 CG LEU A 111 1.272 0.265 -3.617 1.00 71.54 C ATOM 1774 CD1 LEU A 111 0.749 1.702 -3.727 1.00 24.44 C ATOM 1775 CD2 LEU A 111 0.367 -0.641 -4.466 1.00 42.12 C ATOM 0 H LEU A 111 3.641 -0.093 -1.724 1.00 31.40 H new ATOM 0 HA LEU A 111 2.782 -1.944 -3.660 1.00 53.13 H new ATOM 0 HB2 LEU A 111 3.285 1.037 -3.697 1.00 0.04 H new ATOM 0 HB3 LEU A 111 2.793 0.183 -5.146 1.00 0.04 H new ATOM 0 HG LEU A 111 1.242 -0.055 -2.576 1.00 71.54 H new ATOM 0 HD11 LEU A 111 -0.293 1.735 -3.409 1.00 24.44 H new ATOM 0 HD12 LEU A 111 1.344 2.356 -3.089 1.00 24.44 H new ATOM 0 HD13 LEU A 111 0.823 2.038 -4.761 1.00 24.44 H new ATOM 0 HD21 LEU A 111 -0.665 -0.543 -4.129 1.00 42.12 H new ATOM 0 HD22 LEU A 111 0.437 -0.347 -5.513 1.00 42.12 H new ATOM 0 HD23 LEU A 111 0.686 -1.678 -4.359 1.00 42.12 H new ATOM 1787 N LEU A 112 5.887 -0.850 -4.084 1.00 43.44 N ATOM 1788 CA LEU A 112 7.119 -1.270 -4.740 1.00 44.33 C ATOM 1789 C LEU A 112 7.412 -2.743 -4.460 1.00 24.23 C ATOM 1790 O LEU A 112 7.687 -3.495 -5.394 1.00 34.53 O ATOM 1791 CB LEU A 112 8.322 -0.427 -4.302 1.00 72.31 C ATOM 1792 CG LEU A 112 8.412 1.028 -4.782 1.00 32.41 C ATOM 1793 CD1 LEU A 112 8.173 1.146 -6.282 1.00 2.11 C ATOM 1794 CD2 LEU A 112 7.540 1.993 -3.994 1.00 73.41 C ATOM 0 H LEU A 112 6.005 -0.126 -3.376 1.00 43.44 H new ATOM 0 HA LEU A 112 6.966 -1.123 -5.809 1.00 44.33 H new ATOM 0 HB2 LEU A 112 8.341 -0.418 -3.212 1.00 72.31 H new ATOM 0 HB3 LEU A 112 9.225 -0.941 -4.632 1.00 72.31 H new ATOM 0 HG LEU A 112 9.439 1.335 -4.582 1.00 32.41 H new ATOM 0 HD11 LEU A 112 8.245 2.192 -6.581 1.00 2.11 H new ATOM 0 HD12 LEU A 112 8.923 0.563 -6.817 1.00 2.11 H new ATOM 0 HD13 LEU A 112 7.180 0.768 -6.523 1.00 2.11 H new ATOM 0 HD21 LEU A 112 7.659 3.000 -4.394 1.00 73.41 H new ATOM 0 HD22 LEU A 112 6.496 1.691 -4.077 1.00 73.41 H new ATOM 0 HD23 LEU A 112 7.839 1.981 -2.946 1.00 73.41 H new ATOM 1806 N ALA A 113 7.366 -3.163 -3.190 1.00 74.01 N ATOM 1807 CA ALA A 113 7.629 -4.550 -2.817 1.00 54.53 C ATOM 1808 C ALA A 113 6.649 -5.508 -3.509 1.00 61.04 C ATOM 1809 O ALA A 113 7.060 -6.614 -3.851 1.00 73.15 O ATOM 1810 CB ALA A 113 7.603 -4.699 -1.293 1.00 11.23 C ATOM 0 H ALA A 113 7.147 -2.554 -2.402 1.00 74.01 H new ATOM 0 HA ALA A 113 8.626 -4.823 -3.162 1.00 54.53 H new ATOM 0 HB1 ALA A 113 7.800 -5.737 -1.025 1.00 11.23 H new ATOM 0 HB2 ALA A 113 8.367 -4.059 -0.852 1.00 11.23 H new ATOM 0 HB3 ALA A 113 6.623 -4.407 -0.916 