USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 914 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 107 SER OG : rot 130:sc= -0.131 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.132 K(o=-0.26,f=0.49) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 157:sc= 1.44 (180deg=-1.75!) USER MOD Set 2.2: A 39 TYR OH : rot 130:sc= 0.701 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00324) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00225 USER MOD Single : A 7 HIS : no HE2:sc= -0.182 K(o=-0.18,f=-1.3) USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.529 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.551 K(o=-0.55,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.24! K(o=-3.2!,f=-0.86) USER MOD Single : A 27 GLN : amide:sc= -0.0601 X(o=-0.06,f=-0.036) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc=-0.00394 (180deg=-0.0854) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc=-0.00875 USER MOD Single : A 37 THR OG1 : rot -147:sc= 0.804 USER MOD Single : A 38 SER OG : rot 180:sc= -0.235 USER MOD Single : A 49 GLN : amide:sc= -0.965 K(o=-0.96,f=-0.0071) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 1.3 (180deg=0.869) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= 0.876 (180deg=0.637) USER MOD Single : A 59 HIS : no HE2:sc= -0.202 K(o=-0.2,f=-1.1) USER MOD Single : A 68 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 71 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -0.829 X(o=-0.83,f=-1) USER MOD Single : A 74 THR OG1 : rot 69:sc= 0.976 USER MOD Single : A 78 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.68) USER MOD Single : A 81 GLN : amide:sc= -0.0645 X(o=-0.064,f=-0.15) USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= 1.75 (180deg=0.99) USER MOD Single : A 85 ASN : amide:sc= -1.15 X(o=-1.2,f=-0.72) USER MOD Single : A 86 GLN : amide:sc= -0.688 X(o=-0.69,f=-0.56) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -145:sc= -0.296 (180deg=-1.9) USER MOD Single : A 96 GLN : amide:sc= -0.213! X(o=-0.21!,f=-0.57) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.57) USER MOD Single : A 112 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-0.3) USER MOD Single : A 113 HIS : no HD1:sc= -0.475 X(o=-0.48,f=-0.48) USER MOD Single : A 114 HIS : no HD1:sc= -0.264 K(o=-0.26,f=-1.1) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.736 -26.419 4.362 1.00 14.42 N ATOM 2 CA MET A 1 -0.625 -25.978 3.946 1.00 21.40 C ATOM 3 C MET A 1 -1.131 -26.770 2.734 1.00 32.34 C ATOM 4 O MET A 1 -0.660 -26.582 1.612 1.00 12.55 O ATOM 5 CB MET A 1 -0.634 -24.475 3.624 1.00 35.31 C ATOM 6 CG MET A 1 -0.470 -23.580 4.848 1.00 22.21 C ATOM 7 SD MET A 1 -1.788 -23.825 6.059 1.00 43.53 S ATOM 8 CE MET A 1 -1.388 -22.562 7.267 1.00 41.25 C ATOM 0 H1 MET A 1 1.031 -25.885 5.204 1.00 14.42 H new ATOM 0 H2 MET A 1 0.719 -27.435 4.584 1.00 14.42 H new ATOM 0 H3 MET A 1 1.409 -26.245 3.588 1.00 14.42 H new ATOM 0 HA MET A 1 -1.296 -26.170 4.783 1.00 21.40 H new ATOM 0 HB2 MET A 1 0.168 -24.260 2.918 1.00 35.31 H new ATOM 0 HB3 MET A 1 -1.571 -24.226 3.127 1.00 35.31 H new ATOM 0 HG2 MET A 1 0.493 -23.782 5.317 1.00 22.21 H new ATOM 0 HG3 MET A 1 -0.458 -22.536 4.533 1.00 22.21 H new ATOM 0 HE1 MET A 1 -2.116 -22.590 8.078 1.00 41.25 H new ATOM 0 HE2 MET A 1 -0.391 -22.745 7.668 1.00 41.25 H new ATOM 0 HE3 MET A 1 -1.413 -21.582 6.791 1.00 41.25 H new ATOM 20 N ALA A 2 -2.092 -27.662 2.966 1.00 32.44 N ATOM 21 CA ALA A 2 -2.705 -28.442 1.886 1.00 5.35 C ATOM 22 C ALA A 2 -3.984 -27.764 1.371 1.00 71.52 C ATOM 23 O ALA A 2 -5.060 -27.922 1.949 1.00 11.11 O ATOM 24 CB ALA A 2 -3.011 -29.859 2.363 1.00 73.24 C ATOM 0 H ALA A 2 -2.465 -27.865 3.893 1.00 32.44 H new ATOM 0 HA ALA A 2 -1.994 -28.494 1.061 1.00 5.35 H new ATOM 0 HB1 ALA A 2 -3.466 -30.426 1.551 1.00 73.24 H new ATOM 0 HB2 ALA A 2 -2.086 -30.346 2.673 1.00 73.24 H new ATOM 0 HB3 ALA A 2 -3.700 -29.818 3.207 1.00 73.24 H new ATOM 30 N ALA A 3 -3.860 -26.995 0.294 1.00 23.55 N ATOM 31 CA ALA A 3 -5.005 -26.280 -0.281 1.00 15.11 C ATOM 32 C ALA A 3 -4.869 -26.141 -1.801 1.00 3.24 C ATOM 33 O ALA A 3 -3.769 -25.948 -2.322 1.00 63.41 O ATOM 34 CB ALA A 3 -5.146 -24.906 0.368 1.00 23.32 C ATOM 0 H ALA A 3 -2.981 -26.848 -0.201 1.00 23.55 H new ATOM 0 HA ALA A 3 -5.904 -26.863 -0.079 1.00 15.11 H new ATOM 0 HB1 ALA A 3 -5.999 -24.384 -0.066 1.00 23.32 H new ATOM 0 HB2 ALA A 3 -5.301 -25.024 1.440 1.00 23.32 H new ATOM 0 HB3 ALA A 3 -4.239 -24.327 0.194 1.00 23.32 H new ATOM 40 N SER A 4 -5.989 -26.239 -2.511 1.00 0.00 N ATOM 41 CA SER A 4 -5.988 -26.111 -3.973 1.00 14.24 C ATOM 42 C SER A 4 -5.841 -24.643 -4.396 1.00 74.44 C ATOM 43 O SER A 4 -6.807 -23.994 -4.795 1.00 41.41 O ATOM 44 CB SER A 4 -7.270 -26.712 -4.567 1.00 3.33 C ATOM 45 OG SER A 4 -7.408 -28.083 -4.208 1.00 71.45 O ATOM 0 H SER A 4 -6.909 -26.406 -2.103 1.00 0.00 H new ATOM 0 HA SER A 4 -5.132 -26.664 -4.359 1.00 14.24 H new ATOM 0 HB2 SER A 4 -8.136 -26.152 -4.214 1.00 3.33 H new ATOM 0 HB3 SER A 4 -7.250 -26.617 -5.653 1.00 3.33 H new ATOM 0 HG SER A 4 -8.233 -28.442 -4.597 1.00 71.45 H new ATOM 51 N THR A 5 -4.628 -24.116 -4.266 1.00 64.54 N ATOM 52 CA THR A 5 -4.333 -22.722 -4.620 1.00 31.10 C ATOM 53 C THR A 5 -2.866 -22.564 -5.043 1.00 72.52 C ATOM 54 O THR A 5 -1.973 -23.167 -4.449 1.00 22.13 O ATOM 55 CB THR A 5 -4.618 -21.758 -3.432 1.00 51.01 C ATOM 56 OG1 THR A 5 -5.971 -21.911 -2.969 1.00 61.50 O ATOM 57 CG2 THR A 5 -4.387 -20.302 -3.828 1.00 44.25 C ATOM 0 H THR A 5 -3.823 -24.635 -3.915 1.00 64.54 H new ATOM 0 HA THR A 5 -4.986 -22.462 -5.453 1.00 31.10 H new ATOM 0 HB THR A 5 -3.926 -22.018 -2.632 1.00 51.01 H new ATOM 0 HG1 THR A 5 -6.132 -21.299 -2.221 1.00 61.50 H new ATOM 0 HG21 THR A 5 -4.595 -19.656 -2.975 1.00 44.25 H new ATOM 0 HG22 THR A 5 -3.351 -20.170 -4.139 1.00 44.25 H new ATOM 0 HG23 THR A 5 -5.050 -20.040 -4.652 1.00 44.25 H new ATOM 65 N VAL A 6 -2.621 -21.758 -6.074 1.00 11.14 N ATOM 66 CA VAL A 6 -1.256 -21.512 -6.549 1.00 25.41 C ATOM 67 C VAL A 6 -0.510 -20.537 -5.620 1.00 11.52 C ATOM 68 O VAL A 6 -1.014 -19.460 -5.293 1.00 70.24 O ATOM 69 CB VAL A 6 -1.250 -20.973 -8.004 1.00 42.15 C ATOM 70 CG1 VAL A 6 -2.074 -19.690 -8.128 1.00 42.21 C ATOM 71 CG2 VAL A 6 0.182 -20.756 -8.496 1.00 31.32 C ATOM 0 H VAL A 6 -3.345 -21.265 -6.596 1.00 11.14 H new ATOM 0 HA VAL A 6 -0.735 -22.469 -6.537 1.00 25.41 H new ATOM 0 HB VAL A 6 -1.718 -21.725 -8.639 1.00 42.15 H new ATOM 0 HG11 VAL A 6 -2.049 -19.340 -9.160 1.00 42.21 H new ATOM 0 HG12 VAL A 6 -3.105 -19.891 -7.838 1.00 42.21 H new ATOM 0 HG13 VAL A 6 -1.656 -18.924 -7.474 1.00 42.21 H new ATOM 0 HG21 VAL A 6 0.162 -20.378 -9.518 1.00 31.32 H new ATOM 0 HG22 VAL A 6 0.683 -20.033 -7.851 1.00 31.32 H new ATOM 0 HG23 VAL A 6 0.723 -21.702 -8.469 1.00 31.32 H new ATOM 81 N HIS A 7 0.687 -20.929 -5.193 1.00 22.34 N ATOM 82 CA HIS A 7 1.501 -20.116 -4.285 1.00 24.24 C ATOM 83 C HIS A 7 1.872 -18.763 -4.919 1.00 3.54 C ATOM 84 O HIS A 7 2.917 -18.624 -5.556 1.00 53.10 O ATOM 85 CB HIS A 7 2.766 -20.890 -3.883 1.00 30.32 C ATOM 86 CG HIS A 7 3.700 -20.126 -2.992 1.00 62.51 C ATOM 87 ND1 HIS A 7 4.658 -19.265 -3.475 1.00 13.03 N ATOM 88 CD2 HIS A 7 3.827 -20.103 -1.643 1.00 52.11 C ATOM 89 CE1 HIS A 7 5.337 -18.751 -2.472 1.00 65.34 C ATOM 90 NE2 HIS A 7 4.852 -19.241 -1.350 1.00 72.33 N ATOM 0 H HIS A 7 1.121 -21.812 -5.462 1.00 22.34 H new ATOM 0 HA HIS A 7 0.911 -19.908 -3.392 1.00 24.24 H new ATOM 0 HB2 HIS A 7 2.470 -21.809 -3.377 1.00 30.32 H new ATOM 0 HB3 HIS A 7 3.302 -21.182 -4.786 1.00 30.32 H new ATOM 0 HD1 HIS A 7 4.818 -19.057 -4.461 1.00 13.03 H new ATOM 0 HD2 HIS A 7 3.233 -20.659 -0.933 1.00 52.11 H new ATOM 0 HE1 HIS A 7 6.152 -18.048 -2.555 1.00 65.34 H new ATOM 99 N THR A 8 0.997 -17.778 -4.747 1.00 31.23 N ATOM 100 CA THR A 8 1.205 -16.441 -5.312 1.00 4.55 C ATOM 101 C THR A 8 1.497 -15.415 -4.210 1.00 30.20 C ATOM 102 O THR A 8 0.614 -15.061 -3.432 1.00 50.21 O ATOM 103 CB THR A 8 -0.036 -15.975 -6.117 1.00 53.52 C ATOM 104 OG1 THR A 8 -0.426 -16.993 -7.050 1.00 44.23 O ATOM 105 CG2 THR A 8 0.245 -14.678 -6.873 1.00 64.25 C ATOM 0 H THR A 8 0.130 -17.877 -4.218 1.00 31.23 H new ATOM 0 HA THR A 8 2.064 -16.507 -5.980 1.00 4.55 H new ATOM 0 HB THR A 8 -0.843 -15.793 -5.408 1.00 53.52 H new ATOM 0 HG1 THR A 8 -0.980 -16.596 -7.754 1.00 44.23 H new ATOM 0 HG21 THR A 8 -0.645 -14.379 -7.427 1.00 64.25 H new ATOM 0 HG22 THR A 8 0.511 -13.894 -6.164 1.00 64.25 H new ATOM 0 HG23 THR A 8 1.070 -14.834 -7.569 1.00 64.25 H new ATOM 113 N SER A 9 2.741 -14.956 -4.136 1.00 41.42 N ATOM 114 CA SER A 9 3.131 -13.930 -3.161 1.00 21.35 C ATOM 115 C SER A 9 2.622 -12.548 -3.595 1.00 13.01 C ATOM 116 O SER A 9 2.324 -12.328 -4.769 1.00 70.41 O ATOM 117 CB SER A 9 4.657 -13.900 -3.002 1.00 3.01 C ATOM 118 OG SER A 9 5.164 -15.160 -2.580 1.00 42.42 O ATOM 0 H SER A 9 3.501 -15.275 -4.737 1.00 41.42 H new ATOM 0 HA SER A 9 2.679 -14.181 -2.202 1.00 21.35 H new ATOM 0 HB2 SER A 9 5.117 -13.621 -3.950 1.00 3.01 H new ATOM 0 HB3 SER A 9 4.933 -13.135 -2.277 1.00 3.01 H new ATOM 0 HG SER A 9 6.138 -15.107 -2.490 1.00 42.42 H new ATOM 124 N PHE A 10 2.533 -11.610 -2.655 1.00 14.33 N ATOM 125 CA PHE A 10 1.973 -10.283 -2.945 1.00 12.54 C ATOM 126 C PHE A 10 2.907 -9.155 -2.478 1.00 61.11 C ATOM 127 O PHE A 10 3.316 -9.108 -1.315 1.00 54.14 O ATOM 128 CB PHE A 10 0.589 -10.139 -2.293 1.00 2.02 C ATOM 129 CG PHE A 10 -0.420 -11.136 -2.810 1.00 1.32 C ATOM 130 CD1 PHE A 10 -1.052 -10.934 -4.028 1.00 11.22 C ATOM 131 CD2 PHE A 10 -0.731 -12.279 -2.083 1.00 50.23 C ATOM 132 CE1 PHE A 10 -1.971 -11.848 -4.511 1.00 20.31 C ATOM 133 CE2 PHE A 10 -1.649 -13.194 -2.561 1.00 4.40 C ATOM 134 CZ PHE A 10 -2.269 -12.979 -3.776 1.00 53.21 C ATOM 0 H PHE A 10 2.838 -11.738 -1.690 1.00 14.33 H new ATOM 0 HA PHE A 10 1.870 -10.195 -4.027 1.00 12.54 H new ATOM 0 HB2 PHE A 10 0.689 -10.259 -1.214 1.00 2.02 H new ATOM 0 HB3 PHE A 10 0.215 -9.130 -2.468 1.00 2.02 H new ATOM 0 HD1 PHE A 10 -0.824 -10.051 -4.607 1.00 11.22 H new ATOM 0 HD2 PHE A 10 -0.249 -12.454 -1.133 1.00 50.23 H new ATOM 0 HE1 PHE A 10 -2.455 -11.678 -5.461 1.00 20.31 H new ATOM 0 HE2 PHE A 10 -1.882 -14.077 -1.985 1.00 4.40 H new ATOM 0 HZ PHE A 10 -2.986 -13.694 -4.151 1.00 53.21 H new ATOM 144 N ILE A 11 3.231 -8.249 -3.401 1.00 50.20 N ATOM 145 CA ILE A 11 4.135 -7.126 -3.125 1.00 35.21 C ATOM 146 C ILE A 11 3.352 -5.813 -2.994 1.00 11.30 C ATOM 147 O ILE A 11 2.424 -5.559 -3.762 1.00 22.44 O ATOM 148 CB ILE A 11 5.183 -6.958 -4.259 1.00 33.42 C ATOM 149 CG1 ILE A 11 5.922 -8.283 -4.511 1.00 65.34 C ATOM 150 CG2 ILE A 11 6.171 -5.833 -3.929 1.00 11.33 C ATOM 151 CD1 ILE A 11 7.006 -8.191 -5.568 1.00 61.21 C ATOM 0 H ILE A 11 2.877 -8.270 -4.358 1.00 50.20 H new ATOM 0 HA ILE A 11 4.643 -7.350 -2.187 1.00 35.21 H new ATOM 0 HB ILE A 11 4.657 -6.682 -5.173 1.00 33.42 H new ATOM 0 HG12 ILE A 11 6.368 -8.622 -3.576 1.00 65.34 H new ATOM 0 HG13 ILE A 11 5.198 -9.040 -4.812 1.00 65.34 H new ATOM 0 HG21 ILE A 11 6.895 -5.735 -4.738 1.00 11.33 H new ATOM 0 HG22 ILE A 11 5.628 -4.895 -3.812 1.00 11.33 H new ATOM 0 HG23 ILE A 11 6.693 -6.068 -3.002 1.00 11.33 H new ATOM 0 HD11 ILE A 11 7.481 -9.165 -5.688 1.00 61.21 H new ATOM 0 HD12 ILE A 11 6.565 -7.883 -6.516 1.00 61.21 H new ATOM 0 HD13 ILE A 11 7.753 -7.459 -5.261 1.00 61.21 H new ATOM 163 N LEU A 12 3.727 -4.980 -2.027 1.00 74.53 N ATOM 164 CA LEU A 12 3.095 -3.668 -1.849 1.00 55.23 C ATOM 165 C LEU A 12 3.958 -2.549 -2.457 1.00 24.24 C ATOM 166 O LEU A 12 5.109 -2.349 -2.056 1.00 32.10 O ATOM 167 CB LEU A 12 2.858 -3.384 -0.358 1.00 63.34 C ATOM 168 CG LEU A 12 2.185 -2.031 -0.046 1.00 14.54 C ATOM 169 CD1 LEU A 12 0.771 -1.973 -0.622 1.00 1.42 C ATOM 170 CD2 LEU A 12 2.164 -1.771 1.460 1.00 52.24 C ATOM 0 H LEU A 12 4.464 -5.186 -1.353 