1.00 11.23 H new ATOM 1816 N TYR A 114 5.411 -5.079 -3.773 1.00 42.15 N ATOM 1817 CA TYR A 114 4.401 -5.811 -4.524 1.00 72.34 C ATOM 1818 C TYR A 114 4.901 -6.004 -5.954 1.00 72.14 C ATOM 1819 O TYR A 114 5.167 -7.142 -6.340 1.00 25.44 O ATOM 1820 CB TYR A 114 3.047 -5.082 -4.418 1.00 63.30 C ATOM 1821 CG TYR A 114 1.897 -5.623 -5.253 1.00 73.14 C ATOM 1822 CD1 TYR A 114 1.159 -6.740 -4.818 1.00 62.43 C ATOM 1823 CD2 TYR A 114 1.521 -4.972 -6.445 1.00 2.23 C ATOM 1824 CE1 TYR A 114 0.039 -7.184 -5.546 1.00 72.00 C ATOM 1825 CE2 TYR A 114 0.409 -5.417 -7.183 1.00 14.22 C ATOM 1826 CZ TYR A 114 -0.347 -6.519 -6.733 1.00 4.22 C ATOM 1827 OH TYR A 114 -1.465 -6.895 -7.419 1.00 3.24 O ATOM 0 H TYR A 114 5.076 -4.171 -3.452 1.00 42.15 H new ATOM 0 HA TYR A 114 4.234 -6.806 -4.112 1.00 72.34 H new ATOM 0 HB2 TYR A 114 2.739 -5.093 -3.372 1.00 63.30 H new ATOM 0 HB3 TYR A 114 3.203 -4.039 -4.694 1.00 63.30 H new ATOM 0 HD1 TYR A 114 1.454 -7.260 -3.919 1.00 62.43 H new ATOM 0 HD2 TYR A 114 2.091 -4.124 -6.795 1.00 2.23 H new ATOM 0 HE1 TYR A 114 -0.527 -8.035 -5.197 1.00 72.00 H new ATOM 0 HE2 TYR A 114 0.133 -4.913 -8.097 1.00 14.22 H new ATOM 0 HH TYR A 114 -2.230 -6.922 -6.808 1.00 3.24 H new ATOM 1837 N ARG A 115 5.122 -4.928 -6.732 1.00 45.33 N ATOM 1838 CA ARG A 115 5.525 -5.112 -8.132 1.00 65.01 C ATOM 1839 C ARG A 115 6.860 -5.841 -8.271 1.00 35.32 C ATOM 1840 O ARG A 115 7.064 -6.548 -9.259 1.00 75.11 O ATOM 1841 CB ARG A 115 5.499 -3.794 -8.915 1.00 21.24 C ATOM 1842 CG ARG A 115 6.547 -2.785 -8.438 1.00 70.02 C ATOM 1843 CD ARG A 115 6.748 -1.652 -9.444 1.00 44.21 C ATOM 1844 NE ARG A 115 8.007 -0.937 -9.165 1.00 4.15 N ATOM 1845 CZ ARG A 115 9.259 -1.410 -9.303 1.00 20.43 C ATOM 1846 NH1 ARG A 115 9.491 -2.548 -9.947 1.00 63.33 N ATOM 1847 NH2 ARG A 115 10.257 -0.735 -8.751 1.00 75.34 N ATOM 0 H ARG A 115 5.032 -3.959 -6.428 1.00 45.33 H new ATOM 0 HA ARG A 115 4.777 -5.764 -8.584 1.00 65.01 H new ATOM 0 HB2 ARG A 115 5.662 -4.004 -9.972 1.00 21.24 H new ATOM 0 HB3 ARG A 115 4.509 -3.347 -8.828 1.00 21.24 H new ATOM 0 HG2 ARG A 115 6.239 -2.368 -7.479 1.00 70.02 H new ATOM 0 HG3 ARG A 115 7.495 -3.297 -8.274 1.00 70.02 H new ATOM 0 HD2 ARG A 115 6.767 -2.055 -10.457 1.00 44.21 H new ATOM 0 HD3 ARG A 115 5.909 -0.958 -9.393 1.00 44.21 H new ATOM 0 HE ARG A 115 7.919 0.022 -8.830 1.00 4.15 H new ATOM 0 HH11 ARG A 115 8.714 -3.076 -10.345 1.00 63.33 H new ATOM 0 HH12 ARG A 115 10.446 -2.894 -10.044 1.00 63.33 H new ATOM 0 HH21 ARG A 115 10.068 0.124 -8.235 1.00 75.34 H new ATOM 0 HH22 ARG A 115 11.214 -1.075 -8.843 1.00 75.34 H new ATOM 1861 N ARG A 116 7.760 -5.720 -7.289 1.00 54.52 N ATOM 1862 CA ARG A 116 8.955 -6.537 -7.216 1.00 72.24 C ATOM 1863 C ARG A 116 8.543 -7.992 -7.071 1.00 34.02 C ATOM 1864 O ARG A 116 8.847 -8.807 -7.937 1.00 22.30 O ATOM 1865 CB ARG A 116 9.849 -6.071 -6.057 1.00 24.03 C ATOM 1866 CG ARG A 116 10.613 -4.773 -6.362 1.00 33.33 C ATOM 1867 CD ARG A 116 11.677 -5.011 -7.443 1.00 20.13 C ATOM 1868 NE ARG A 116 12.659 -3.915 -7.517 1.00 33.32 N ATOM 1869 CZ ARG A 116 13.967 -4.056 -7.758 1.00 10.15 C ATOM 1870 NH1 ARG A 116 14.518 -5.226 -8.069 1.00 51.33 N ATOM 1871 NH2 ARG A 116 14.749 -2.997 -7.677 1.00 73.42 N ATOM 0 H ARG A 116 7.671 -5.049 -6.526 1.00 54.52 H new ATOM 0 HA ARG A 116 9.541 -6.433 -8.129 1.00 72.24 H new ATOM 0 HB2 ARG A 116 9.233 -5.922 -5.170 1.00 24.03 H new ATOM 0 HB3 ARG A 116 10.565 -6.858 -5.820 1.00 24.03 H new ATOM 0 HG2 ARG A 116 9.916 -4.004 -6.694 1.00 33.33 H new ATOM 0 HG3 ARG A 116 11.087 -4.402 -5.453 1.00 33.33 H new ATOM 0 HD2 ARG A 116 12.196 -5.947 -7.238 1.00 20.13 H new ATOM 0 HD3 ARG A 116 11.189 -5.123 -8.411 1.00 20.13 H new ATOM 0 HE ARG A 116 12.311 -2.967 -7.372 1.00 33.32 H new ATOM 0 HH11 ARG A 116 13.938 -6.062 -8.132 1.00 51.33 H new ATOM 0 HH12 ARG A 116 15.521 -5.287 -8.245 1.00 51.33 H new ATOM 0 HH21 ARG A 116 14.354 -2.089 -7.434 1.00 73.42 H new ATOM 0 HH22 ARG A 116 15.749 -3.086 -7.858 1.00 73.42 H new ATOM 1885 N SER A 117 7.860 -8.324 -5.990 1.00 63.44 N ATOM 1886 CA SER A 117 7.579 -9.699 -5.622 1.00 61.51 C ATOM 1887 C SER A 117 6.726 -10.452 -6.651 1.00 12.34 C ATOM 1888 O SER A 117 6.771 -11.680 -6.664 1.00 22.24 O ATOM 1889 CB SER A 117 6.907 -9.723 -4.250 1.00 0.14 C ATOM 1890 OG SER A 117 7.712 -9.093 -3.267 1.00 51.12 O ATOM 0 H SER A 117 7.481 -7.639 -5.336 1.00 63.44 H new ATOM 0 HA SER A 117 8.534 -10.224 -5.591 1.00 61.51 H new ATOM 0 HB2 SER A 117 5.941 -9.221 -4.308 1.00 0.14 H new ATOM 0 HB3 SER A 117 6.713 -10.755 -3.957 1.00 0.14 H new ATOM 0 HG SER A 117 7.442 -8.156 -3.175 1.00 51.12 H new ATOM 1896 N GLN A 118 5.967 -9.755 -7.501 1.00 14.50 N ATOM 1897 CA GLN A 118 5.057 -10.371 -8.462 1.00 72.15 C ATOM 1898 C GLN A 118 5.778 -11.117 -9.592 1.00 65.34 C ATOM 1899 O GLN A 118 5.157 -11.934 -10.266 1.00 15.52 O ATOM 1900 CB GLN A 118 