1.00 74.53 H new ATOM 0 HA LEU A 12 2.137 -3.689 -2.368 1.00 55.23 H new ATOM 0 HB2 LEU A 12 2.241 -4.182 0.054 1.00 63.34 H new ATOM 0 HB3 LEU A 12 3.816 -3.423 0.160 1.00 63.34 H new ATOM 0 HG LEU A 12 2.774 -1.247 -0.522 1.00 14.54 H new ATOM 0 HD11 LEU A 12 0.322 -1.008 -0.387 1.00 1.42 H new ATOM 0 HD12 LEU A 12 0.813 -2.099 -1.704 1.00 1.42 H new ATOM 0 HD13 LEU A 12 0.168 -2.770 -0.187 1.00 1.42 H new ATOM 0 HD21 LEU A 12 1.685 -0.812 1.657 1.00 52.24 H new ATOM 0 HD22 LEU A 12 1.607 -2.564 1.958 1.00 52.24 H new ATOM 0 HD23 LEU A 12 3.185 -1.751 1.840 1.00 52.24 H new ATOM 182 N LYS A 13 3.405 -1.827 -3.428 1.00 45.32 N ATOM 183 CA LYS A 13 4.087 -0.665 -4.010 1.00 24.45 C ATOM 184 C LYS A 13 3.348 0.635 -3.663 1.00 4.13 C ATOM 185 O LYS A 13 2.127 0.728 -3.805 1.00 73.43 O ATOM 186 CB LYS A 13 4.213 -0.791 -5.535 1.00 70.41 C ATOM 187 CG LYS A 13 4.874 -2.089 -6.001 1.00 24.14 C ATOM 188 CD LYS A 13 5.504 -1.954 -7.390 1.00 45.01 C ATOM 189 CE LYS A 13 4.578 -1.267 -8.395 1.00 31.10 C ATOM 190 NZ LYS A 13 3.309 -2.011 -8.608 1.00 31.24 N ATOM 0 H LYS A 13 2.488 -2.022 -3.831 1.00 45.32 H new ATOM 0 HA LYS A 13 5.088 -0.634 -3.580 1.00 24.45 H new ATOM 0 HB2 LYS A 13 3.219 -0.722 -5.978 1.00 70.41 H new ATOM 0 HB3 LYS A 13 4.789 0.054 -5.912 1.00 70.41 H new ATOM 0 HG2 LYS A 13 5.641 -2.382 -5.284 1.00 24.14 H new ATOM 0 HG3 LYS A 13 4.131 -2.887 -6.017 1.00 24.14 H new ATOM 0 HD2 LYS A 13 6.431 -1.387 -7.310 1.00 45.01 H new ATOM 0 HD3 LYS A 13 5.767 -2.944 -7.763 1.00 45.01 H new ATOM 0 HE2 LYS A 13 4.350 -0.261 -8.043 1.00 31.10 H new ATOM 0 HE3 LYS A 13 5.097 -1.162 -9.348 1.00 31.10 H new ATOM 0 HZ1 LYS A 13 2.580 -1.359 -8.961 1.00 31.24 H new ATOM 0 HZ2 LYS A 13 3.463 -2.768 -9.304 1.00 31.24 H new ATOM 0 HZ3 LYS A 13 2.995 -2.427 -7.708 1.00 31.24 H new ATOM 204 N VAL A 14 4.097 1.636 -3.216 1.00 73.21 N ATOM 205 CA VAL A 14 3.525 2.930 -2.839 1.00 75.21 C ATOM 206 C VAL A 14 4.065 4.059 -3.732 1.00 4.31 C ATOM 207 O VAL A 14 5.259 4.371 -3.716 1.00 75.52 O ATOM 208 CB VAL A 14 3.820 3.258 -1.352 1.00 40.21 C ATOM 209 CG1 VAL A 14 3.255 4.624 -0.967 1.00 43.34 C ATOM 210 CG2 VAL A 14 3.264 2.166 -0.439 1.00 13.51 C ATOM 0 H VAL A 14 5.109 1.579 -3.104 1.00 73.21 H new ATOM 0 HA VAL A 14 2.446 2.858 -2.978 1.00 75.21 H new ATOM 0 HB VAL A 14 4.902 3.295 -1.224 1.00 40.21 H new ATOM 0 HG11 VAL A 14 3.477 4.827 0.081 1.00 43.34 H new ATOM 0 HG12 VAL A 14 3.709 5.394 -1.590 1.00 43.34 H new ATOM 0 HG13 VAL A 14 2.175 4.626 -1.116 1.00 43.34 H new ATOM 0 HG21 VAL A 14 3.481 2.415 0.600 1.00 13.51 H new ATOM 0 HG22 VAL A 14 2.185 2.091 -0.576 1.00 13.51 H new ATOM 0 HG23 VAL A 14 3.728 1.212 -0.688 1.00 13.51 H new ATOM 220 N LEU A 15 3.178 4.665 -4.516 1.00 1.21 N ATOM 221 CA LEU A 15 3.544 5.784 -5.388 1.00 63.32 C ATOM 222 C LEU A 15 3.476 7.100 -4.590 1.00 51.02 C ATOM 223 O LEU A 15 2.395 7.648 -4.363 1.00 35.22 O ATOM 224 CB LEU A 15 2.600 5.824 -6.608 1.00 65.50 C ATOM 225 CG LEU A 15 3.159 6.488 -7.888 1.00 60.52 C ATOM 226 CD1 LEU A 15 2.150 6.383 -9.029 1.00 34.22 C ATOM 227 CD2 LEU A 15 3.539 7.948 -7.644 1.00 61.24 C ATOM 0 H LEU A 15 2.194 4.400 -4.567 1.00 1.21 H new ATOM 0 HA LEU A 15 4.563 5.653 -5.751 1.00 63.32 H new ATOM 0 HB2 LEU A 15 2.313 4.801 -6.851 1.00 65.50 H new ATOM 0 HB3 LEU A 15 1.690 6.351 -6.319 1.00 65.50 H new ATOM 0 HG LEU A 15 4.066 5.952 -8.169 1.00 60.52 H new ATOM 0 HD11 LEU A 15 2.560 6.855 -9.922 1.00 34.22 H new ATOM 0 HD12 LEU A 15 1.943 5.333 -9.236 1.00 34.22 H new ATOM 0 HD13 LEU A 15 1.226 6.886 -8.745 1.00 34.22 H new ATOM 0 HD21 LEU A 15 3.928 8.382 -8.565 1.00 61.24 H new ATOM 0 HD22 LEU A 15 2.658 8.505 -7.324 1.00 61.24 H new ATOM 0 HD23 LEU A 15 4.303 8.000 -6.868 1.00 61.24 H new ATOM 239 N TRP A 16 4.633 7.586 -4.148 1.00 12.22 N ATOM 240 CA TRP A 16 4.703 8.778 -3.295 1.00 22.52 C ATOM 241 C TRP A 16 4.659 10.072 -4.133 1.00 72.43 C ATOM 242 O TRP A 16 5.559 10.340 -4.931 1.00 63.43 O ATOM 243 CB TRP A 16 5.990 8.726 -2.450 1.00 70.12 C ATOM 244 CG TRP A 16 5.962 9.612 -1.238 1.00 44.12 C ATOM 245 CD1 TRP A 16 6.144 10.964 -1.199 1.00 11.44 C ATOM 246 CD2 TRP A 16 5.755 9.195 0.118 1.00 11.34 C ATOM 247 NE1 TRP A 16 6.054 11.414 0.096 1.00 51.43 N ATOM 248 CE2 TRP A 16 5.817 10.347 0.923 1.00 65.01 C ATOM 249 CE3 TRP A 16 5.519 7.957 0.729 1.00 35.14 C ATOM 250 CZ2 TRP A 16 5.656 10.300 2.305 1.00 23.54 C ATOM 251 CZ3 TRP A 16 5.358 7.912 2.103 1.00 71.32 C ATOM 252 CH2 TRP A 16 5.426 9.077 2.876 1.00 14.15 C ATOM 0 H TRP A 16 5.540 7.174 -4.365 1.00 12.22 H new ATOM 0 HA TRP A 16 3.835 8.786 -2.636 1.00 22.52 H new ATOM 0 HB2 TRP A 16 6.162 7.698 -2.132 1.00 70.12 H new ATOM 0 HB3 TRP A 16 6.835 9.011 -3.076 1.00 70.12 H new ATOM 0 HD1 TRP A 16 6.331 11.589 -2.060 1.00 11.44 H new ATOM 0 HE1 TRP A 16 6.148 12.385 0.394 1.00 51.43 H new ATOM 0 HE3 TRP A 16 5.464 7.054 0.139 1.00 35.14 H new ATOM 0 HZ2 TRP A 16 5.711 11.196 2.905 1.00 23.54 H new ATOM 0 HZ3 TRP A 16 5.177 6.963 2.586 1.00 71.32 H new ATOM 0 HH2 TRP A 16 5.294 9.010 3.946 1.00 14.15 H new ATOM 263 N LEU A 17 3.605 10.867 -3.952 1.00 43.40 N ATOM 264 CA LEU A 17 3.444 12.123 -4.695 1.00 74.15 C ATOM 265 C LEU A 17 3.913 13.331 -3.864 1.00 11.22 C ATOM 266 O LEU A 17 4.431 13.176 -2.759 1.00 11.31 O ATOM 267 CB LEU A 17 1.976 12.308 -5.110 1.00 73.33 C ATOM 268 CG LEU A 17 1.419 11.238 -6.067 1.00 61.23 C ATOM 269 CD1 LEU A 17 -0.067 11.471 -6.333 1.00 70.31 C ATOM 270 CD2 LEU A 17 2.208 11.227 -7.376 1.00 1.04 C ATOM 0 H LEU A 17 2.848 10.666 -3.298 1.00 43.40 H new ATOM 0 HA LEU A 17 4.067 12.066 -5.588 1.00 74.15 H new ATOM 0 HB2 LEU A 17 1.361 12.322 -4.210 1.00 73.33 H new ATOM 0 HB3 LEU A 17 1.870 13.284 -5.583 1.00 73.33 H new ATOM 0 HG LEU A 17 1.529 10.263 -5.592 1.00 61.23 H new ATOM 0 HD11 LEU A 17 -0.440 10.704 -7.011 1.00 70.31 H new ATOM 0 HD12 LEU A 17 -0.617 11.423 -5.393 1.00 70.31 H new ATOM 0 HD13 LEU A 17 -0.206 12.453 -6.785 1.00 70.31 H new ATOM 0 HD21 LEU A 17 1.800 10.465 -8.040 1.00 1.04 H new ATOM 0 HD22 LEU A 17 2.132 12.203 -7.855 1.00 1.04 H new ATOM 0 HD23 LEU A 17 3.255 11.005 -7.168 1.00 1.04 H new ATOM 282 N ASP A 18 3.721 14.531 -4.409 1.00 13.43 N ATOM 283 CA ASP A 18 4.149 15.772 -3.755 1.00 23.21 C ATOM 284 C ASP A 18 3.480 15.953 -2.381 1.00 23.01 C ATOM 285 O ASP A 18 4.128 15.837 -1.338 1.00 0.43 O ATOM 286 CB ASP A 18 3.817 16.959 -4.661 1.00 45.32 C ATOM 287 CG ASP A 18 4.372 16.780 -6.062 1.00 61.23 C ATOM 288 OD1 ASP A 18 3.817 15.957 -6.822 1.00 42.40 O ATOM 289 OD2 ASP A 18 5.368 17.447 -6.405 1.00 63.13 O ATOM 0 H ASP A 18 3.267 14.673 -5.311 1.00 13.43 H new ATOM 0 HA ASP A 18 5.225 15.718 -3.589 1.00 23.21 H new ATOM 0 HB2 ASP A 18 2.735 17.083 -4.713 1.00 45.32 H new ATOM 0 HB3 ASP A 18 4.222 17.872 -4.225 1.00 45.32 H new ATOM 294 N GLN A 19 2.179 16.235 -2.388 1.00 64.14 N ATOM 295 CA GLN A 19 1.410 16.405 -1.147 1.00 53.24 C ATOM 296 C GLN A 19 0.396 15.264 -0.956 1.00 61.40 C ATOM 297 O GLN A 19 -0.327 15.222 0.042 1.00 12.22 O ATOM 298 CB GLN A 19 0.693 17.761 -1.152 1.00 13.34 C ATOM 299 CG GLN A 19 1.643 18.952 -1.238 1.00 11.11 C ATOM 300 CD GLN A 19 0.938 20.299 -1.150 1.00 72.24 C ATOM 301 OE1 GLN A 19 1.498 21.269 -0.649 1.00 13.20 O ATOM 302 NE2 GLN A 19 -0.283 20.380 -1.641 1.00 32.52 N ATOM 0 H GLN A 19 1.630 16.352 -3.239 1.00 64.14 H new ATOM 0 HA GLN A 19 2.108 16.374 -0.310 1.00 53.24 H new ATOM 0 HB2 GLN A 19 0.003 17.795 -1.995 1.00 13.34 H new ATOM 0 HB3 GLN A 19 0.093 17.849 -0.246 1.00 13.34 H new ATOM 0 HG2 GLN A 19 2.376 18.881 -0.434 1.00 11.11 H new ATOM 0 HG3 GLN A 19 2.194 18.900 -2.177 1.00 11.11 H new ATOM 0 HE21 GLN A 19 -0.723 19.557 -2.052 1.00 32.52 H new ATOM 0 HE22 GLN A 19 -0.787 21.266 -1.610 1.00 32.52 H new ATOM 311 N ASN A 20 0.357 14.346 -1.921 1.00 10.43 N ATOM 312 CA ASN A 20 -0.537 13.179 -1.877 1.00 34.00 C ATOM 313 C ASN A 20 0.267 11.868 -1.943 1.00 44.40 C ATOM 314 O ASN A 20 1.496 11.883 -2.036 1.00 71.23 O ATOM 315 CB ASN A 20 -1.535 13.234 -3.044 1.00 32.04 C ATOM 316 CG ASN A 20 -2.362 14.507 -3.049 1.00 11.23 C ATOM 317 OD1 ASN A 20 -1.972 15.511 -3.636 1.00 63.21 O ATOM 318 ND2 ASN A 20 -3.510 14.474 -2.406 1.00 63.25 N ATOM 0 H ASN A 20 0.941 14.386 -2.756 1.00 10.43 H new ATOM 0 HA ASN A 20 -1.082 13.204 -0.933 1.00 34.00 H new ATOM 0 HB2 ASN A 20 -0.991 13.155 -3.985 1.00 32.04 H new ATOM 0 HB3 ASN A 20 -2.201 12.373 -2.988 1.00 32.04 H new ATOM 0 HD21 ASN A 20 -4.107 15.301 -2.385 1.00 63.25 H new ATOM 0 HD22 ASN A 20 -3.803 13.621 -1.929 1.00 63.25 H new ATOM 325 N VAL A 21 -0.428 10.734 -1.894 1.00 72.23 N ATOM 326 CA VAL A 21 0.223 9.423 -1.999 1.00 72.40 C ATOM 327 C VAL A 21 -0.736 8.372 -2.596 1.00 41.03 C ATOM 328 O VAL A 21 -1.952 8.466 -2.433 1.00 61.04 O ATOM 329 CB VAL A 21 0.734 8.953 -0.611 1.00 51.32 C ATOM 330 CG1 VAL A 21 -0.419 8.807 0.374 1.00 65.24 C ATOM 331 CG2 VAL A 21 1.520 7.652 -0.719 1.00 60.04 C ATOM 0 H VAL A 21 -1.441 10.693 -1.782 1.00 72.23 H new ATOM 0 HA VAL A 21 1.076 9.528 -2.670 1.00 72.40 H new ATOM 0 HB VAL A 21 1.410 9.720 -0.233 1.00 51.32 H new ATOM 0 HG11 VAL A 21 -0.034 8.477 1.339 1.00 65.24 H new ATOM 0 HG12 VAL A 21 -0.920 9.768 0.493 1.00 65.24 H new ATOM 0 HG13 VAL A 21 -1.130 8.072 -0.004 1.00 65.24 H new ATOM 0 HG21 VAL A 21 1.863 7.351 0.271 1.00 60.04 H new ATOM 0 HG22 VAL A 21 0.880 6.873 -1.133 1.00 60.04 H new ATOM 0 HG23 VAL A 21 2.380 7.800 -1.372 1.00 60.04 H new ATOM 341 N ALA A 22 -0.187 7.386 -3.304 1.00 13.04 N ATOM 342 CA ALA A 22 -0.996 6.320 -3.912 1.00 75.30 C ATOM 343 C ALA A 22 -0.465 4.926 -3.538 1.00 51.41 C ATOM 344 O ALA A 22 0.738 4.741 -3.351 1.00 33.50 O ATOM 345 CB ALA A 22 -1.032 6.487 -5.428 1.00 4.44 C ATOM 0 H ALA A 22 0.815 7.299 -3.473 1.00 13.04 H new ATOM 0 HA ALA A 22 -2.010 6.403 -3.520 1.00 75.30 H new ATOM 0 HB1 ALA A 22 -1.634 5.692 -5.867 1.00 4.44 H new ATOM 0 HB2 ALA A 22 -1.470 7.454 -5.677 1.00 4.44 H new ATOM 0 HB3 ALA A 22 -0.018 6.435 -5.824 1.00 4.44 H new ATOM 351 N ILE A 23 -1.366 3.943 -3.437 1.00 23.15 N ATOM 352 CA ILE A 23 -0.988 2.571 -3.043 1.00 31.22 C ATOM 353 C ILE A 23 -1.503 1.516 -4.042 1.00 11.05 C ATOM 354 O ILE A 23 -2.562 1.684 -4.651 1.00 5.14 O ATOM 355 CB ILE A 23 -1.517 2.227 -1.623 1.00 73.43 C ATOM 356 CG1 ILE A 23 -3.048 2.390 -1.561 1.00 30.13 C ATOM 357 CG2 ILE A 23 -0.836 3.097 -0.564 1.00 63.15 C ATOM 358 CD1 ILE A 23 -3.657 2.043 -0.216 1.00 70.32 C ATOM 0 H ILE A 23 -2.362 4.066 -3.621 1.00 23.15 H new ATOM 0 HA ILE A 23 0.102 2.544 -3.042 1.00 31.22 H new ATOM 0 HB ILE A 23 -1.275 1.185 -1.412 1.00 73.43 H new ATOM 0 HG12 ILE A 23 -3.302 3.421 -1.807 1.00 30.13 H new ATOM 0 HG13 ILE A 23 -3.500 1.759 -2.326 1.00 30.13 H new ATOM 0 HG21 ILE A 23 -1.222 2.839 0.422 1.00 63.15 H new ATOM 0 HG22 ILE A 23 0.240 2.925 -0.589 1.00 63.15 H new ATOM 0 HG23 ILE A 23 -1.040 4.148 -0.770 1.00 63.15 H new ATOM 0 HD11 ILE A 23 -4.737 2.185 -0.258 1.00 70.32 H new ATOM 0 HD12 ILE A 23 -3.437 1.003 0.026 1.00 70.32 H new ATOM 0 HD13 ILE A 23 -3.236 2.691 0.552 1.00 70.32 H new ATOM 370 N ALA A 24 -0.738 0.432 -4.203 1.00 54.02 N ATOM 371 CA ALA A 24 -1.118 -0.679 -5.088 1.00 13.51 C ATOM 372 C ALA A 24 -0.391 -1.981 -4.704 1.00 40.24 C ATOM 373 O ALA A 24 0.646 -1.950 -4.040 1.00 41.13 O ATOM 374 CB ALA A 24 -0.823 -0.325 -6.541 1.00 72.34 C ATOM 0 H ALA A 24 0.155 0.298 -3.729 1.00 54.02 H new ATOM 0 HA ALA A 24 -2.189 -0.844 -4.970 1.00 13.51 H new ATOM 0 HB1 ALA A 24 -1.110 -1.157 -7.184 1.00 72.34 H new ATOM 0 HB2 ALA A 24 -1.390 0.562 -6.822 1.00 72.34 H new ATOM 0 HB3 ALA A 24 0.242 -0.127 -6.658 1.00 72.34 H new ATOM 380 N VAL A 25 -0.940 -3.120 -5.127 1.00 31.35 N ATOM 381 CA VAL A 25 -0.341 -4.434 -4.847 1.00 20.03 C ATOM 382 C VAL A 25 -0.111 -5.235 -6.144 1.00 72.13 C ATOM 383 O VAL A 25 -0.910 -5.165 -7.082 1.00 2.10 O ATOM 384 CB VAL A 25 -1.235 -5.264 -3.883 1.00 31.41 C ATOM 385 CG1 VAL A 25 -0.658 -6.663 -3.655 1.00 62.52 C ATOM 386 CG2 VAL A 25 -1.415 -4.537 -2.552 1.00 3.10 C ATOM 0 H VAL A 25 -1.804 -3.163 -5.668 1.00 31.35 H new ATOM 0 HA VAL A 25 0.622 -4.249 -4.371 1.00 20.03 H new ATOM 0 HB VAL A 25 -2.212 -5.376 -4.352 1.00 31.41 H new ATOM 0 HG11 VAL A 25 -1.306 -7.218 -2.977 1.00 62.52 H new ATOM 0 HG12 VAL A 25 -0.594 -7.190 -4.607 1.00 62.52 H new ATOM 0 HG13 VAL A 25 0.337 -6.579 -3.219 1.00 62.52 H new ATOM 0 HG21 VAL A 25 -2.044 -5.135 -1.893 1.00 3.10 H new ATOM 0 HG22 VAL A 25 -0.442 -4.385 -2.086 1.00 3.10 H new ATOM 0 HG23 VAL A 25 -1.888 -3.571 -2.726 1.00 3.10 H new ATOM 396 N ASP A 26 0.988 -5.990 -6.189 1.00 11.12 N ATOM 397 CA ASP A 26 1.322 -6.830 -7.348 1.00 44.10 C ATOM 398 C ASP A 26 1.364 -8.319 -6.960 1.00 32.11 C ATOM 399 O ASP A 26 1.789 -8.675 -5.858 1.00 33.13 O ATOM 400 CB ASP A 26 2.680 -6.411 -7.923 1.00 30.12 C ATOM 401 CG ASP A 26 2.738 -4.930 -8.253 1.00 50.44 C ATOM 402 OD1 ASP A 26 2.790 -4.114 -7.313 1.00 1.21 O ATOM 403 OD2 ASP A 26 2.743 -4.571 -9.452 1.00 43.11 O ATOM 0 H ASP A 26 1.669 -6.039 -5.431 1.00 11.12 H new ATOM 0 HA ASP A 26 0.546 -6.691 -8.101 1.00 44.10 H new ATOM 0 HB2 ASP A 26 3.465 -6.651 -7.206 1.00 30.12 H new ATOM 0 HB3 ASP A 26 2.884 -6.989 -8.824 1.00 30.12 H new ATOM 408 N GLN A 27 0.926 -9.185 -7.873 1.00 61.32 N ATOM 409 CA GLN A 27 0.943 -10.637 -7.648 1.00 50.11 C ATOM 410 C GLN A 27 2.185 -11.283 -8.290 1.00 51.34 C ATOM 411 O GLN A 27 2.504 -11.027 -9.454 1.00 73.43 O ATOM 412 CB GLN A 27 -0.343 -11.277 -8.209 1.00 62.05 C ATOM 413 CG GLN A 27 -0.501 -11.145 -9.725 1.00 72.14 C ATOM 414 CD GLN A 27 -1.780 -11.778 -10.255 1.00 12.22 C ATOM 415 OE1 GLN A 27 -2.814 -11.128 -10.365 1.00 74.12 O ATOM 416 NE2 GLN A 27 -1.724 -13.054 -10.582 1.00 51.33 N ATOM 0 H GLN A 27 0.553 -8.908 -8.781 1.00 61.32 H new ATOM 0 HA GLN A 27 0.988 -10.814 -6.573 1.00 50.11 H new ATOM 0 HB2 GLN A 27 -0.354 -12.334 -7.945 1.00 62.05 H new ATOM 0 HB3 GLN A 27 -1.205 -10.818 -7.724 1.00 62.05 H new ATOM 0 HG2 GLN A 27 -0.488 -10.089 -9.994 1.00 72.14 H new ATOM 0 HG3 GLN A 27 0.355 -11.609 -10.214 1.00 72.14 H new ATOM 0 HE21 GLN A 27 -0.849 -13.569 -10.480 1.00 51.33 H new ATOM 0 HE22 GLN A 27 -2.555 -13.526 -10.937 1.00 51.33 H new ATOM 425 N ILE A 28 2.897 -12.108 -7.528 1.00 42.31 N ATOM 426 CA ILE A 28 4.063 -12.823 -8.055 1.00 73.24 C ATOM 427 C ILE A 28 3.645 -14.146 -8.713 1.00 73.50 C ATOM 428 O ILE A 28 3.306 -15.118 -8.036 1.00 11.22 O ATOM 429 CB ILE A 28 5.119 -13.094 -6.951 1.00 64.32 C ATOM 430 CG1 ILE A 28 5.598 -11.763 -6.344 1.00 12.32 C ATOM 431 CG2 ILE A 28 6.297 -13.892 -7.513 1.00 54.50 C ATOM 432 CD1 ILE A 28 6.707 -11.910 -5.322 1.00 14.32 C ATOM 0 H ILE A 28 2.691 -12.300 -6.548 1.00 42.31 H new ATOM 0 HA ILE A 28 4.517 -12.180 -8.809 1.00 73.24 H new ATOM 0 HB ILE A 28 4.658 -13.690 -6.163 1.00 64.32 H new ATOM 0 HG12 ILE A 28 5.944 -11.114 -7.148 1.00 12.32 H new ATOM 0 HG13 ILE A 28 4.750 -11.265 -5.874 1.00 12.32 H new ATOM 0 HG21 ILE A 28 7.026 -14.071 -6.722 1.00 54.50 H new ATOM 0 HG22 ILE A 28 5.939 -14.846 -7.899 1.00 54.50 H new ATOM 0 HG23 ILE A 28 6.767 -13.328 -8.319 1.00 54.50 H new ATOM 0 HD11 ILE A 28 6.986 -10.927 -4.944 1.00 14.32 H new ATOM 0 HD12 ILE A 28 6.361 -12.532 -4.496 1.00 14.32 H new ATOM 0 HD13 ILE A 28 7.573 -12.378 -5.790 1.00 14.32 H new ATOM 444 N VAL A 29 3.667 -14.165 -10.042 1.00 74.43 N ATOM 445 CA VAL A 29 3.242 -15.331 -10.818 1.00 5.14 C ATOM 446 C VAL A 29 4.403 -16.334 -10.987 1.00 23.24 C ATOM 447 O VAL A 29 5.568 -15.987 -10.782 1.00 43.10 O ATOM 448 CB VAL A 29 2.712 -14.892 -12.214 1.00 1.32 C ATOM 449 CG1 VAL A 29 1.969 -16.033 -12.909 1.00 31.31 C ATOM 450 CG2 VAL A 29 1.815 -13.654 -12.094 1.00 63.43 C ATOM 0 H VAL A 29 3.978 -13.378 -10.612 1.00 74.43 H new ATOM 0 HA VAL A 29 2.437 -15.823 -10.272 1.00 5.14 H new ATOM 0 HB VAL A 29 3.574 -14.631 -12.828 1.00 1.32 H new ATOM 0 HG11 VAL A 29 1.611 -15.695 -13.882 1.00 31.31 H new ATOM 0 HG12 VAL A 29 2.644 -16.878 -13.044 1.00 31.31 H new ATOM 0 HG13 VAL A 29 1.121 -16.341 -12.297 1.00 31.31 H new ATOM 0 HG21 VAL A 29 1.457 -13.367 -13.083 1.00 63.43 H new ATOM 0 HG22 VAL A 29 0.964 -13.882 -11.452 1.00 63.43 H new ATOM 0 HG23 VAL A 29 2.385 -12.832 -11.662 1.00 63.43 H new ATOM 460 N GLY A 30 4.088 -17.573 -11.364 1.00 33.00 N ATOM 461 CA GLY A 30 5.117 -18.604 -11.517 1.00 4.43 C ATOM 462 C GLY A 30 6.280 -18.193 -12.426 1.00 62.14 C ATOM 463 O GLY A 30 7.429 -18.569 -12.184 1.00 65.31 O ATOM 0 H GLY A 30 3.139 -17.886 -11.568 1.00 33.00 H new ATOM 0 HA2 GLY A 30 5.511 -18.859 -10.533 1.00 4.43 H new ATOM 0 HA3 GLY A 30 4.656 -19.506 -11.919 1.00 4.43 H new ATOM 467 N LYS A 31 5.990 -17.412 -13.466 1.00 72.42 N ATOM 468 CA LYS A 31 7.018 -16.996 -14.433 1.00 42.25 C ATOM 469 C LYS A 31 7.426 -15.518 -14.261 1.00 25.21 C ATOM 470 O LYS A 31 8.008 -14.921 -15.173 1.00 11.11 O ATOM 471 CB LYS A 31 6.517 -17.226 -15.866 1.00 73.54 C ATOM 472 CG LYS A 31 6.082 -18.662 -16.152 1.00 43.44 C ATOM 473 CD LYS A 31 5.604 -18.837 -17.594 1.00 65.13 C ATOM 474 CE LYS A 31 4.395 -17.958 -17.913 1.00 71.45 C ATOM 475 NZ LYS A 31 3.218 -18.298 -17.069 1.00 43.42 N ATOM 0 H LYS A 31 5.056 -17.053 -13.664 1.00 72.42 H new ATOM 0 HA LYS A 31 7.901 -17.606 -14.242 1.00 42.25 H new ATOM 0 HB2 LYS A 31 5.677 -16.558 -16.057 1.00 73.54 H new ATOM 0 HB3 LYS A 31 7.308 -16.951 -16.564 1.00 73.54 H new ATOM 0 HG2 LYS A 31 6.915 -19.338 -15.961 1.00 43.44 H new ATOM 0 HG3 LYS A 31 5.281 -18.942 -15.468 1.00 43.44 H new ATOM 0 HD2 LYS A 31 6.418 -18.594 -18.277 1.00 65.13 H new ATOM 0 HD3 LYS A 31 5.346 -19.882 -17.765 1.00 65.13 H new ATOM 0 HE2 LYS A 31 4.659 -16.911 -17.762 1.00 71.45 H new ATOM 0 HE3 LYS A 31 4.132 -18.072 -18.965 1.00 71.45 H new ATOM 0 HZ1 LYS A 31 2.385 -17.775 -17.408 1.00 43.42 H new ATOM 0 HZ2 LYS A 31 3.033 -19.320 -17.127 1.00 43.42 H new ATOM 0 HZ3 LYS A 31 3.412 -18.037 -16.081 1.00 43.42 H new ATOM 489 N GLY A 32 7.129 -14.929 -13.102 1.00 1.14 N ATOM 490 CA GLY A 32 7.517 -13.542 -12.848 1.00 31.31 C ATOM 491 C GLY A 32 6.539 -12.785 -11.949 1.00 63.52 C ATOM 492 O GLY A 32 6.073 -13.304 -10.939 1.00 11.22 O ATOM 0 H GLY A 32 6.630 -15.382 -12.336 1.00 1.14 H new ATOM 0 HA2 GLY A 32 8.505 -13.529 -12.387 1.00 31.31 H new ATOM 0 HA3 GLY A 32 7.602 -13.018 -13.800 1.00 31.31 H new ATOM 496 N THR A 33 6.232 -11.544 -12.319 1.00 34.43 N ATOM 497 CA THR A 33 5.330 -10.688 -11.529 1.00 51.12 C ATOM 498 C THR A 33 4.288 -10.003 -12.415 1.00 33.35 C ATOM 499 O THR A 33 4.516 -9.778 -13.605 1.00 4.42 O ATOM 500 CB THR A 33 6.103 -9.589 -10.756 1.00 34.12 C ATOM 501 OG1 THR A 33 6.856 -8.774 -11.669 1.00 23.42 O ATOM 502 CG2 THR A 33 7.039 -10.199 -9.717 1.00 34.34 C ATOM 0 H THR A 33 6.593 -11.101 -13.164 1.00 34.43 H new ATOM 0 HA THR A 33 4.835 -11.351 -10.819 1.00 51.12 H new ATOM 0 HB THR A 33 5.372 -8.969 -10.237 1.00 34.12 H new ATOM 0 HG1 THR A 33 7.338 -8.083 -11.169 1.00 23.42 H new ATOM 0 HG21 THR A 33 7.567 -9.403 -9.191 1.00 34.34 H new ATOM 0 HG22 THR A 33 6.459 -10.783 -9.003 1.00 34.34 H new ATOM 0 HG23 THR A 33 7.761 -10.847 -10.214 1.00 34.34 H new ATOM 510 N SER A 34 3.146 -9.659 -11.827 1.00 74.24 N ATOM 511 CA SER A 34 2.046 -9.028 -12.572 1.00 21.12 C ATOM 512 C SER A 34 1.198 -8.127 -11.656 1.00 52.45 C ATOM 513 O SER A 34 0.912 -8.499 -10.521 1.00 22.12 O ATOM 514 CB SER A 34 1.162 -10.112 -13.217 1.00 72.34 C ATOM 515 OG SER A 34 1.904 -10.914 -14.125 1.00 31.21 O ATOM 0 H SER A 34 2.952 -9.804 -10.836 1.00 74.24 H new ATOM 0 HA SER A 34 2.477 -8.402 -13.353 1.00 21.12 H new ATOM 0 HB2 SER A 34 0.732 -10.743 -12.439 1.00 72.34 H new ATOM 0 HB3 SER A 34 0.330 -9.641 -13.741 1.00 72.34 H new ATOM 0 HG SER A 34 1.316 -11.593 -14.517 1.00 31.21 H new ATOM 521 N PRO A 35 0.794 -6.925 -12.125 1.00 4.14 N ATOM 522 CA PRO A 35 -0.025 -5.993 -11.319 1.00 2.31 C ATOM 523 C PRO A 35 -1.353 -6.615 -10.837 1.00 4.12 C ATOM 524 O PRO A 35 -2.087 -7.226 -11.620 1.00 23.32 O ATOM 525 CB PRO A 35 -0.298 -4.827 -12.284 1.00 64.21 C ATOM 526 CG PRO A 35 0.803 -4.902 -13.289 1.00 61.50 C ATOM 527 CD PRO A 35 1.104 -6.369 -13.458 1.00 10.20 C ATOM 0 HA PRO A 35 0.490 -5.701 -10.404 1.00 2.31 H new ATOM 0 HB2 PRO A 35 -1.274 -4.926 -12.758 1.00 64.21 H new ATOM 0 HB3 PRO A 35 -0.293 -3.871 -11.761 1.00 64.21 H new ATOM 0 HG2 PRO A 35 0.500 -4.453 -14.235 1.00 61.50 H new ATOM 0 HG3 PRO A 35 1.684 -4.359 -12.946 1.00 61.50 H new ATOM 0 HD2 PRO A 35 0.489 -6.820 -14.237 1.00 10.20 H new ATOM 0 HD3 PRO A 35 2.145 -6.539 -13.735 1.00 10.20 H new ATOM 535 N LEU A 36 -1.657 -6.458 -9.547 1.00 33.31 N ATOM 536 CA LEU A 36 -2.878 -7.029 -8.963 1.00 53.11 C ATOM 537 C LEU A 36 -3.976 -5.962 -8.788 1.00 24.12 C ATOM 538 O LEU A 36 -5.137 -6.181 -9.141 1.00 4.42 O ATOM 539 CB LEU A 36 -2.560 -7.678 -7.609 1.00 23.04 C ATOM 540 CG LEU A 36 -3.721 -8.449 -6.961 1.00 72.31 C ATOM 541 CD1 LEU A 36 -4.044 -9.714 -7.754 1.00 64.21 C ATOM 542 CD2 LEU A 36 -3.397 -8.785 -5.510 1.00 24.43 C ATOM 0 H LEU A 36 -1.077 -5.941 -8.886 1.00 33.31 H new ATOM 0 HA LEU A 36 -3.253 -7.786 -9.651 1.00 53.11 H new ATOM 0 HB2 LEU A 36 -1.721 -8.361 -7.740 1.00 23.04 H new ATOM 0 HB3 LEU A 36 -2.233 -6.900 -6.920 1.00 23.04 H new ATOM 0 HG LEU A 36 -4.604 -7.810 -6.974 1.00 72.31 H new ATOM 0 HD11 LEU A 36 -4.869 -10.243 -7.276 1.00 64.21 H new ATOM 0 HD12 LEU A 36 -4.327 -9.443 -8.771 1.00 64.21 H new ATOM 0 HD13 LEU A 36 -3.167 -10.360 -7.782 1.00 64.21 H new ATOM 0 HD21 LEU A 36 -4.231 -9.331 -5.068 1.00 24.43 H new ATOM 0 HD22 LEU A 36 -2.499 -9.401 -5.471 1.00 24.43 H new ATOM 0 HD23 LEU A 36 -3.230 -7.864 -4.952 1.00 24.43 H new ATOM 554 N THR A 37 -3.605 -4.807 -8.231 1.00 31.21 N ATOM 555 CA THR A 37 -4.557 -3.700 -8.014 1.00 33.53 C ATOM 556 C THR A 37 -4.068 -2.401 -8.670 1.00 64.02 C ATOM 557 O THR A 37 -2.879 -2.243 -8.949 1.00 33.15 O ATOM 558 CB THR A 37 -4.790 -3.424 -6.505 1.00 71.41 C ATOM 559 OG1 THR A 37 -3.623 -2.823 -5.920 1.00 44.22 O ATOM 560 CG2 THR A 37 -5.126 -4.708 -5.750 1.00 53.22 C ATOM 0 H THR A 37 -2.654 -4.608 -7.920 1.00 31.21 H new ATOM 0 HA THR A 37 -5.494 -4.016 -8.473 1.00 33.53 H new ATOM 0 HB THR A 37 -5.635 -2.740 -6.424 1.00 71.41 H new ATOM 0 HG1 THR A 37 -3.537 -3.115 -4.988 1.00 44.22 H new ATOM 0 HG21 THR A 37 -5.283 -4.480 -4.696 1.00 53.22 H new ATOM 0 HG22 THR A 37 -6.033 -5.148 -6.165 1.00 53.22 H new ATOM 0 HG23 THR A 37 -4.302 -5.415 -5.849 1.00 53.22 H new ATOM 568 N SER A 38 -4.992 -1.471 -8.911 1.00 41.43 N ATOM 569 CA SER A 38 -4.640 -0.150 -9.455 1.00 44.00 C ATOM 570 C SER A 38 -4.063 0.760 -8.362 1.00 31.14 C ATOM 571 O SER A 38 -4.115 0.434 -7.174 1.00 53.01 O ATOM 572 CB SER A 38 -5.867 0.522 -10.090 1.00 63.23 C ATOM 573 OG SER A 38 -5.551 1.811 -10.602 1.00 43.42 O ATOM 0 H SER A 38 -5.989 -1.603 -8.740 1.00 41.43 H new ATOM 0 HA SER A 38 -3.881 -0.302 -10.222 1.00 44.00 H new ATOM 0 HB2 SER A 38 -6.251 -0.106 -10.894 1.00 63.23 H new ATOM 0 HB3 SER A 38 -6.660 0.609 -9.347 1.00 63.23 H new ATOM 0 HG SER A 38 -6.352 2.210 -11.000 1.00 43.42 H new ATOM 579 N TYR A 39 -3.516 1.901 -8.768 1.00 54.23 N ATOM 580 CA TYR A 39 -2.927 2.860 -7.827 1.00 11.43 C ATOM 581 C TYR A 39 -3.987 3.843 -7.311 1.00 23.13 C ATOM 582 O TYR A 39 -4.393 4.770 -8.017 1.00 22.34 O ATOM 583 CB TYR A 39 -1.765 3.614 -8.492 1.00 42.00 C ATOM 584 CG TYR A 39 -0.627 2.702 -8.913 1.00 3.45 C ATOM 585 CD1 TYR A 39 -0.718 1.932 -10.068 1.00 24.34 C ATOM 586 CD2 TYR A 39 0.529 2.593 -8.145 1.00 64.11 C ATOM 587 CE1 TYR A 39 0.303 1.080 -10.443 1.00 33.22 C ATOM 588 CE2 TYR A 39 1.557 1.746 -8.517 1.00 2.24 C ATOM 589 CZ TYR A 39 1.437 0.992 -9.665 1.00 54.54 C ATOM 590 OH TYR A 39 2.454 0.137 -10.033 1.00 73.54 O ATOM 0 H TYR A 39 -3.466 2.189 -9.745 1.00 54.23 H new ATOM 0 HA TYR A 39 -2.538 2.307 -6.972 1.00 11.43 H new ATOM 0 HB2 TYR A 39 -2.139 4.147 -9.367 1.00 42.00 H new ATOM 0 HB3 TYR A 39 -1.384 4.365 -7.800 1.00 42.00 H new ATOM 0 HD1 TYR A 39 -1.603 2.001 -10.683 1.00 24.34 H new ATOM 0 HD2 TYR A 39 0.625 3.180 -7.243 1.00 64.11 H new ATOM 0 HE1 TYR A 39 0.213 0.486 -11.341 1.00 33.22 H new ATOM 0 HE2 TYR A 39 2.449 1.676 -7.912 1.00 2.24 H new ATOM 0 HH TYR A 39 3.307 0.619 -10.022 1.00 73.54 H new ATOM 600 N PHE A 40 -4.440 3.620 -6.079 1.00 10.50 N ATOM 601 CA PHE A 40 -5.515 4.423 -5.481 1.00 55.12 C ATOM 602 C PHE A 40 -4.956 5.689 -4.808 1.00 24.54 C ATOM 603 O PHE A 40 -3.994 5.620 -4.040 1.00 44.14 O ATOM 604 CB PHE A 40 -6.289 3.568 -4.471 1.00 62.10 C ATOM 605 CG PHE A 40 -6.688 2.221 -5.027 1.00 11.00 C ATOM 606 CD1 PHE A 40 -7.582 2.129 -6.085 1.00 53.42 C ATOM 607 CD2 PHE A 40 -6.160 1.050 -4.499 1.00 0.45 C ATOM 608 CE1 PHE A 40 -7.939 0.900 -6.604 1.00 44.24 C ATOM 609 CE2 PHE A 40 -6.518 -0.182 -5.013 1.00 54.54 C ATOM 610 CZ PHE A 40 -7.407 -0.257 -6.067 1.00 51.55 C ATOM 0 H PHE A 40 -4.079 2.886 -5.469 1.00 10.50 H new ATOM 0 HA PHE A 40 -6.192 4.746 -6.272 1.00 55.12 H new ATOM 0 HB2 PHE A 40 -5.677 3.422 -3.581 1.00 62.10 H new ATOM 0 HB3 PHE A 40 -7.184 4.106 -4.157 1.00 62.10 H new ATOM 0 HD1 PHE A 40 -8.003 3.029 -6.507 1.00 53.42 H new ATOM 0 HD2 PHE A 40 -5.461 1.103 -3.677 1.00 0.45 H new ATOM 0 HE1 PHE A 40 -8.634 0.843 -7.429 1.00 44.24 H new ATOM 0 HE2 PHE A 40 -6.103 -1.085 -4.591 1.00 54.54 H new ATOM 0 HZ PHE A 40 -7.686 -1.219 -6.471 1.00 51.55 H new ATOM 620 N PHE A 41 -5.576 6.837 -5.089 1.00 2.01 N ATOM 621 CA PHE A 41 -5.054 8.139 -4.645 1.00 11.45 C ATOM 622 C PHE A 41 -5.632 8.586 -3.288 1.00 23.32 C ATOM 623 O PHE A 41 -6.847 8.653 -3.095 1.00 55.02 O ATOM 624 CB PHE A 41 -5.344 9.204 -5.711 1.00 2.21 C ATOM 625 CG PHE A 41 -4.687 8.921 -7.042 1.00 5.42 C ATOM 626 CD1 PHE A 41 -3.387 9.338 -7.292 1.00 51.20 C ATOM 627 CD2 PHE A 41 -5.368 8.232 -8.038 1.00 74.50 C ATOM 628 CE1 PHE A 41 -2.782 9.078 -8.509 1.00 35.31 C ATOM 629 CE2 PHE A 41 -4.766 7.969 -9.254 1.00 53.53 C ATOM 630 CZ PHE A 41 -3.472 8.392 -9.490 1.00 44.44 C ATOM 0 H PHE A 41 -6.443 6.895 -5.623 1.00 2.01 H new ATOM 0 HA PHE A 41 -3.979 8.023 -4.509 1.00 11.45 H new ATOM 0 HB2 PHE A 41 -6.422 9.278 -5.855 1.00 2.21 H new ATOM 0 HB3 PHE A 41 -5.004 10.173 -5.346 1.00 2.21 H new ATOM 0 HD1 PHE A 41 -2.841 9.872 -6.528 1.00 51.20 H new ATOM 0 HD2 PHE A 41 -6.380 7.898 -7.860 1.00 74.50 H new ATOM 0 HE1 PHE A 41 -1.771 9.411 -8.692 1.00 35.31 H new ATOM 0 HE2 PHE A 41 -5.307 7.433 -10.020 1.00 53.53 H new ATOM 0 HZ PHE A 41 -3.001 8.187 -10.440 1.00 44.44 H new ATOM 640 N TRP A 42 -4.736 8.918 -2.361 1.00 21.24 N ATOM 641 CA TRP A 42 -5.104 9.382 -1.018 1.00 13.02 C ATOM 642 C TRP A 42 -4.286 10.635 -0.622 1.00 20.13 C ATOM 643 O TRP A 42 -3.068 10.669 -0.797 1.00 21.41 O ATOM 644 CB TRP A 42 -4.900 8.228 -0.014 1.00 31.53 C ATOM 645 CG TRP A 42 -4.602 8.647 1.403 1.00 52.21 C ATOM 646 CD1 TRP A 42 -3.369 8.689 1.990 1.00 62.23 C ATOM 647 CD2 TRP A 42 -5.537 9.062 2.413 1.00 54.23 C ATOM 648 NE1 TRP A 42 -3.473 9.108 3.289 1.00 60.24 N ATOM 649 CE2 TRP A 42 -4.791 9.344 3.576 1.00 41.13 C ATOM 650 CE3 TRP A 42 -6.927 9.225 2.451 1.00 62.04 C ATOM 651 CZ2 TRP A 42 -5.385 9.781 4.757 1.00 43.11 C ATOM 652 CZ3 TRP A 42 -7.516 9.660 3.628 1.00 35.14 C ATOM 653 CH2 TRP A 42 -6.744 9.931 4.767 1.00 24.22 C ATOM 0 H TRP A 42 -3.729 8.874 -2.517 1.00 21.24 H new ATOM 0 HA TRP A 42 -6.154 9.675 -1.008 1.00 13.02 H new ATOM 0 HB2 TRP A 42 -5.797 7.609 -0.011 1.00 31.53 H new ATOM 0 HB3 TRP A 42 -4.082 7.601 -0.369 1.00 31.53 H new ATOM 0 HD1 TRP A 42 -2.443 8.428 1.499 1.00 62.23 H new ATOM 0 HE1 TRP A 42 -2.695 9.225 3.938 1.00 60.24 H new ATOM 0 HE3 TRP A 42 -7.529 9.016 1.579 1.00 62.04 H new ATOM 0 HZ2 TRP A 42 -4.793 9.994 5.635 1.00 43.11 H new ATOM 0 HZ3 TRP A 42 -8.587 9.792 3.669 1.00 35.14 H new ATOM 0 HH2 TRP A 42 -7.233 10.265 5.670 1.00 24.22 H new ATOM 664 N PRO A 43 -4.942 11.704 -0.113 1.00 11.13 N ATOM 665 CA PRO A 43 -6.405 11.780 0.043 1.00 22.52 C ATOM 666 C PRO A 43 -7.135 12.315 -1.207 1.00 1.34 C ATOM 667 O PRO A 43 -7.176 13.521 -1.455 1.00 63.24 O ATOM 668 CB PRO A 43 -6.545 12.764 1.204 1.00 75.23 C ATOM 669 CG PRO A 43 -5.433 13.733 0.977 1.00 33.14 C ATOM 670 CD PRO A 43 -4.290 12.929 0.395 1.00 72.51 C ATOM 0 HA PRO A 43 -6.852 10.800 0.206 1.00 22.52 H new ATOM 0 HB2 PRO A 43 -7.516 13.259 1.196 1.00 75.23 H new ATOM 0 HB3 PRO A 43 -6.451 12.264 2.168 1.00 75.23 H new ATOM 0 HG2 PRO A 43 -5.740 14.526 0.294 1.00 33.14 H new ATOM 0 HG3 PRO A 43 -5.137 14.213 1.910 1.00 33.14 H new ATOM 0 HD2 PRO A 43 -3.784 13.473 -0.403 1.00 72.51 H new ATOM 0 HD3 PRO A 43 -3.538 12.698 1.150 1.00 72.51 H new ATOM 678 N ARG A 44 -7.681 11.406 -2.008 1.00 44.33 N ATOM 679 CA ARG A 44 -8.546 11.773 -3.138 1.00 14.42 C ATOM 680 C ARG A 44 -9.799 10.889 -3.126 1.00 75.21 C ATOM 681 O ARG A 44 -10.917 11.349 -3.359 1.00 74.35 O ATOM 682 CB ARG A 44 -7.800 11.625 -4.476 1.00 54.55 C ATOM 683 CG ARG A 44 -6.559 12.510 -4.599 1.00 14.13 C ATOM 684 CD ARG A 44 -6.907 13.997 -4.535 1.00 20.11 C ATOM 685 NE ARG A 44 -7.754 14.413 -5.653 1.00 41.45 N ATOM 686 CZ ARG A 44 -8.731 15.274 -5.555 1.00 21.10 C ATOM 687 NH1 ARG A 44 -9.065 15.768 -4.407 1.00 24.15 N ATOM 688 NH2 ARG A 44 -9.394 15.621 -6.608 1.00 40.40 N ATOM 0 H ARG A 44 -7.542 10.401 -1.899 1.00 44.33 H new ATOM 0 HA ARG A 44 -8.836 12.818 -3.033 1.00 14.42 H new ATOM 0 HB2 ARG A 44 -7.504 10.583 -4.602 1.00 54.55 H new ATOM 0 HB3 ARG A 44 -8.485 11.863 -5.290 1.00 54.55 H new ATOM 0 HG2 ARG A 44 -5.860 12.267 -3.799 1.00 14.13 H new ATOM 0 HG3 ARG A 44 -6.053 12.296 -5.541 1.00 14.13 H new ATOM 0 HD2 ARG A 44 -7.417 14.209 -3.596 1.00 20.11 H new ATOM 0 HD3 ARG A 44 -5.989 14.584 -4.538 1.00 20.11 H new ATOM 0 HE ARG A 44 -7.569 14.004 -6.569 1.00 41.45 H new ATOM 0 HH11 ARG A 44 -8.563 15.486 -3.565 1.00 24.15 H new ATOM 0 HH12 ARG A 44 -9.830 16.440 -4.344 1.00 24.15 H new ATOM 0 HH21 ARG A 44 -9.154 15.222 -7.516 1.00 40.40 H new ATOM 0 HH22 ARG A 44 -10.157 16.293 -6.532 1.00 40.40 H new ATOM 702 N ALA A 45 -9.582 9.607 -2.861 1.00 63.22 N ATOM 703 CA ALA A 45 -10.660 8.647 -2.623 1.00 15.05 C ATOM 704 C ALA A 45 -10.283 7.723 -1.460 1.00 51.41 C ATOM 705 O ALA A 45 -9.145 7.755 -0.981 1.00 42.40 O ATOM 706 CB ALA A 45 -10.936 7.835 -3.884 1.00 45.24 C ATOM 0 H ALA A 45 -8.649 9.199 -2.804 1.00 63.22 H new ATOM 0 HA ALA A 45 -11.568 9.190 -2.362 1.00 15.05 H new ATOM 0 HB1 ALA A 45 -11.740 7.125 -3.691 1.00 45.24 H new ATOM 0 HB2 ALA A 45 -11.230 8.506 -4.692 1.00 45.24 H new ATOM 0 HB3 ALA A 45 -10.035 7.293 -4.172 1.00 45.24 H new ATOM 712 N ASP A 46 -11.224 6.908 -0.997 1.00 70.20 N ATOM 713 CA ASP A 46 -10.935 5.951 0.072 1.00 73.44 C ATOM 714 C ASP A 46 -9.991 4.845 -0.430 1.00 71.33 C ATOM 715 O ASP A 46 -10.429 3.784 -0.880 1.00 32.33 O ATOM 716 CB ASP A 46 -12.235 5.369 0.637 1.00 44.05 C ATOM 717 CG ASP A 46 -13.054 6.427 1.355 1.00 10.34 C ATOM 718 OD1 ASP A 46 -13.801 7.168 0.682 1.00 75.44 O ATOM 719 OD2 ASP A 46 -12.929 6.544 2.594 1.00 20.51 O ATOM 0 H ASP A 46 -12.185 6.888 -1.339 1.00 70.20 H new ATOM 0 HA ASP A 46 -10.426 6.475 0.882 1.00 73.44 H new ATOM 0 HB2 ASP A 46 -12.824 4.939 -0.173 1.00 44.05 H new ATOM 0 HB3 ASP A 46 -12.002 4.558 1.327 1.00 44.05 H new ATOM 724 N ALA A 47 -8.688 5.133 -0.367 1.00 34.33 N ATOM 725 CA ALA A 47 -7.650 4.247 -0.906 1.00 10.41 C ATOM 726 C ALA A 47 -7.693 2.840 -0.295 1.00 31.04 C ATOM 727 O ALA A 47 -7.849 1.850 -1.012 1.00 14.54 O ATOM 728 CB ALA A 47 -6.273 4.873 -0.698 1.00 22.14 C ATOM 0 H ALA A 47 -8.322 5.985 0.058 1.00 34.33 H new ATOM 0 HA ALA A 47 -7.847 4.132 -1.972 1.00 10.41 H new ATOM 0 HB1 ALA A 47 -5.507 4.210 -1.100 1.00 22.14 H new ATOM 0 HB2 ALA A 47 -6.228 5.833 -1.212 1.00 22.14 H new ATOM 0 HB3 ALA A 47 -6.099 5.024 0.367 1.00 22.14 H new ATOM 734 N TRP A 48 -7.560 2.755 1.028 1.00 30.32 N ATOM 735 CA TRP A 48 -7.522 1.459 1.717 1.00 64.14 C ATOM 736 C TRP A 48 -8.812 0.661 1.468 1.00 14.44 C ATOM 737 O TRP A 48 -8.784 -0.565 1.339 1.00 24.43 O ATOM 738 CB TRP A 48 -7.292 1.659 3.223 1.00 1.22 C ATOM 739 CG TRP A 48 -6.885 0.405 3.942 1.00 42.22 C ATOM 740 CD1 TRP A 48 -5.649 -0.177 3.928 1.00 5.13 C ATOM 741 CD2 TRP A 48 -7.706 -0.417 4.780 1.00 71.15 C ATOM 742 NE1 TRP A 48 -5.653 -1.310 4.704 1.00 53.24 N ATOM 743 CE2 TRP A 48 -6.904 -1.480 5.239 1.00 31.45 C ATOM 744 CE3 TRP A 48 -9.040 -0.357 5.189 1.00 32.11 C ATOM 745 CZ2 TRP A 48 -7.396 -2.473 6.085 1.00 12.33 C ATOM 746 CZ3 TRP A 48 -9.527 -1.342 6.027 1.00 42.45 C ATOM 747 CH2 TRP A 48 -8.707 -2.387 6.467 1.00 64.31 C ATOM 0 H TRP A 48 -7.477 3.563 1.645 1.00 30.32 H new ATOM 0 HA TRP A 48 -6.689 0.884 1.311 1.00 64.14 H new ATOM 0 HB2 TRP A 48 -6.521 2.416 3.367 1.00 1.22 H new ATOM 0 HB3 TRP A 48 -8.206 2.045 3.673 1.00 1.22 H new ATOM 0 HD1 TRP A 48 -4.794 0.199 3.386 1.00 5.13 H new ATOM 0 HE1 TRP A 48 -4.854 -1.926 4.858 1.00 53.24 H new ATOM 0 HE3 TRP A 48 -9.681 0.446 4.856 1.00 32.11 H new ATOM 0 HZ2 TRP A 48 -6.765 -3.281 6.426 1.00 12.33 H new ATOM 0 HZ3 TRP A 48 -10.558 -1.305 6.348 1.00 42.45 H new ATOM 0 HH2 TRP A 48 -9.118 -3.141 7.122 1.00 64.31 H new ATOM 758 N GLN A 49 -9.941 1.367 1.394 1.00 74.13 N ATOM 759 CA GLN A 49 -11.229 0.743 1.069 1.00 74.22 C ATOM 760 C GLN A 49 -11.211 0.103 -0.330 1.00 23.24 C ATOM 761 O GLN A 49 -11.715 -1.003 -0.521 1.00 3.42 O ATOM 762 CB GLN A 49 -12.361 1.776 1.155 1.00 34.23 C ATOM 763 CG GLN A 49 -13.740 1.226 0.782 1.00 40.21 C ATOM 764 CD GLN A 49 -14.230 0.123 1.715 1.00 14.13 C ATOM 765 OE1 GLN A 49 -14.942 -0.787 1.298 1.00 24.03 O ATOM 766 NE2 GLN A 49 -13.883 0.204 2.987 1.00 2.40 N ATOM 0 H GLN A 49 -9.992 2.373 1.555 1.00 74.13 H new ATOM 0 HA GLN A 49 -11.405 -0.046 1.800 1.00 74.22 H new ATOM 0 HB2 GLN A 49 -12.402 2.171 2.170 1.00 34.23 H new ATOM 0 HB3 GLN A 49 -12.125 2.613 0.497 1.00 34.23 H new ATOM 0 HG2 GLN A 49 -14.462 2.043 0.788 1.00 40.21 H new ATOM 0 HG3 GLN A 49 -13.705 0.840 -0.237 1.00 40.21 H new ATOM 0 HE21 GLN A 49 -13.291 0.971 3.306 1.00 2.40 H new ATOM 0 HE22 GLN A 49 -14.207 -0.500 3.650 1.00 2.40 H new ATOM 775 N GLN A 50 -10.629 0.800 -1.303 1.00 73.24 N ATOM 776 CA GLN A 50 -10.517 0.269 -2.667 1.00 41.23 C ATOM 777 C GLN A 50 -9.521 -0.900 -2.725 1.00 55.32 C ATOM 778 O GLN A 50 -9.731 -1.877 -3.447 1.00 2.45 O ATOM 779 CB GLN A 50 -10.082 1.373 -3.641 1.00 5.55 C ATOM 780 CG GLN A 50 -11.060 2.539 -3.740 1.00 52.11 C ATOM 781 CD GLN A 50 -10.642 3.570 -4.778 1.00 23.11 C ATOM 782 OE1 GLN A 50 -11.011 3.478 -5.943 1.00 51.12 O ATOM 783 NE2 GLN A 50 -9.867 4.557 -4.369 1.00 20.52 N ATOM 0 H GLN A 50 -10.228 1.730 -1.178 1.00 73.24 H new ATOM 0 HA GLN A 50 -11.500 -0.099 -2.962 1.00 41.23 H new ATOM 0 HB2 GLN A 50 -9.109 1.754 -3.330 1.00 5.55 H new ATOM 0 HB3 GLN A 50 -9.951 0.938 -4.632 1.00 5.55 H new ATOM 0 HG2 GLN A 50 -12.050 2.157 -3.991 1.00 52.11 H new ATOM 0 HG3 GLN A 50 -11.142 3.022 -2.767 1.00 52.11 H new ATOM 0 HE21 GLN A 50 -9.577 4.606 -3.392 1.00 20.52 H new ATOM 0 HE22 GLN A 50 -9.559 5.270 -5.029 1.00 20.52 H new ATOM 792 N LEU A 51 -8.440 -0.792 -1.954 1.00 21.30 N ATOM 793 CA LEU A 51 -7.418 -1.841 -1.897 1.00 50.12 C ATOM 794 C LEU A 51 -7.985 -3.148 -1.318 1.00 75.32 C ATOM 795 O LEU A 51 -7.865 -4.213 -1.929 1.00 55.44 O ATOM 796 CB LEU A 51 -6.220 -1.368 -1.060 1.00 14.45 C ATOM 797 CG LEU A 51 -5.031 -2.341 -1.008 1.00 22.35 C ATOM 798 CD1 LEU A 51 -4.501 -2.622 -2.412 1.00 63.22 C ATOM 799 CD2 LEU A 51 -3.922 -1.792 -0.112 1.00 24.13 C ATOM 0 H LEU A 51 -8.247 0.013 -1.358 1.00 21.30 H new ATOM 0 HA LEU A 51 -7.088 -2.042 -2.916 1.00 50.12 H new ATOM 0 HB2 LEU A 51 -5.872 -0.416 -1.460 