4.161 -9.281 -9.066 1.00 75.12 C ATOM 1901 CG GLN A 118 2.981 -8.908 -8.163 1.00 43.43 C ATOM 1902 CD GLN A 118 2.194 -7.779 -8.807 1.00 13.53 C ATOM 1903 OE1 GLN A 118 2.670 -6.653 -8.907 1.00 22.21 O ATOM 1904 NE2 GLN A 118 1.007 -8.041 -9.320 1.00 4.10 N ATOM 0 H GLN A 118 5.969 -8.736 -7.539 1.00 14.50 H new ATOM 0 HA GLN A 118 4.471 -11.113 -7.920 1.00 72.15 H new ATOM 0 HB2 GLN A 118 4.760 -8.391 -9.258 1.00 75.12 H new ATOM 0 HB3 GLN A 118 3.781 -9.623 -10.029 1.00 75.12 H new ATOM 0 HG2 GLN A 118 2.337 -9.774 -8.010 1.00 43.43 H new ATOM 0 HG3 GLN A 118 3.342 -8.601 -7.181 1.00 43.43 H new ATOM 0 HE21 GLN A 118 0.611 -8.977 -9.237 1.00 4.10 H new ATOM 0 HE22 GLN A 118 0.485 -7.307 -9.800 1.00 4.10 H new ATOM 1913 N GLN A 119 7.070 -10.870 -9.812 1.00 51.01 N ATOM 1914 CA GLN A 119 7.828 -11.462 -10.918 1.00 71.25 C ATOM 1915 C GLN A 119 8.640 -12.679 -10.453 1.00 42.55 C ATOM 1916 O GLN A 119 9.743 -12.919 -10.947 1.00 13.24 O ATOM 1917 CB GLN A 119 8.690 -10.367 -11.556 1.00 34.43 C ATOM 1918 CG GLN A 119 9.933 -9.992 -10.731 1.00 11.13 C ATOM 1919 CD GLN A 119 10.323 -8.530 -10.884 1.00 3.53 C ATOM 1920 OE1 GLN A 119 11.386 -8.229 -11.405 1.00 44.41 O ATOM 1921 NE2 GLN A 119 9.514 -7.595 -10.400 1.00 5.24 N ATOM 0 H GLN A 119 7.625 -10.249 -9.224 1.00 51.01 H new ATOM 0 HA GLN A 119 7.148 -11.848 -11.678 1.00 71.25 H new ATOM 0 HB2 GLN A 119 9.009 -10.699 -12.544 1.00 34.43 H new ATOM 0 HB3 GLN A 119 8.079 -9.476 -11.700 1.00 34.43 H new ATOM 0 HG2 GLN A 119 9.743 -10.204 -9.679 1.00 11.13 H new ATOM 0 HG3 GLN A 119 10.770 -10.620 -11.037 1.00 11.13 H new ATOM 0 HE21 GLN A 119 8.629 -7.860 -9.967 1.00 5.24 H new ATOM 0 HE22 GLN A 119 9.777 -6.611 -10.461 1.00 5.24 H new ATOM 1930 N ASP A 120 8.124 -13.370 -9.442 1.00 63.43 N ATOM 1931 CA ASP A 120 8.837 -14.237 -8.507 1.00 43.43 C ATOM 1932 C ASP A 120 9.780 -15.214 -9.195 1.00 53.10 C ATOM 1933 O ASP A 120 10.935 -15.304 -8.719 1.00 60.53 O ATOM 1934 CB ASP A 120 7.850 -14.930 -7.545 1.00 3.25 C ATOM 1935 CG ASP A 120 7.605 -16.418 -7.834 1.00 22.43 C ATOM 1936 OD1 ASP A 120 8.467 -17.248 -7.483 1.00 31.13 O ATOM 1937 OD2 ASP A 120 6.476 -16.780 -8.268 1.00 43.32 O ATOM 0 H ASP A 120 7.125 -13.337 -9.239 1.00 63.43 H new ATOM 0 HA ASP A 120 9.488 -13.600 -7.908 1.00 43.43 H new ATOM 0 HB2 ASP A 120 8.226 -14.829 -6.527 1.00 3.25 H new ATOM 0 HB3 ASP A 120 6.896 -14.405 -7.586 1.00 3.25 H new TER 1942 ASP A 120