1.00 14.45 H new ATOM 0 HB3 LEU A 51 -6.560 -1.181 -0.042 1.00 14.45 H new ATOM 0 HG LEU A 51 -5.380 -3.281 -0.581 1.00 22.35 H new ATOM 0 HD11 LEU A 51 -3.660 -3.313 -2.352 1.00 63.22 H new ATOM 0 HD12 LEU A 51 -5.292 -3.065 -3.018 1.00 63.22 H new ATOM 0 HD13 LEU A 51 -4.172 -1.689 -2.870 1.00 63.22 H new ATOM 0 HD21 LEU A 51 -3.090 -2.496 -0.089 1.00 24.13 H new ATOM 0 HD22 LEU A 51 -3.577 -0.836 -0.505 1.00 24.13 H new ATOM 0 HD23 LEU A 51 -4.306 -1.652 0.898 1.00 24.13 H new ATOM 811 N LYS A 52 -8.605 -3.060 -0.139 1.00 41.31 N ATOM 812 CA LYS A 52 -9.232 -4.229 0.491 1.00 71.01 C ATOM 813 C LYS A 52 -10.337 -4.802 -0.408 1.00 55.14 C ATOM 814 O LYS A 52 -10.475 -6.015 -0.534 1.00 72.31 O ATOM 815 CB LYS A 52 -9.797 -3.867 1.879 1.00 64.43 C ATOM 816 CG LYS A 52 -10.947 -2.864 1.847 1.00 50.13 C ATOM 817 CD LYS A 52 -11.373 -2.429 3.250 1.00 4.31 C ATOM 818 CE LYS A 52 -11.947 -3.582 4.066 1.00 52.34 C ATOM 819 NZ LYS A 52 -13.214 -4.101 3.485 1.00 14.44 N ATOM 0 H LYS A 52 -8.687 -2.197 0.398 1.00 41.31 H new ATOM 0 HA LYS A 52 -8.466 -4.993 0.624 1.00 71.01 H new ATOM 0 HB2 LYS A 52 -10.139 -4.779 2.368 1.00 64.43 H new ATOM 0 HB3 LYS A 52 -8.992 -3.460 2.491 1.00 64.43 H new ATOM 0 HG2 LYS A 52 -10.647 -1.988 1.272 1.00 50.13 H new ATOM 0 HG3 LYS A 52 -11.799 -3.307 1.331 1.00 50.13 H new ATOM 0 HD2 LYS A 52 -10.514 -2.009 3.774 1.00 4.31 H new ATOM 0 HD3 LYS A 52 -12.118 -1.637 3.172 1.00 4.31 H new ATOM 0 HE2 LYS A 52 -11.215 -4.388 4.118 1.00 52.34 H new ATOM 0 HE3 LYS A 52 -12.127 -3.248 5.088 1.00 52.34 H new ATOM 0 HZ1 LYS A 52 -13.666 -4.750 4.161 1.00 14.44 H new ATOM 0 HZ2 LYS A 52 -13.855 -3.307 3.285 1.00 14.44 H new ATOM 0 HZ3 LYS A 52 -13.008 -4.610 2.602 1.00 14.44 H new ATOM 833 N ASP A 53 -11.093 -3.914 -1.056 1.00 62.32 N ATOM 834 CA ASP A 53 -12.178 -4.313 -1.958 1.00 74.11 C ATOM 835 C ASP A 53 -11.672 -5.279 -3.043 1.00 43.42 C ATOM 836 O ASP A 53 -12.272 -6.330 -3.283 1.00 45.30 O ATOM 837 CB ASP A 53 -12.793 -3.065 -2.600 1.00 73.42 C ATOM 838 CG ASP A 53 -13.990 -3.379 -3.477 1.00 23.13 C ATOM 839 OD1 ASP A 53 -15.045 -3.762 -2.929 1.00 12.14 O ATOM 840 OD2 ASP A 53 -13.894 -3.216 -4.711 1.00 44.54 O ATOM 0 H ASP A 53 -10.973 -2.905 -0.972 1.00 62.32 H new ATOM 0 HA ASP A 53 -12.939 -4.836 -1.378 1.00 74.11 H new ATOM 0 HB2 ASP A 53 -13.096 -2.371 -1.816 1.00 73.42 H new ATOM 0 HB3 ASP A 53 -12.035 -2.559 -3.197 1.00 73.42 H new ATOM 845 N GLU A 54 -10.560 -4.918 -3.683 1.00 3.22 N ATOM 846 CA GLU A 54 -9.919 -5.781 -4.683 1.00 53.24 C ATOM 847 C GLU A 54 -9.450 -7.110 -4.071 1.00 4.14 C ATOM 848 O GLU A 54 -9.766 -8.184 -4.579 1.00 22.23 O ATOM 849 CB GLU A 54 -8.722 -5.060 -5.322 1.00 44.52 C ATOM 850 CG GLU A 54 -9.098 -4.000 -6.352 1.00 40.34 C ATOM 851 CD GLU A 54 -9.726 -4.599 -7.605 1.00 14.41 C ATOM 852 OE1 GLU A 54 -8.988 -5.209 -8.413 1.00 15.34 O ATOM 853 OE2 GLU A 54 -10.955 -4.477 -7.784 1.00 61.43 O ATOM 0 H GLU A 54 -10.081 -4.031 -3.528 1.00 3.22 H new ATOM 0 HA GLU A 54 -10.665 -6.002 -5.447 1.00 53.24 H new ATOM 0 HB2 GLU A 54 -8.134 -4.590 -4.534 1.00 44.52 H new ATOM 0 HB3 GLU A 54 -8.080 -5.801 -5.799 1.00 44.52 H new ATOM 0 HG2 GLU A 54 -9.795 -3.293 -5.903 1.00 40.34 H new ATOM 0 HG3 GLU A 54 -8.207 -3.436 -6.630 1.00 40.34 H new ATOM 860 N LEU A 55 -8.691 -7.024 -2.980 1.00 22.44 N ATOM 861 CA LEU A 55 -8.115 -8.213 -2.331 1.00 33.13 C ATOM 862 C LEU A 55 -9.197 -9.190 -1.837 1.00 64.30 C ATOM 863 O LEU A 55 -9.002 -10.406 -1.857 1.00 33.33 O ATOM 864 CB LEU A 55 -7.217 -7.784 -1.162 1.00 45.41 C ATOM 865 CG LEU A 55 -6.001 -6.928 -1.555 1.00 73.54 C ATOM 866 CD1 LEU A 55 -5.256 -6.445 -0.315 1.00 1.32 C ATOM 867 CD2 LEU A 55 -5.066 -7.711 -2.476 1.00 70.32 C ATOM 0 H LEU A 55 -8.457 -6.143 -2.522 1.00 22.44 H new ATOM 0 HA LEU A 55 -7.522 -8.740 -3.078 1.00 33.13 H new ATOM 0 HB2 LEU A 55 -7.820 -7.224 -0.447 1.00 45.41 H new ATOM 0 HB3 LEU A 55 -6.862 -8.678 -0.649 1.00 45.41 H new ATOM 0 HG LEU A 55 -6.361 -6.053 -2.097 1.00 73.54 H new ATOM 0 HD11 LEU A 55 -4.400 -5.842 -0.617 1.00 1.32 H new ATOM 0 HD12 LEU A 55 -5.925 -5.843 0.300 1.00 1.32 H new ATOM 0 HD13 LEU A 55 -4.910 -7.304 0.259 1.00 1.32 H new ATOM 0 HD21 LEU A 55 -4.212 -7.088 -2.743 1.00 70.32 H new ATOM 0 HD22 LEU A 55 -4.716 -8.607 -1.963 1.00 70.32 H new ATOM 0 HD23 LEU A 55 -5.602 -7.998 -3.381 1.00 70.32 H new ATOM 879 N GLU A 56 -10.319 -8.651 -1.370 1.00 70.33 N ATOM 880 CA GLU A 56 -11.457 -9.466 -0.927 1.00 62.43 C ATOM 881 C GLU A 56 -12.252 -10.019 -2.123 1.00 10.55 C ATOM 882 O GLU A 56 -12.713 -11.162 -2.098 1.00 55.44 O ATOM 883 CB GLU A 56 -12.372 -8.640 -0.013 1.00 71.50 C ATOM 884 CG GLU A 56 -11.679 -8.145 1.255 1.00 60.03 C ATOM 885 CD GLU A 56 -12.555 -7.217 2.080 1.00 3.34 C ATOM 886 OE1 GLU A 56 -12.642 -6.017 1.746 1.00 31.14 O ATOM 887 OE2 GLU A 56 -13.166 -7.685 3.062 1.00 23.02 O ATOM 0 H GLU A 56 -10.470 -7.646 -1.286 1.00 70.33 H new ATOM 0 HA GLU A 56 -11.066 -10.316 -0.367 1.00 62.43 H new ATOM 0 HB2 GLU A 56 -12.750 -7.782 -0.570 1.00 71.50 H new ATOM 0 HB3 GLU A 56 -13.235 -9.244 0.266 1.00 71.50 H new ATOM 0 HG2 GLU A 56 -11.390 -9.002 1.864 1.00 60.03 H new ATOM 0 HG3 GLU A 56 -10.761 -7.624 0.982 1.00 60.03 H new ATOM 894 N ALA A 57 -12.413 -9.198 -3.164 1.00 73.03 N ATOM 895 CA ALA A 57 -13.101 -9.622 -4.391 1.00 62.01 C ATOM 896 C ALA A 57 -12.392 -10.816 -5.033 1.00 41.11 C ATOM 897 O ALA A 57 -13.027 -11.790 -5.440 1.00 32.53 O ATOM 898 CB ALA A 57 -13.180 -8.464 -5.381 1.00 13.42 C ATOM 0 H ALA A 57 -12.077 -8.235 -3.184 1.00 73.03 H new ATOM 0 HA ALA A 57 -14.112 -9.929 -4.123 1.00 62.01 H new ATOM 0 HB1 ALA A 57 -13.692 -8.793 -6.285 1.00 13.42 H new ATOM 0 HB2 ALA A 57 -13.731 -7.638 -4.932 1.00 13.42 H new ATOM 0 HB3 ALA A 57 -12.173 -8.133 -5.634 1.00 13.42 H new ATOM 904 N LYS A 58 -11.068 -10.729 -5.112 1.00 45.30 N ATOM 905 CA LYS A 58 -10.250 -11.827 -5.618 1.00 42.21 C ATOM 906 C LYS A 58 -10.122 -12.914 -4.536 1.00 34.53 C ATOM 907 O LYS A 58 -9.151 -12.952 -3.782 1.00 55.20 O ATOM 908 CB LYS A 58 -8.865 -11.298 -6.024 1.00 35.01 C ATOM 909 CG LYS A 58 -8.914 -10.036 -6.884 1.00 72.41 C ATOM 910 CD LYS A 58 -7.532 -9.403 -7.046 1.00 4.41 C ATOM 911 CE LYS A 58 -7.619 -7.969 -7.564 1.00 30.44 C ATOM 912 NZ LYS A 58 -8.302 -7.868 -8.882 1.00 62.04 N ATOM 0 H LYS A 58 -10.536 -9.905 -4.831 1.00 45.30 H new ATOM 0 HA LYS A 58 -10.724 -12.263 -6.497 1.00 42.21 H new ATOM 0 HB2 LYS A 58 -8.288 -11.090 -5.123 1.00 35.01 H new ATOM 0 HB3 LYS A 58 -8.334 -12.078 -6.570 1.00 35.01 H new ATOM 0 HG2 LYS A 58 -9.318 -10.281 -7.866 1.00 72.41 H new ATOM 0 HG3 LYS A 58 -9.593 -9.314 -6.431 1.00 72.41 H new ATOM 0 HD2 LYS A 58 -7.014 -9.412 -6.087 1.00 4.41 H new ATOM 0 HD3 LYS A 58 -6.937 -10.002 -7.735 1.00 4.41 H new ATOM 0 HE2 LYS A 58 -8.153 -7.357 -6.837 1.00 30.44 H new ATOM 0 HE3 LYS A 58 -6.613 -7.558 -7.650 1.00 30.44 H new ATOM 0 HZ1 LYS A 58 -8.574 -6.880 -9.057 1.00 62.04 H new ATOM 0 HZ2 LYS A 58 -7.657 -8.188 -9.633 1.00 62.04 H new ATOM 0 HZ3 LYS A 58 -9.153 -8.466 -8.879 1.00 62.04 H new ATOM 926 N HIS A 59 -11.123 -13.786 -4.454 1.00 72.35 N ATOM 927 CA HIS A 59 -11.220 -14.756 -3.356 1.00 14.24 C ATOM 928 C HIS A 59 -10.141 -15.852 -3.413 1.00 63.34 C ATOM 929 O HIS A 59 -10.022 -16.656 -2.486 1.00 14.53 O ATOM 930 CB HIS A 59 -12.623 -15.373 -3.321 1.00 50.53 C ATOM 931 CG HIS A 59 -13.688 -14.397 -2.911 1.00 24.45 C ATOM 932 ND1 HIS A 59 -14.373 -13.602 -3.806 1.00 12.23 N ATOM 933 CD2 HIS A 59 -14.181 -14.088 -1.688 1.00 41.22 C ATOM 934 CE1 HIS A 59 -15.238 -12.849 -3.153 1.00 4.54 C ATOM 935 NE2 HIS A 59 -15.143 -13.124 -1.869 1.00 1.11 N ATOM 0 H HIS A 59 -11.882 -13.844 -5.133 1.00 72.35 H new ATOM 0 HA HIS A 59 -11.041 -14.206 -2.432 1.00 14.24 H new ATOM 0 HB2 HIS A 59 -12.863 -15.770 -4.307 1.00 50.53 H new ATOM 0 HB3 HIS A 59 -12.625 -16.215 -2.629 1.00 50.53 H new ATOM 0 HD1 HIS A 59 -14.233 -13.597 -4.816 1.00 12.23 H new ATOM 0 HD2 HIS A 59 -13.875 -14.519 -0.746 1.00 41.22 H new ATOM 0 HE1 HIS A 59 -15.910 -12.129 -3.597 1.00 4.54 H new ATOM 944 N TRP A 60 -9.354 -15.884 -4.489 1.00 64.51 N ATOM 945 CA TRP A 60 -8.206 -16.799 -4.566 1.00 51.30 C ATOM 946 C TRP A 60 -7.031 -16.292 -3.700 1.00 63.11 C ATOM 947 O TRP A 60 -6.026 -16.983 -3.526 1.00 54.05 O ATOM 948 CB TRP A 60 -7.773 -17.018 -6.028 1.00 3.50 C ATOM 949 CG TRP A 60 -7.355 -15.772 -6.762 1.00 70.13 C ATOM 950 CD1 TRP A 60 -8.175 -14.820 -7.303 1.00 20.41 C ATOM 951 CD2 TRP A 60 -6.013 -15.360 -7.058 1.00 55.13 C ATOM 952 NE1 TRP A 60 -7.425 -13.839 -7.905 1.00 73.14 N ATOM 953 CE2 TRP A 60 -6.096 -14.147 -7.769 1.00 4.11 C ATOM 954 CE3 TRP A 60 -4.749 -15.895 -6.785 1.00 33.11 C ATOM 955 CZ2 TRP A 60 -4.966 -13.464 -8.213 1.00 10.41 C ATOM 956 CZ3 TRP A 60 -3.628 -15.217 -7.227 1.00 45.35 C ATOM 957 CH2 TRP A 60 -3.742 -14.012 -7.932 1.00 74.13 C ATOM 0 H TRP A 60 -9.485 -15.296 -5.312 1.00 64.51 H new ATOM 0 HA TRP A 60 -8.517 -17.764 -4.165 1.00 51.30 H new ATOM 0 HB2 TRP A 60 -6.944 -17.726 -6.043 1.00 3.50 H new ATOM 0 HB3 TRP A 60 -8.598 -17.481 -6.570 1.00 3.50 H new ATOM 0 HD1 TRP A 60 -9.254 -14.837 -7.263 1.00 20.41 H new ATOM 0 HE1 TRP A 60 -7.797 -13.015 -8.377 1.00 73.14 H new ATOM 0 HE3 TRP A 60 -4.651 -16.821 -6.239 1.00 33.11 H new ATOM 0 HZ2 TRP A 60 -5.052 -12.536 -8.759 1.00 10.41 H new ATOM 0 HZ3 TRP A 60 -2.648 -15.623 -7.025 1.00 45.35 H new ATOM 0 HH2 TRP A 60 -2.847 -13.505 -8.261 1.00 74.13 H new ATOM 968 N ILE A 61 -7.174 -15.076 -3.163 1.00 72.14 N ATOM 969 CA ILE A 61 -6.234 -14.530 -2.175 1.00 23.22 C ATOM 970 C ILE A 61 -6.538 -15.102 -0.781 1.00 63.10 C ATOM 971 O ILE A 61 -7.671 -15.021 -0.301 1.00 2.32 O ATOM 972 CB ILE A 61 -6.306 -12.970 -2.117 1.00 25.12 C ATOM 973 CG1 ILE A 61 -5.591 -12.318 -3.317 1.00 63.01 C ATOM 974 CG2 ILE A 61 -5.710 -12.440 -0.810 1.00 3.41 C ATOM 975 CD1 ILE A 61 -6.080 -12.777 -4.671 1.00 2.12 C ATOM 0 H ILE A 61 -7.940 -14.445 -3.398 1.00 72.14 H new ATOM 0 HA ILE A 61 -5.229 -14.819 -2.484 1.00 23.22 H new ATOM 0 HB ILE A 61 -7.361 -12.701 -2.162 1.00 25.12 H new ATOM 0 HG12 ILE A 61 -5.711 -11.237 -3.250 1.00 63.01 H new ATOM 0 HG13 ILE A 61 -4.523 -12.525 -3.242 1.00 63.01 H new ATOM 0 HG21 ILE A 61 -5.773 -11.352 -0.796 1.00 3.41 H new ATOM 0 HG22 ILE A 61 -6.266 -12.846 0.035 1.00 3.41 H new ATOM 0 HG23 ILE A 61 -4.666 -12.744 -0.737 1.00 3.41 H new ATOM 0 HD11 ILE A 61 -5.519 -12.265 -5.453 1.00 2.12 H new ATOM 0 HD12 ILE A 61 -5.934 -13.853 -4.765 1.00 2.12 H new ATOM 0 HD13 ILE A 61 -7.140 -12.545 -4.773 1.00 2.12 H new ATOM 987 N ALA A 62 -5.530 -15.684 -0.137 1.00 33.10 N ATOM 988 CA ALA A 62 -5.696 -16.222 1.217 1.00 65.13 C ATOM 989 C ALA A 62 -5.795 -15.096 2.261 1.00 64.34 C ATOM 990 O ALA A 62 -5.341 -13.971 2.027 1.00 74.13 O ATOM 991 CB ALA A 62 -4.553 -17.172 1.550 1.00 52.05 C ATOM 0 H ALA A 62 -4.593 -15.797 -0.525 1.00 33.10 H new ATOM 0 HA ALA A 62 -6.633 -16.779 1.248 1.00 65.13 H new ATOM 0 HB1 ALA A 62 -4.688 -17.565 2.558 1.00 52.05 H new ATOM 0 HB2 ALA A 62 -4.546 -17.997 0.837 1.00 52.05 H new ATOM 0 HB3 ALA A 62 -3.606 -16.636 1.493 1.00 52.05 H new ATOM 997 N GLU A 63 -6.386 -15.405 3.417 1.00 74.21 N ATOM 998 CA GLU A 63 -6.645 -14.397 4.451 1.00 35.13 C ATOM 999 C GLU A 63 -5.355 -13.708 4.920 1.00 24.14 C ATOM 1000 O GLU A 63 -5.219 -12.492 4.800 1.00 53.32 O ATOM 1001 CB GLU A 63 -7.356 -15.032 5.652 1.00 3.45 C ATOM 1002 CG GLU A 63 -7.825 -14.023 6.693 1.00 34.32 C ATOM 1003 CD GLU A 63 -8.441 -14.683 7.914 1.00 35.40 C ATOM 1004 OE1 GLU A 63 -9.557 -15.235 7.802 1.00 3.22 O ATOM 1005 OE2 GLU A 63 -7.808 -14.669 8.991 1.00 61.30 O ATOM 0 H GLU A 63 -6.695 -16.346 3.662 1.00 74.21 H new ATOM 0 HA GLU A 63 -7.288 -13.638 4.005 1.00 35.13 H new ATOM 0 HB2 GLU A 63 -8.216 -15.598 5.295 1.00 3.45 H new ATOM 0 HB3 GLU A 63 -6.681 -15.743 6.128 1.00 3.45 H new ATOM 0 HG2 GLU A 63 -6.980 -13.409 7.005 1.00 34.32 H new ATOM 0 HG3 GLU A 63 -8.556 -13.353 6.240 1.00 34.32 H new ATOM 1012 N ALA A 64 -4.408 -14.491 5.437 1.00 44.32 N ATOM 1013 CA ALA A 64 -3.157 -13.941 5.974 1.00 15.12 C ATOM 1014 C ALA A 64 -2.433 -13.037 4.959 1.00 2.30 C ATOM 1015 O ALA A 64 -1.847 -12.020 5.335 1.00 21.45 O ATOM 1016 CB ALA A 64 -2.235 -15.062 6.442 1.00 5.55 C ATOM 0 H ALA A 64 -4.480 -15.507 5.497 1.00 44.32 H new ATOM 0 HA ALA A 64 -3.422 -13.319 6.829 1.00 15.12 H new ATOM 0 HB1 ALA A 64 -1.313 -14.634 6.837 1.00 5.55 H new ATOM 0 HB2 ALA A 64 -2.731 -15.639 7.223 1.00 5.55 H new ATOM 0 HB3 ALA A 64 -2.001 -15.715 5.602 1.00 5.55 H new ATOM 1022 N ASP A 65 -2.483 -13.405 3.675 1.00 13.44 N ATOM 1023 CA ASP A 65 -1.866 -12.597 2.615 1.00 54.41 C ATOM 1024 C ASP A 65 -2.502 -11.199 2.510 1.00 34.41 C ATOM 1025 O ASP A 65 -1.792 -10.190 2.524 1.00 13.02 O ATOM 1026 CB ASP A 65 -1.958 -13.316 1.266 1.00 74.32 C ATOM 1027 CG ASP A 65 -1.062 -14.540 1.206 1.00 25.44 C ATOM 1028 OD1 ASP A 65 0.172 -14.371 1.118 1.00 63.02 O ATOM 1029 OD2 ASP A 65 -1.582 -15.671 1.265 1.00 3.15 O ATOM 0 H ASP A 65 -2.942 -14.254 3.344 1.00 13.44 H new ATOM 0 HA ASP A 65 -0.817 -12.466 2.882 1.00 54.41 H new ATOM 0 HB2 ASP A 65 -2.991 -13.615 1.085 1.00 74.32 H new ATOM 0 HB3 ASP A 65 -1.681 -12.626 0.469 1.00 74.32 H new ATOM 1034 N ARG A 66 -3.834 -11.133 2.410 1.00 23.22 N ATOM 1035 CA ARG A 66 -4.517 -9.835 2.320 1.00 3.24 C ATOM 1036 C ARG A 66 -4.404 -9.053 3.637 1.00 64.02 C ATOM 1037 O ARG A 66 -4.224 -7.839 3.629 1.00 24.22 O ATOM 1038 CB ARG A 66 -5.993 -9.988 1.906 1.00 43.14 C ATOM 1039 CG ARG A 66 -6.850 -10.804 2.869 1.00 34.43 C ATOM 1040 CD ARG A 66 -8.329 -10.762 2.490 1.00 60.13 C ATOM 1041 NE ARG A 66 -8.570 -11.228 1.122 1.00 22.20 N ATOM 1042 CZ ARG A 66 -9.286 -12.276 0.817 1.00 34.34 C ATOM 1043 NH1 ARG A 66 -9.843 -12.989 1.740 1.00 74.13 N ATOM 1044 NH2 ARG A 66 -9.463 -12.600 -0.421 1.00 32.34 N ATOM 0 H ARG A 66 -4.452 -11.945 2.389 1.00 23.22 H new ATOM 0 HA ARG A 66 -4.013 -9.266 1.539 1.00 3.24 H new ATOM 0 HB2 ARG A 66 -6.431 -8.995 1.805 1.00 43.14 H new ATOM 0 HB3 ARG A 66 -6.032 -10.456 0.922 1.00 43.14 H new ATOM 0 HG2 ARG A 66 -6.506 -11.838 2.874 1.00 34.43 H new ATOM 0 HG3 ARG A 66 -6.724 -10.421 3.882 1.00 34.43 H new ATOM 0 HD2 ARG A 66 -8.897 -11.379 3.186 1.00 60.13 H new ATOM 0 HD3 ARG A 66 -8.699 -9.742 2.594 1.00 60.13 H new ATOM 0 HE ARG A 66 -8.151 -10.699 0.358 1.00 22.20 H new ATOM 0 HH11 ARG A 66 -9.726 -12.735 2.721 1.00 74.13 H new ATOM 0 HH12 ARG A 66 -10.400 -13.805 1.487 1.00 74.13 H new ATOM 0 HH21 ARG A 66 -9.043 -12.037 -1.161 1.00 32.34 H new ATOM 0 HH22 ARG A 66 -10.023 -13.419 -0.659 1.00 32.34 H new ATOM 1058 N ILE A 67 -4.483 -9.753 4.767 1.00 50.13 N ATOM 1059 CA ILE A 67 -4.341 -9.116 6.081 1.00 52.44 C ATOM 1060 C ILE A 67 -2.963 -8.448 6.223 1.00 41.32 C ATOM 1061 O ILE A 67 -2.865 -7.285 6.607 1.00 11.41 O ATOM 1062 CB ILE A 67 -4.550 -10.135 7.237 1.00 21.34 C ATOM 1063 CG1 ILE A 67 -5.980 -10.708 7.204 1.00 62.42 C ATOM 1064 CG2 ILE A 67 -4.262 -9.497 8.596 1.00 73.42 C ATOM 1065 CD1 ILE A 67 -7.071 -9.668 7.382 1.00 63.24 C ATOM 0 H ILE A 67 -4.644 -10.760 4.803 1.00 50.13 H new ATOM 0 HA ILE A 67 -5.116 -8.353 6.151 1.00 52.44 H new ATOM 0 HB ILE A 67 -3.844 -10.953 7.092 1.00 21.34 H new ATOM 0 HG12 ILE A 67 -6.133 -11.219 6.254 1.00 62.42 H new ATOM 0 HG13 ILE A 67 -6.077 -11.458 7.989 1.00 62.42 H new ATOM 0 HG21 ILE A 67 -4.417 -10.234 9.384 1.00 73.42 H new ATOM 0 HG22 ILE A 67 -3.230 -9.148 8.623 1.00 73.42 H new ATOM 0 HG23 ILE A 67 -4.934 -8.653 8.751 1.00 73.42 H new ATOM 0 HD11 ILE A 67 -8.046 -10.154 7.346 1.00 63.24 H new ATOM 0 HD12 ILE A 67 -6.948 -9.172 8.345 1.00 63.24 H new ATOM 0 HD13 ILE A 67 -7.004 -8.930 6.583 1.00 63.24 H new ATOM 1077 N ASN A 68 -1.903 -9.184 5.881 1.00 21.55 N ATOM 1078 CA ASN A 68 -0.535 -8.663 5.979 1.00 14.41 C ATOM 1079 C ASN A 68 -0.339 -7.401 5.123 1.00 1.15 C ATOM 1080 O ASN A 68 0.107 -6.366 5.628 1.00 13.01 O ATOM 1081 CB ASN A 68 0.482 -9.741 5.576 1.00 43.40 C ATOM 1082 CG ASN A 68 1.913 -9.229 5.613 1.00 63.30 C ATOM 1083 OD1 ASN A 68 2.561 -9.222 6.657 1.00 71.34 O ATOM 1084 ND2 ASN A 68 2.427 -8.811 4.472 1.00 12.03 N ATOM 0 H ASN A 68 -1.964 -10.141 5.534 1.00 21.55 H new ATOM 0 HA ASN A 68 -0.367 -8.386 7.020 1.00 14.41 H new ATOM 0 HB2 ASN A 68 0.387 -10.595 6.246 1.00 43.40 H new ATOM 0 HB3 ASN A 68 0.252 -10.097 4.572 1.00 43.40 H new ATOM 0 HD21 ASN A 68 3.388 -8.470 4.440 1.00 12.03 H new ATOM 0 HD22 ASN A 68 1.864 -8.829 3.622 1.00 12.03 H new ATOM 1091 N VAL A 69 -0.676 -7.482 3.835 1.00 50.02 N ATOM 1092 CA VAL A 69 -0.510 -6.337 2.932 1.00 21.33 C ATOM 1093 C VAL A 69 -1.413 -5.153 3.335 1.00 14.13 C ATOM 1094 O VAL A 69 -1.012 -3.997 3.218 1.00 44.33 O ATOM 1095 CB VAL A 69 -0.762 -6.716 1.448 1.00 24.10 C ATOM 1096 CG1 VAL A 69 0.244 -7.766 0.971 1.00 14.44 C ATOM 1097 CG2 VAL A 69 -2.191 -7.206 1.242 1.00 63.43 C ATOM 0 H VAL A 69 -1.062 -8.318 3.395 1.00 50.02 H new ATOM 0 HA VAL A 69 0.530 -6.027 3.028 1.00 21.33 H new ATOM 0 HB VAL A 69 -0.623 -5.817 0.848 1.00 24.10 H new ATOM 0 HG11 VAL A 69 0.045 -8.013 -0.072 1.00 14.44 H new ATOM 0 HG12 VAL A 69 1.255 -7.369 1.063 1.00 14.44 H new ATOM 0 HG13 VAL A 69 0.150 -8.664 1.581 1.00 14.44 H new ATOM 0 HG21 VAL A 69 -2.339 -7.464 0.194 1.00 63.43 H new ATOM 0 HG22 VAL A 69 -2.367 -8.086 1.861 1.00 63.43 H new ATOM 0 HG23 VAL A 69 -2.890 -6.419 1.524 1.00 63.43 H new ATOM 1107 N LEU A 70 -2.621 -5.439 3.829 1.00 32.11 N ATOM 1108 CA LEU A 70 -3.522 -4.385 4.319 1.00 5.05 C ATOM 1109 C LEU A 70 -2.973 -3.723 5.592 1.00 31.12 C ATOM 1110 O LEU A 70 -3.086 -2.506 5.765 1.00 64.04 O ATOM 1111 CB LEU A 70 -4.931 -4.939 4.579 1.00 32.43 C ATOM 1112 CG LEU A 70 -5.747 -5.279 3.320 1.00 54.33 C ATOM 1113 CD1 LEU A 70 -7.099 -5.876 3.701 1.00 54.14 C ATOM 1114 CD2 LEU A 70 -5.930 -4.042 2.441 1.00 2.34 C ATOM 0 H LEU A 70 -2.998 -6.384 3.901 1.00 32.11 H new ATOM 0 HA LEU A 70 -3.584 -3.626 3.539 1.00 5.05 H new ATOM 0 HB2 LEU A 70 -4.843 -5.838 5.189 1.00 32.43 H new ATOM 0 HB3 LEU A 70 -5.488 -4.209 5.166 1.00 32.43 H new ATOM 0 HG LEU A 70 -5.194 -6.023 2.746 1.00 54.33 H new ATOM 0 HD11 LEU A 70 -7.661 -6.110 2.797 1.00 54.14 H new ATOM 0 HD12 LEU A 70 -6.945 -6.788 4.278 1.00 54.14 H new ATOM 0 HD13 LEU A 70 -7.658 -5.157 4.300 1.00 54.14 H new ATOM 0 HD21 LEU A 70 -6.510 -4.307 1.557 1.00 2.34 H new ATOM 0 HD22 LEU A 70 -6.457 -3.271 3.003 1.00 2.34 H new ATOM 0 HD23 LEU A 70 -4.954 -3.665 2.135 1.00 2.34 H new ATOM 1126 N ASN A 71 -2.381 -4.523 6.480 1.00 11.32 N ATOM 1127 CA ASN A 71 -1.781 -3.997 7.713 1.00 72.24 C ATOM 1128 C ASN A 71 -0.613 -3.051 7.406 1.00 52.44 C ATOM 1129 O ASN A 71 -0.596 -1.906 7.858 1.00 15.14 O ATOM 1130 CB ASN A 71 -1.292 -5.138 8.616 1.00 21.51 C ATOM 1131 CG ASN A 71 -2.425 -5.936 9.232 1.00 61.35 C ATOM 1132 OD1 ASN A 71 -3.515 -5.425 9.459 1.00 2.22 O ATOM 1133 ND2 ASN A 71 -2.170 -7.195 9.523 1.00 31.41 N ATOM 0 H ASN A 71 -2.303 -5.534 6.372 1.00 11.32 H new ATOM 0 HA ASN A 71 -2.557 -3.437 8.235 1.00 72.24 H new ATOM 0 HB2 ASN A 71 -0.658 -5.807 8.034 1.00 21.51 H new ATOM 0 HB3 ASN A 71 -0.673 -4.724 9.412 1.00 21.51 H new ATOM 0 HD21 ASN A 71 -2.891 -7.776 9.951 1.00 31.41 H new ATOM 0 HD22 ASN A 71 -1.251 -7.589 9.321 1.00 31.41 H new ATOM 1140 N GLN A 72 0.352 -3.523 6.616 1.00 53.21 N ATOM 1141 CA GLN A 72 1.514 -2.703 6.259 1.00 53.32 C ATOM 1142 C GLN A 72 1.100 -1.489 5.409 1.00 71.10 C ATOM 1143 O GLN A 72 1.688 -0.413 5.528 1.00 53.04 O ATOM 1144 CB GLN A 72 2.578 -3.546 5.534 1.00 25.22 C ATOM 1145 CG GLN A 72 2.091 -4.200 4.246 1.00 53.20 C ATOM 1146 CD GLN A 72 3.143 -5.077 3.578 1.00 14.51 C ATOM 1147 OE1 GLN A 72 3.175 -5.209 2.361 1.00 62.24 O ATOM 1148 NE2 GLN A 72 3.998 -5.701 4.365 1.00 60.03 N ATOM 0 H GLN A 72 0.355 -4.460 6.213 1.00 53.21 H new ATOM 0 HA GLN A 72 1.952 -2.326 7.183 1.00 53.32 H new ATOM 0 HB2 GLN A 72 3.433 -2.910 5.304 1.00 25.22 H new ATOM 0 HB3 GLN A 72 2.932 -4.324 6.211 1.00 25.22 H new ATOM 0 HG2 GLN A 72 1.210 -4.804 4.464 1.00 53.20 H new ATOM 0 HG3 GLN A 72 1.780 -3.423 3.548 1.00 53.20 H new ATOM 0 HE21 GLN A 72 3.948 -5.573 5.376 1.00 60.03 H new ATOM 0 HE22 GLN A 72 4.709 -6.312 3.963 1.00 60.03 H new ATOM 1157 N ALA A 73 0.076 -1.662 4.570 1.00 21.31 N ATOM 1158 CA ALA A 73 -0.494 -0.546 3.803 1.00 61.23 C ATOM 1159 C ALA A 73 -1.038 0.537 4.742 1.00 51.35 C ATOM 1160 O ALA A 73 -0.762 1.726 4.567 1.00 62.40 O ATOM 1161 CB ALA A 73 -1.596 -1.045 2.870 1.00 2.10 C ATOM 0 H ALA A 73 -0.376 -2.561 4.403 1.00 21.31 H new ATOM 0 HA ALA A 73 0.300 -0.108 3.199 1.00 61.23 H new ATOM 0 HB1 ALA A 73 -2.007 -0.205 2.310 1.00 2.10 H new ATOM 0 HB2 ALA A 73 -1.182 -1.776 2.176 1.00 2.10 H new ATOM 0 HB3 ALA A 73 -2.387 -1.511 3.458 1.00 2.10 H new ATOM 1167 N THR A 74 -1.802 0.113 5.750 1.00 51.15 N ATOM 1168 CA THR A 74 -2.328 1.035 6.768 1.00 42.51 C ATOM 1169 C THR A 74 -1.182 1.752 7.489 1.00 70.25 C ATOM 1170 O THR A 74 -1.242 2.957 7.732 1.00 70.22 O ATOM 1171 CB THR A 74 -3.200 0.305 7.823 1.00 13.32 C ATOM 1172 OG1 THR A 74 -4.292 -0.376 7.184 1.00 55.02 O ATOM 1173 CG2 THR A 74 -3.750 1.283 8.860 1.00 65.52 C ATOM 0 H THR A 74 -2.072 -0.861 5.887 1.00 51.15 H new ATOM 0 HA THR A 74 -2.952 1.757 6.242 1.00 42.51 H new ATOM 0 HB THR A 74 -2.565 -0.420 8.331 1.00 13.32 H new ATOM 0 HG1 THR A 74 -3.946 -1.124 6.654 1.00 55.02 H new ATOM 0 HG21 THR A 74 -4.357 0.741 9.585 1.00 65.52 H new ATOM 0 HG22 THR A 74 -2.922 1.773 9.373 1.00 65.52 H new ATOM 0 HG23 THR A 74 -4.364 2.034 8.362 1.00 65.52 H new ATOM 1181 N GLU A 75 -0.134 0.999 7.821 1.00 44.11 N ATOM 1182 CA GLU A 75 1.059 1.565 8.458 1.00 62.33 C ATOM 1183 C GLU A 75 1.695 2.665 7.592 1.00 2.25 C ATOM 1184 O GLU A 75 2.139 3.692 8.109 1.00 21.44 O ATOM 1185 CB GLU A 75 2.087 0.464 8.743 1.00 20.32 C ATOM 1186 CG GLU A 75 1.618 -0.572 9.760 1.00 35.32 C ATOM 1187 CD GLU A 75 2.690 -1.603 10.086 1.00 53.00 C ATOM 1188 OE1 GLU A 75 3.687 -1.235 10.744 1.00 34.10 O ATOM 1189 OE2 GLU A 75 2.541 -2.783 9.690 1.00 74.34 O ATOM 0 H GLU A 75 -0.085 -0.007 7.660 1.00 44.11 H new ATOM 0 HA GLU A 75 0.745 2.016 9.399 1.00 62.33 H new ATOM 0 HB2 GLU A 75 2.331 -0.043 7.809 1.00 20.32 H new ATOM 0 HB3 GLU A 75 3.006 0.924 9.105 1.00 20.32 H new ATOM 0 HG2 GLU A 75 1.317 -0.065 10.677 1.00 35.32 H new ATOM 0 HG3 GLU A 75 0.736 -1.081 9.373 1.00 35.32 H new ATOM 1196 N VAL A 76 1.740 2.443 6.276 1.00 4.13 N ATOM 1197 CA VAL A 76 2.258 3.451 5.339 1.00 54.13 C ATOM 1198 C VAL A 76 1.363 4.703 5.312 1.00 62.04 C ATOM 1199 O VAL A 76 1.859 5.830 5.285 1.00 30.02 O ATOM 1200 CB VAL A 76 2.396 2.884 3.899 1.00 24.34 C ATOM 1201 CG1 VAL A 76 2.880 3.965 2.929 1.00 23.04 C ATOM 1202 CG2 VAL A 76 3.342 1.682 3.876 1.00 21.00 C ATOM 0 H VAL A 76 1.426 1.579 5.834 1.00 4.13 H new ATOM 0 HA VAL A 76 3.249 3.729 5.699 1.00 54.13 H new ATOM 0 HB VAL A 76 1.410 2.551 3.575 1.00 24.34 H new ATOM 0 HG11 VAL A 76 2.968 3.543 1.928 1.00 23.04 H new ATOM 0 HG12 VAL A 76 2.165 4.787 2.914 1.00 23.04 H new ATOM 0 HG13 VAL A 76 3.852 4.336 3.253 1.00 23.04 H new ATOM 0 HG21 VAL A 76 3.423 1.302 2.858 1.00 21.00 H new ATOM 0 HG22 VAL A 76 4.327 1.987 4.229 1.00 21.00 H new ATOM 0 HG23 VAL A 76 2.951 0.899 4.525 1.00 21.00 H new ATOM 1212 N ILE A 77 0.045 4.498 5.326 1.00 42.01 N ATOM 1213 CA ILE A 77 -0.913 5.612 5.372 1.00 11.52 C ATOM 1214 C ILE A 77 -0.753 6.436 6.665 1.00 41.00 C ATOM 1215 O ILE A 77 -0.678 7.667 6.624 1.00 50.34 O ATOM 1216 CB ILE A 77 -2.376 5.106 5.259 1.00 63.14 C ATOM 1217 CG1 ILE A 77 -2.587 4.365 3.923 1.00 40.14 C ATOM 1218 CG2 ILE A 77 -3.364 6.269 5.395 1.00 11.22 C ATOM 1219 CD1 ILE A 77 -3.983 3.801 3.749 1.00 3.25 C ATOM 0 H ILE A 77 -0.386 3.574 5.306 1.00 42.01 H new ATOM 0 HA ILE A 77 -0.695 6.252 4.517 1.00 11.52 H new ATOM 0 HB ILE A 77 -2.562 4.407 6.074 1.00 63.14 H new ATOM 0 HG12 ILE A 77 -2.377 5.050 3.101 1.00 40.14 H new ATOM 0 HG13 ILE A 77 -1.865 3.551 3.852 1.00 40.14 H new ATOM 0 HG21 ILE A 77 -4.383 5.892 5.313 1.00 11.22 H new ATOM 0 HG22 ILE A 77 -3.231 6.748 6.365 1.00 11.22 H new ATOM 0 HG23 ILE A 77 -3.181 6.996 4.604 1.00 11.22 H new ATOM 0 HD11 ILE A 77 -4.054 3.295 2.786 1.00 3.25 H new ATOM 0 HD12 ILE A 77 -4.190 3.090 4.549 1.00 3.25 H new ATOM 0 HD13 ILE A 77 -4.710 4.612 3.787 1.00 3.25 H new ATOM 1231 N ASN A 78 -0.697 5.747 7.806 1.00 50.33 N ATOM 1232 CA ASN A 78 -0.467 6.402 9.102 1.00 40.22 C ATOM 1233 C ASN A 78 0.893 7.117 9.125 1.00 31.35 C ATOM 1234 O ASN A 78 1.021 8.216 9.669 1.00 34.15 O ATOM 1235 CB ASN A 78 -0.533 5.375 10.242 1.00 71.24 C ATOM 1236 CG ASN A 78 -1.898 4.723 10.370 1.00 34.44 C ATOM 1237 OD1 ASN A 78 -2.919 5.314 10.036 1.00 0.15 O ATOM 1238 ND2 ASN A 78 -1.929 3.506 10.869 1.00 62.24 N ATOM 0 H ASN A 78 -0.807 4.735 7.863 1.00 50.33 H new ATOM 0 HA ASN A 78 -1.252 7.145 9.244 1.00 40.22 H new ATOM 0 HB2 ASN A 78 0.218 4.604 10.074 1.00 71.24 H new ATOM 0 HB3 ASN A 78 -0.281 5.866 11.182 1.00 71.24 H new ATOM 0 HD21 ASN A 78 -2.821 3.026 10.988 1.00 62.24 H new ATOM 0 HD22 ASN A 78 -1.061 3.042 11.137 1.00 62.24 H new ATOM 1245 N PHE A 79 1.900 6.476 8.535 1.00 14.24 N ATOM 1246 CA PHE A 79 3.240 7.060 8.399 1.00 11.21 C ATOM 1247 C PHE A 79 3.188 8.374 7.604 1.00 14.52 C ATOM 1248 O PHE A 79 3.628 9.420 8.078 1.00 12.01 O ATOM 1249 CB PHE A 79 4.165 6.046 7.705 1.00 53.31 C ATOM 1250 CG PHE A 79 5.564 6.542 7.431 1.00 73.42 C ATOM 1251 CD1 PHE A 79 6.430 6.836 8.476 1.00 33.21 C ATOM 1252 CD2 PHE A 79 6.017 6.702 6.129 1.00 22.32 C ATOM 1253 CE1 PHE A 79 7.714 7.281 8.227 1.00 71.31 C ATOM 1254 CE2 PHE A 79 7.303 7.144 5.877 1.00 5.12 C ATOM 1255 CZ PHE A 79 8.152 7.433 6.927 1.00 13.30 C ATOM 0 H PHE A 79 1.814 5.540 8.138 1.00 14.24 H new ATOM 0 HA PHE A 79 3.631 7.289 9.391 1.00 11.21 H new ATOM 0 HB2 PHE A 79 4.228 5.151 8.324 1.00 53.31 H new ATOM 0 HB3 PHE A 79 3.710 5.749 6.760 1.00 53.31 H new ATOM 0 HD1 PHE A 79 6.096 6.715 9.496 1.00 33.21 H new ATOM 0 HD2 PHE A 79 5.358 6.479 5.303 1.00 22.32 H new ATOM 0 HE1 PHE A 79 8.375 7.510 9.050 1.00 71.31 H new ATOM 0 HE2 PHE A 79 7.643 7.263 4.859 1.00 5.12 H new ATOM 0 HZ PHE A 79 9.157 7.777 6.731 1.00 13.30 H new ATOM 1265 N TRP A 80 2.626 8.305 6.399 1.00 25.14 N ATOM 1266 CA TRP A 80 2.453 9.483 5.539 1.00 14.30 C ATOM 1267 C TRP A 80 1.696 10.605 6.271 1.00 22.11 C ATOM 1268 O TRP A 80 2.111 11.768 6.258 1.00 75.35 O ATOM 1269 CB TRP A 80 1.692 9.079 4.266 1.00 0.31 C ATOM 1270 CG TRP A 80 1.396 10.223 3.341 1.00 0.13 C ATOM 1271 CD1 TRP A 80 2.192 10.698 2.338 1.00 52.53 C ATOM 1272 CD2 TRP A 80 0.214 11.036 3.331 1.00 61.43 C ATOM 1273 NE1 TRP A 80 1.580 11.752 1.708 1.00 21.11 N ATOM 1274 CE2 TRP A 80 0.366 11.980 2.301 1.00 10.12 C ATOM 1275 CE3 TRP A 80 -0.957 11.056 4.097 1.00 70.50 C ATOM 1276 CZ2 TRP A 80 -0.608 12.929 2.015 1.00 23.21 C ATOM 1277 CZ3 TRP A 80 -1.923 12.002 3.813 1.00 42.15 C ATOM 1278 CH2 TRP A 80 -1.742 12.927 2.779 1.00 33.11 C ATOM 0 H TRP A 80 2.278 7.438 5.989 1.00 25.14 H new ATOM 0 HA TRP A 80 3.439 9.864 5.274 1.00 14.30 H new ATOM 0 HB2 TRP A 80 2.276 8.332 3.728 1.00 0.31 H new ATOM 0 HB3 TRP A 80 0.753 8.604 4.552 1.00 0.31 H new ATOM 0 HD1 TRP A 80 3.162 10.301 2.078 1.00 52.53 H new ATOM 0 HE1 TRP A 80 1.966 12.280 0.925 1.00 21.11 H new ATOM 0 HE3 TRP A 80 -1.103 10.344 4.896 1.00 70.50 H new ATOM 0 HZ2 TRP A 80 -0.474 13.644 1.217 1.00 23.21 H new ATOM 0 HZ3 TRP A 80 -2.831 12.028 4.397 1.00 42.15 H new ATOM 0 HH2 TRP A 80 -2.515 13.655 2.580 1.00 33.11 H new ATOM 1289 N GLN A 81 0.585 10.239 6.908 1.00 75.41 N ATOM 1290 CA GLN A 81 -0.237 11.195 7.655 1.00 40.51 C ATOM 1291 C GLN A 81 0.567 11.844 8.794 1.00 21.20 C ATOM 1292 O GLN A 81 0.515 13.059 8.993 1.00 11.12 O ATOM 1293 CB GLN A 81 -1.487 10.492 8.218 1.00 41.32 C ATOM 1294 CG GLN A 81 -2.507 11.444 8.836 1.00 33.40 C ATOM 1295 CD GLN A 81 -3.149 12.365 7.811 1.00 34.11 C ATOM 1296 OE1 GLN A 81 -2.652 13.448 7.526 1.00 4.45 O ATOM 1297 NE2 GLN A 81 -4.267 11.944 7.259 1.00 72.51 N ATOM 0 H GLN A 81 0.230 9.283 6.923 1.00 75.41 H new ATOM 0 HA GLN A 81 -0.550 11.983 6.970 1.00 40.51 H new ATOM 0 HB2 GLN A 81 -1.968 9.931 7.417 1.00 41.32 H new ATOM 0 HB3 GLN A 81 -1.176 9.769 8.972 1.00 41.32 H new ATOM 0 HG2 GLN A 81 -3.284 10.864 9.334 1.00 33.40 H new ATOM 0 HG3 GLN A 81 -2.018 12.045 9.603 1.00 33.40 H new ATOM 0 HE21 GLN A 81 -4.654 11.037 7.519 1.00 72.51 H new ATOM 0 HE22 GLN A 81 -4.747 12.525 6.571 1.00 72.51 H new ATOM 1306 N ASP A 82 1.327 11.024 9.519 1.00 21.04 N ATOM 1307 CA ASP A 82 2.158 11.505 10.627 1.00 33.20 C ATOM 1308 C ASP A 82 3.196 12.531 10.140 1.00 65.40 C ATOM 1309 O ASP A 82 3.433 13.554 10.791 1.00 14.13 O ATOM 1310 CB ASP A 82 2.860 10.322 11.302 1.00 73.23 C ATOM 1311 CG ASP A 82 3.677 10.742 12.509 1.00 63.24 C ATOM 1312 OD1 ASP A 82 3.090 10.934 13.594 1.00 21.34 O ATOM 1313 OD2 ASP A 82 4.906 10.886 12.376 1.00 15.22 O ATOM 0 H ASP A 82 1.386 10.018 9.359 1.00 21.04 H new ATOM 0 HA ASP A 82 1.510 12.001 11.350 1.00 33.20 H new ATOM 0 HB2 ASP A 82 2.114 9.589 11.610 1.00 73.23 H new ATOM 0 HB3 ASP A 82 3.512 9.830 10.580 1.00 73.23 H new ATOM 1318 N LEU A 83 3.806 12.253 8.988 1.00 65.31 N ATOM 1319 CA LEU A 83 4.764 13.178 8.375 1.00 31.23 C ATOM 1320 C LEU A 83 4.091 14.510 8.030 1.00 61.43 C ATOM 1321 O LEU A 83 4.645 15.581 8.280 1.00 31.11 O ATOM 1322 CB LEU A 83 5.367 12.565 7.106 1.00 35.40 C ATOM 1323 CG LEU A 83 6.054 11.204 7.296 1.00 61.41 C ATOM 1324 CD1 LEU A 83 6.629 10.707 5.973 1.00 14.14 C ATOM 1325 CD2 LEU A 83 7.136 11.283 8.372 1.00 42.31 C ATOM 0 H LEU A 83 3.655 11.394 8.459 1.00 65.31 H new ATOM 0 HA LEU A 83 5.560 13.361 9.097 1.00 31.23 H new ATOM 0 HB2 LEU A 83 4.576 12.453 6.365 1.00 35.40 H new ATOM 0 HB3 LEU A 83 6.093 13.266 6.694 1.00 35.40 H new ATOM 0 HG LEU A 83 5.306 10.486 7.632 1.00 61.41 H new ATOM 0 HD11 LEU A 83 7.112 9.742 6.126 1.00 14.14 H new ATOM 0 HD12 LEU A 83 5.825 10.599 5.245 1.00 14.14 H new ATOM 0 HD13 LEU A 83 7.361 11.424 5.602 1.00 14.14 H new ATOM 0 HD21 LEU A 83 7.607 10.307 8.487 1.00 42.31 H new ATOM 0 HD22 LEU A 83 7.888 12.016 8.079 1.00 42.31 H new ATOM 0 HD23 LEU A 83 6.687 11.583 9.319 1.00 42.31 H new ATOM 1337 N LYS A 84 2.889 14.428 7.461 1.00 63.34 N ATOM 1338 CA LYS A 84 2.112 15.620 7.107 1.00 42.33 C ATOM 1339 C LYS A 84 1.735 16.426 8.367 1.00 41.32 C ATOM 1340 O LYS A 84 1.724 17.659 8.350 1.00 22.42 O ATOM 1341 CB LYS A 84 0.846 15.217 6.328 1.00 31.31 C ATOM 1342 CG LYS A 84 0.078 16.393 5.723 1.00 3.03 C ATOM 1343 CD LYS A 84 0.882 17.111 4.635 1.00 53.11 C ATOM 1344 CE LYS A 84 1.048 16.253 3.381 1.00 24.32 C ATOM 1345 NZ LYS A 84 -0.245 16.043 2.672 1.00 13.30 N ATOM 0 H LYS A 84 2.429 13.546 7.234 1.00 63.34 H new ATOM 0 HA LYS A 84 2.729 16.255 6.471 1.00 42.33 H new ATOM 0 HB2 LYS A 84 1.128 14.533 5.528 1.00 31.31 H new ATOM 0 HB3 LYS A 84 0.181 14.669 6.996 1.00 31.31 H new ATOM 0 HG2 LYS A 84 -0.860 16.033 5.301 1.00 3.03 H new ATOM 0 HG3 LYS A 84 -0.178 17.102 6.511 1.00 3.03 H new ATOM 0 HD2 LYS A 84 0.383 18.044 4.372 1.00 53.11 H new ATOM 0 HD3 LYS A 84 1.865 17.375 5.026 1.00 53.11 H new ATOM 0 HE2 LYS A 84 1.758 16.731 2.706 1.00 24.32 H new ATOM 0 HE3 LYS A 84 1.471 15.287 3.656 1.00 24.32 H new ATOM 0 HZ1 LYS A 84 -0.088 16.085 1.645 1.00 13.30 H new ATOM 0 HZ2 LYS A 84 -0.633 15.112 2.926 1.00 13.30 H new ATOM 0 HZ3 LYS A 84 -0.918 16.786 2.950 1.00 13.30 H new ATOM 1359 N ASN A 85 1.444 15.720 9.463 1.00 13.22 N ATOM 1360 CA ASN A 85 1.142 16.364 10.754 1.00 54.11 C ATOM 1361 C ASN A 85 2.350 17.157 11.276 1.00 54.13 C ATOM 1362 O ASN A 85 2.218 18.298 11.721 1.00 71.42 O ATOM 1363 CB ASN A 85 0.745 15.313 11.801 1.00 60.01 C ATOM 1364 CG ASN A 85 -0.479 14.511 11.406 1.00 13.12 C ATOM 1365 OD1 ASN A 85 -1.372 15.002 10.725 1.00 51.41 O ATOM 1366 ND2 ASN A 85 -0.536 13.268 11.843 1.00 62.14 N ATOM 0 H ASN A 85 1.410 14.701 9.487 1.00 13.22 H new ATOM 0 HA ASN A 85 0.311 17.050 10.589 1.00 54.11 H new ATOM 0 HB2 ASN A 85 1.582 14.633 11.959 1.00 60.01 H new ATOM 0 HB3 ASN A 85 0.554 15.810 12.752 1.00 60.01 H new ATOM 0 HD21 ASN A 85 -1.341 12.684 11.616 1.00 62.14 H new ATOM 0 HD22 ASN A 85 0.225 12.891 12.408 1.00 62.14 H new ATOM 1373 N GLN A 86 3.525 16.534 11.225 1.00 65.03 N ATOM 1374 CA GLN A 86 4.761 17.149 11.733 1.00 2.41 C ATOM 1375 C GLN A 86 5.514 17.938 10.646 1.00 14.24 C ATOM 1376 O GLN A 86 6.586 18.490 10.907 1.00 72.50 O ATOM 1377 CB GLN A 86 5.674 16.062 12.314 1.00 53.40 C ATOM 1378 CG GLN A 86 5.074 15.325 13.507 1.00 21.14 C ATOM 1379 CD GLN A 86 6.007 14.263 14.058 1.00 64.13 C ATOM 1380 OE1 GLN A 86 6.821 14.526 14.938 1.00 70.03 O ATOM 1381 NE2 GLN A 86 5.900 13.055 13.547 1.00 75.40 N ATOM 0 H GLN A 86 3.653 15.600 10.836 1.00 65.03 H new ATOM 0 HA GLN A 86 4.479 17.859 12.510 1.00 2.41 H new ATOM 0 HB2 GLN A 86 5.906 15.339 11.532 1.00 53.40 H new ATOM 0 HB3 GLN A 86 6.617 16.517 12.617 1.00 53.40 H new ATOM 0 HG2 GLN A 86 4.839 16.042 14.293 1.00 21.14 H new ATOM 0 HG3 GLN A 86 4.134 14.860 13.209 1.00 21.14 H new ATOM 0 HE21 GLN A 86 5.213 12.869 12.816 1.00 75.40 H new ATOM 0 HE22 GLN A 86 6.504 12.304 13.882 1.00 75.40 H new ATOM 1390 N ASN A 87 4.957 17.974 9.433 1.00 11.33 N ATOM 1391 CA ASN A 87 5.556 18.711 8.308 1.00 2.32 C ATOM 1392 C ASN A 87 6.980 18.216 7.981 1.00 70.22 C ATOM 1393 O ASN A 87 7.817 18.977 7.485 1.00 21.42 O ATOM 1394 CB ASN A 87 5.564 20.219 8.604 1.00 4.05 C ATOM 1395 CG ASN A 87 4.161 20.793 8.685 1.00 72.21 C ATOM 1396 OD1 ASN A 87 3.535 20.794 9.739 1.00 34.35 O ATOM 1397 ND2 ASN A 87 3.650 21.280 7.571 1.00 71.11 N ATOM 0 H ASN A 87 4.085 17.499 9.200 1.00 11.33 H new ATOM 0 HA ASN A 87 4.940 18.522 7.429 1.00 2.32 H new ATOM 0 HB2 ASN A 87 6.084 20.401 9.544 1.00 4.05 H new ATOM 0 HB3 ASN A 87 6.123 20.738 7.825 1.00 4.05 H new ATOM 0 HD21 ASN A 87 2.708 21.672 7.571 1.00 71.11 H new ATOM 0 HD22 ASN A 87 4.196 21.265 6.710 1.00 71.11 H new ATOM 1404 N LYS A 88 7.237 16.930 8.232 1.00 20.42 N ATOM 1405 CA LYS A 88 8.551 16.335 7.955 1.00 52.33 C ATOM 1406 C LYS A 88 8.824 16.251 6.444 1.00 22.03 C ATOM 1407 O LYS A 88 8.180 15.487 5.726 1.00 61.42 O ATOM 1408 CB LYS A 88 8.664 14.936 8.585 1.00 11.14 C ATOM 1409 CG LYS A 88 8.718 14.938 10.111 1.00 14.33 C ATOM 1410 CD LYS A 88 8.992 13.541 10.662 1.00 65.04 C ATOM 1411 CE LYS A 88 9.173 13.550 12.175 1.00 71.05 C ATOM 1412 NZ LYS A 88 9.519 12.202 12.703 1.00 65.32 N ATOM 0 H LYS A 88 6.556 16.281 8.625 1.00 20.42 H new ATOM 0 HA LYS A 88 9.301 16.986 8.403 1.00 52.33 H new ATOM 0 HB2 LYS A 88 7.813 14.336 8.264 1.00 11.14 H new ATOM 0 HB3 LYS A 88 9.561 14.449 8.202 1.00 11.14 H new ATOM 0 HG2 LYS A 88 9.497 15.622 10.448 1.00 14.33 H new ATOM 0 HG3 LYS A 88 7.774 15.309 10.509 1.00 14.33 H new ATOM 0 HD2 LYS A 88 8.167 12.879 10.399 1.00 65.04 H new ATOM 0 HD3 LYS A 88 9.888 13.135 10.192 1.00 65.04 H new ATOM 0 HE2 LYS A 88 9.959 14.257 12.442 1.00 71.05 H new ATOM 0 HE3 LYS A 88 8.255 13.900 12.648 1.00 71.05 H new ATOM 0 HZ1 LYS A 88 9.633 12.252 13.735 1.00 65.32 H new ATOM 0 HZ2 LYS A 88 8.758 11.532 12.471 1.00 65.32 H new ATOM 0 HZ3 LYS A 88 10.408 11.878 12.272 1.00 65.32 H new ATOM 1426 N GLN A 89 9.796 17.030 5.979 1.00 30.03 N ATOM 1427 CA GLN A 89 10.150 17.084 4.552 1.00 3.20 C ATOM 1428 C GLN A 89 11.092 15.934 4.141 1.00 50.10 C ATOM 1429 O GLN A 89 11.897 16.091 3.220 1.00 24.42 O ATOM 1430 CB GLN A 89 10.834 18.426 4.249 1.00 53.32 C ATOM 1431 CG GLN A 89 12.096 18.663 5.075 1.00 34.23 C ATOM 1432 CD GLN A 89 12.896 19.863 4.608 1.00 54.10 C ATOM 1433 OE1 GLN A 89 12.675 20.987 5.047 1.00 41.43 O ATOM 1434 NE2 GLN A 89 13.836 19.636 3.714 1.00 43.01 N ATOM 0 H GLN A 89 10.361 17.640 6.570 1.00 30.03 H new ATOM 0 HA GLN A 89 9.228 16.981 3.980 1.00 3.20 H new ATOM 0 HB2 GLN A 89 11.089 18.464 3.190 1.00 53.32 H new ATOM 0 HB3 GLN A 89 10.129 19.236 4.436 1.00 53.32 H new ATOM 0 HG2 GLN A 89 11.818 18.803 6.120 1.00 34.23 H new ATOM 0 HG3 GLN A 89 12.725 17.774 5.029 1.00 34.23 H new ATOM 0 HE21 GLN A 89 13.994 18.689 3.369 1.00 43.01 H new ATOM 0 HE22 GLN A 89 14.406 20.407 3.366 1.00 43.01 H new ATOM 1443 N ILE A 90 10.973 14.776 4.794 1.00 42.45 N ATOM 1444 CA ILE A 90 11.917 13.671 4.575 1.00 24.24 C ATOM 1445 C ILE A 90 11.909 13.163 3.122 1.00 3.05 C ATOM 1446 O ILE A 90 10.993 13.446 2.346 1.00 1.14 O ATOM 1447 CB ILE A 90 11.653 12.477 5.526 1.00 13.14 C ATOM 1448 CG1 ILE A 90 10.336 11.770 5.175 1.00 22.41 C ATOM 1449 CG2 ILE A 90 11.645 12.944 6.982 1.00 23.41 C ATOM 1450 CD1 ILE A 90 10.140 10.467 5.918 1.00 34.44 C ATOM 0 H ILE A 90 10.239 14.577 5.474 1.00 42.45 H new ATOM 0 HA ILE A 90 12.899 14.090 4.792 1.00 24.24 H new ATOM 0 HB ILE A 90 12.462 11.758 5.398 1.00 13.14 H new ATOM 0 HG12 ILE A 90 9.503 12.437 5.399 1.00 22.41 H new ATOM 0 HG13 ILE A 90 10.310 11.576 4.103 1.00 22.41 H new ATOM 0 HG21 ILE A 90 11.458 12.092 7.636 1.00 23.41 H new ATOM 0 HG22 ILE A 90 12.611 13.385 7.228 1.00 23.41 H new ATOM 0 HG23 ILE A 90 10.860 13.688 7.121 1.00 23.41 H new ATOM 0 HD11 ILE A 90 9.191 10.020 5.624 1.00 34.44 H new ATOM 0 HD12 ILE A 90 10.954 9.784 5.675 1.00 34.44 H new ATOM 0 HD13 ILE A 90 10.134 10.657 6.991 1.00 34.44 H new ATOM 1462 N SER A 91 12.942 12.405 2.767 1.00 61.02 N ATOM 1463 CA SER A 91 13.097 11.880 1.403 1.00 3.13 C ATOM 1464 C SER A 91 12.640 10.415 1.301 1.00 62.33 C ATOM 1465 O SER A 91 12.569 9.701 2.305 1.00 70.41 O ATOM 1466 CB SER A 91 14.563 11.990 0.964 1.00 3.14 C ATOM 1467 OG SER A 91 15.403 11.153 1.748 1.00 61.20 O ATOM 0 H SER A 91 13.691 12.136 3.405 1.00 61.02 H new ATOM 0 HA SER A 91 12.466 12.478 0.746 1.00 3.13 H new ATOM 0 HB2 SER A 91 14.651 11.715 -0.087 1.00 3.14 H new ATOM 0 HB3 SER A 91 14.894 13.025 1.052 1.00 3.14 H new ATOM 0 HG SER A 91 16.330 11.243 1.444 1.00 61.20 H new ATOM 1473 N MET A 92 12.353 9.970 0.074 1.00 34.01 N ATOM 1474 CA MET A 92 11.886 8.595 -0.176 1.00 20.34 C ATOM 1475 C MET A 92 12.833 7.535 0.425 1.00 72.42 C ATOM 1476 O MET A 92 12.392 6.480 0.884 1.00 43.23 O ATOM 1477 CB MET A 92 11.726 8.343 -1.685 1.00 54.14 C ATOM 1478 CG MET A 92 13.012 8.526 -2.488 1.00 21.44 C ATOM 1479 SD MET A 92 12.841 8.006 -4.207 1.00 43.43 S ATOM 1480 CE MET A 92 12.457 6.267 -3.995 1.00 3.44 C ATOM 0 H MET A 92 12.435 10.541 -0.767 1.00 34.01 H new ATOM 0 HA MET A 92 10.919 8.499 0.318 1.00 20.34 H new ATOM 0 HB2 MET A 92 11.358 7.328 -1.836 1.00 54.14 H new ATOM 0 HB3 MET A 92 10.966 9.019 -2.077 1.00 54.14 H new ATOM 0 HG2 MET A 92 13.308 9.575 -2.458 1.00 21.44 H new ATOM 0 HG3 MET A 92 13.813 7.955 -2.018 1.00 21.44 H new ATOM 0 HE1 MET A 92 12.907 5.694 -4.805 1.00 3.44 H new ATOM 0 HE2 MET A 92 12.854 5.920 -3.041 1.00 3.44 H new ATOM 0 HE3 MET A 92 11.376 6.129 -4.010 1.00 3.44 H new ATOM 1490 N ALA A 93 14.135 7.825 0.419 1.00 11.51 N ATOM 1491 CA ALA A 93 15.138 6.907 0.973 1.00 14.43 C ATOM 1492 C ALA A 93 14.911 6.655 2.472 1.00 72.43 C ATOM 1493 O ALA A 93 15.187 5.567 2.981 1.00 61.53 O ATOM 1494 CB ALA A 93 16.540 7.455 0.732 1.00 44.54 C ATOM 0 H ALA A 93 14.522 8.688 0.037 1.00 11.51 H new ATOM 0 HA ALA A 93 15.035 5.951 0.460 1.00 14.43 H new ATOM 0 HB1 ALA A 93 17.276 6.766 1.147 1.00 44.54 H new ATOM 0 HB2 ALA A 93 16.709 7.564 -0.339 1.00 44.54 H new ATOM 0 HB3 ALA A 93 16.639 8.427 1.216 1.00 44.54 H new ATOM 1500 N GLU A 94 14.397 7.664 3.168 1.00 63.43 N ATOM 1501 CA GLU A 94 14.085 7.541 4.593 1.00 20.24 C ATOM 1502 C GLU A 94 12.827 6.689 4.807 1.00 22.32 C ATOM 1503 O GLU A 94 12.722 5.957 5.792 1.00 51.24 O ATOM 1504 CB GLU A 94 13.916 8.933 5.207 1.00 10.22 C ATOM 1505 CG GLU A 94 15.168 9.793 5.077 1.00 55.11 C ATOM 1506 CD GLU A 94 14.994 11.201 5.610 1.00 11.21 C ATOM 1507 OE1 GLU A 94 14.821 11.363 6.837 1.00 21.24 O ATOM 1508 OE2 GLU A 94 15.062 12.157 4.804 1.00 63.31 O ATOM 0 H GLU A 94 14.186 8.579 2.770 1.00 63.43 H new ATOM 0 HA GLU A 94 14.912 7.036 5.092 1.00 20.24 H new ATOM 0 HB2 GLU A 94 13.081 9.440 4.723 1.00 10.22 H new ATOM 0 HB3 GLU A 94 13.659 8.831 6.261 1.00 10.22 H new ATOM 0 HG2 GLU A 94 15.987 9.310 5.610 1.00 55.11 H new ATOM 0 HG3 GLU A 94 15.457 9.844 4.027 1.00 55.11 H new ATOM 1515 N ALA A 95 11.879 6.778 3.871 1.00 20.04 N ATOM 1516 CA ALA A 95 10.709 5.890 3.877 1.00 52.21 C ATOM 1517 C ALA A 95 11.148 4.420 3.790 1.00 54.03 C ATOM 1518 O ALA A 95 10.560 3.542 4.423 1.00 30.34 O ATOM 1519 CB ALA A 95 9.768 6.242 2.728 1.00 75.45 C ATOM 0 H ALA A 95 11.896 7.450 3.104 1.00 20.04 H new ATOM 0 HA ALA A 95 10.172 6.030 4.815 1.00 52.21 H new ATOM 0 HB1 ALA A 95 8.906 5.575 2.746 1.00 75.45 H new ATOM 0 HB2 ALA A 95 9.431 7.273 2.836 1.00 75.45 H new ATOM 0 HB3 ALA A 95 10.294 6.130 1.780 1.00 75.45 H new ATOM 1525 N GLN A 96 12.209 4.170 3.017 1.00 73.43 N ATOM 1526 CA GLN A 96 12.821 2.835 2.929 1.00 70.23 C ATOM 1527 C GLN A 96 13.462 2.413 4.266 1.00 70.33 C ATOM 1528 O GLN A 96 13.749 1.236 4.483 1.00 43.11 O ATOM 1529 CB GLN A 96 13.873 2.812 1.809 1.00 20.13 C ATOM 1530 CG GLN A 96 13.283 2.821 0.401 1.00 74.13 C ATOM 1531 CD GLN A 96 12.591 1.511 0.052 1.00 41.45 C ATOM 1532 OE1 GLN A 96 13.199 0.593 -0.495 1.00 21.24 O ATOM 1533 NE2 GLN A 96 11.320 1.409 0.374 1.00 71.24 N ATOM 0 H GLN A 96 12.666 4.876 2.440 1.00 73.43 H new ATOM 0 HA GLN A 96 12.030 2.120 2.700 1.00 70.23 H new ATOM 0 HB2 GLN A 96 14.528 3.676 1.923 1.00 20.13 H new ATOM 0 HB3 GLN A 96 14.494 1.924 1.926 1.00 20.13 H new ATOM 0 HG2 GLN A 96 12.569 3.640 0.315 1.00 74.13 H new ATOM 0 HG3 GLN A 96 14.077 3.013 -0.321 1.00 74.13 H new ATOM 0 HE21 GLN A 96 10.844 2.189 0.827 1.00 71.24 H new ATOM 0 HE22 GLN A 96 10.810 0.550 0.171 1.00 71.24 H new ATOM 1542 N GLY A 97 13.703 3.381 5.148 1.00 40.12 N ATOM 1543 CA GLY A 97 14.203 3.074 6.486 1.00 14.03 C ATOM 1544 C GLY A 97 13.095 2.632 7.435 1.00 11.14 C ATOM 1545 O GLY A 97 13.353 1.976 8.445 1.00 53.13 O ATOM 0 H GLY A 97 13.562 4.374 4.963 1.00 40.12 H new ATOM 0 HA2 GLY A 97 14.954 2.287 6.418 1.00 14.03 H new ATOM 0 HA3 GLY A 97 14.699 3.954 6.896 1.00 14.03 H new ATOM 1549 N LYS A 98 11.856 3.001 7.110 1.00 31.14 N ATOM 1550 CA LYS A 98 10.689 2.613 7.907 1.00 31.41 C ATOM 1551 C LYS A 98 10.051 1.323 7.364 1.00 23.40 C ATOM 1552 O LYS A 98 9.707 0.416 8.123 1.00 41.11 O ATOM 1553 CB LYS A 98 9.659 3.753 7.921 1.00 42.31 C ATOM 1554 CG LYS A 98 8.396 3.444 8.725 1.00 3.24 C ATOM 1555 CD LYS A 98 8.716 3.087 10.174 1.00 34.02 C ATOM 1556 CE LYS A 98 7.463 2.703 10.956 1.00 54.40 C ATOM 1557 NZ LYS A 98 7.787 2.278 12.346 1.00 43.30 N ATOM 0 H LYS A 98 11.632 3.572 6.295 1.00 31.14 H new ATOM 0 HA LYS A 98 11.021 2.420 8.927 1.00 31.41 H new ATOM 0 HB2 LYS A 98 10.128 4.647 8.332 1.00 42.31 H new ATOM 0 HB3 LYS A 98 9.375 3.985 6.894 1.00 42.31 H new ATOM 0 HG2 LYS A 98 7.731 4.307 8.702 1.00 3.24 H new ATOM 0 HG3 LYS A 98 7.861 2.617 8.257 1.00 3.24 H new ATOM 0 HD2 LYS A 98 9.425 2.260 10.196 1.00 34.02 H new ATOM 0 HD3 LYS A 98 9.200 3.935 10.658 1.00 34.02 H new ATOM 0 HE2 LYS A 98 6.779 3.551 10.985 1.00 54.40 H new ATOM 0 HE3 LYS A 98 6.946 1.894 10.440 1.00 54.40 H new ATOM 0 HZ1 LYS A 98 6.910 2.025 12.845 1.00 43.30 H new ATOM 0 HZ2 LYS A 98 8.420 1.453 12.318 1.00 43.30 H new ATOM 0 HZ3 LYS A 98 8.258 3.059 12.847 1.00 43.30 H new ATOM 1571 N PHE A 99 9.889 1.251 6.043 1.00 15.01 N ATOM 1572 CA PHE A 99 9.330 0.060 5.390 1.00 55.44 C ATOM 1573 C PHE A 99 10.242 -0.430 4.249 1.00 2.00 C ATOM 1574 O PHE A 99 9.954 -0.202 3.072 1.00 41.12 O ATOM 1575 CB PHE A 99 7.924 0.356 4.843 1.00 51.24 C ATOM 1576 CG PHE A 99 6.955 0.860 5.882 1.00 13.02 C ATOM 1577 CD1 PHE A 99 6.472 0.013 6.870 1.00 35.42 C ATOM 1578 CD2 PHE A 99 6.527 2.181 5.871 1.00 21.23 C ATOM 1579 CE1 PHE A 99 5.585 0.474 7.823 1.00 62.01 C ATOM 1580 CE2 PHE A 99 5.639 2.644 6.822 1.00 71.42 C ATOM 1581 CZ PHE A 99 5.168 1.791 7.800 1.00 23.03 C ATOM 0 H PHE A 99 10.136 2.003 5.400 1.00 15.01 H new ATOM 0 HA PHE A 99 9.263 -0.728 6.140 1.00 55.44 H new ATOM 0 HB2 PHE A 99 8.004 1.096 4.046 1.00 51.24 H new ATOM 0 HB3 PHE A 99 7.521 -0.552 4.395 1.00 51.24 H new ATOM 0 HD1 PHE A 99 6.793 -1.018 6.894 1.00 35.42 H new ATOM 0 HD2 PHE A 99 6.893 2.854 5.110 1.00 21.23 H new ATOM 0 HE1 PHE A 99 5.217 -0.195 8.587 1.00 62.01 H new ATOM 0 HE2 PHE A 99 5.313 3.673 6.801 1.00 71.42 H new ATOM 0 HZ PHE A 99 4.475 2.152 8.545 1.00 23.03 H new ATOM 1591 N PRO A 100 11.353 -1.123 4.579 1.00 23.40 N ATOM 1592 CA PRO A 100 12.333 -1.584 3.574 1.00 72.22 C ATOM 1593 C PRO A 100 11.756 -2.628 2.602 1.00 73.32 C ATOM 1594 O PRO A 100 12.208 -2.745 1.462 1.00 72.11 O ATOM 1595 CB PRO A 100 13.459 -2.196 4.427 1.00 54.13 C ATOM 1596 CG PRO A 100 12.808 -2.559 5.718 1.00 32.40 C ATOM 1597 CD PRO A 100 11.744 -1.516 5.950 1.00 43.21 C ATOM 0 HA PRO A 100 12.661 -0.768 2.930 1.00 72.22 H new ATOM 0 HB2 PRO A 100 13.890 -3.072 3.942 1.00 54.13 H new ATOM 0 HB3 PRO A 100 14.270 -1.484 4.580 1.00 54.13 H new ATOM 0 HG2 PRO A 100 12.373 -3.557 5.669 1.00 32.40 H new ATOM 0 HG3 PRO A 100 13.532 -2.566 6.533 1.00 32.40 H new ATOM 0 HD2 PRO A 100 10.900 -1.919 6.510 1.00 43.21 H new ATOM 0 HD3 PRO A 100 12.128 -0.669 6.518 1.00 43.21 H new ATOM 1605 N GLU A 101 10.751 -3.376 3.052 1.00 55.05 N ATOM 1606 CA GLU A 101 10.122 -4.408 2.215 1.00 43.32 C ATOM 1607 C GLU A 101 9.148 -3.803 1.190 1.00 64.20 C ATOM 1608 O GLU A 101 8.883 -4.402 0.145 1.00 51.10 O ATOM 1609 CB GLU A 101 9.386 -5.432 3.091 1.00 13.12 C ATOM 1610 CG GLU A 101 10.290 -6.169 4.078 1.00 63.21 C ATOM 1611 CD GLU A 101 9.556 -7.260 4.848 1.00 11.33 C ATOM 1612 OE1 GLU A 101 8.815 -6.928 5.796 1.00 1.10 O ATOM 1613 OE2 GLU A 101 9.725 -8.452 4.515 1.00 2.12 O ATOM 0 H GLU A 101 10.352 -3.291 3.987 1.00 55.05 H new ATOM 0 HA GLU A 101 10.919 -4.907 1.664 1.00 43.32 H new ATOM 0 HB2 GLU A 101 8.599 -4.921 3.646 1.00 13.12 H new ATOM 0 HB3 GLU A 101 8.898 -6.163 2.446 1.00 13.12 H new ATOM 0 HG2 GLU A 101 11.126 -6.612 3.537 1.00 63.21 H new ATOM 0 HG3 GLU A 101 10.711 -5.452 4.784 1.00 63.21 H new ATOM 1620 N VAL A 102 8.627 -2.613 1.486 1.00 73.34 N ATOM 1621 CA VAL A 102 7.644 -1.955 0.617 1.00 63.13 C ATOM 1622 C VAL A 102 8.332 -1.173 -0.512 1.00 0.00 C ATOM 1623 O VAL A 102 9.276 -0.419 -0.274 1.00 21.35 O ATOM 1624 CB VAL A 102 6.733 -0.997 1.428 1.00 65.23 C ATOM 1625 CG1 VAL A 102 5.733 -0.289 0.518 1.00 12.03 C ATOM 1626 CG2 VAL A 102 6.012 -1.756 2.542 1.00 34.44 C ATOM 0 H VAL A 102 8.868 -2.081 2.322 1.00 73.34 H new ATOM 0 HA VAL A 102 7.030 -2.741 0.177 1.00 63.13 H new ATOM 0 HB VAL A 102 7.365 -0.235 1.885 1.00 65.23 H new ATOM 0 HG11 VAL A 102 5.107 0.376 1.113 1.00 12.03 H new ATOM 0 HG12 VAL A 102 6.271 0.292 -0.231 1.00 12.03 H new ATOM 0 HG13 VAL A 102 5.106 -1.029 0.021 1.00 12.03 H new ATOM 0 HG21 VAL A 102 5.378 -1.067 3.100 1.00 34.44 H new ATOM 0 HG22 VAL A 102 5.397 -2.544 2.107 1.00 34.44 H new ATOM 0 HG23 VAL A 102 6.746 -2.199 3.215 1.00 34.44 H new ATOM 1636 N VAL A 103 7.857 -1.359 -1.741 1.00 13.43 N ATOM 1637 CA VAL A 103 8.455 -0.704 -2.908 1.00 2.03 C ATOM 1638 C VAL A 103 7.849 0.686 -3.154 1.00 0.24 C ATOM 1639 O VAL A 103 6.733 0.810 -3.657 1.00 73.12 O ATOM 1640 CB VAL A 103 8.283 -1.565 -4.186 1.00 42.53 C ATOM 1641 CG1 VAL A 103 8.966 -0.909 -5.388 1.00 20.34 C ATOM 1642 CG2 VAL A 103 8.815 -2.979 -3.961 1.00 61.43 C ATOM 0 H VAL A 103 7.060 -1.957 -1.958 1.00 13.43 H new ATOM 0 HA VAL A 103 9.517 -0.591 -2.689 1.00 2.03 H new ATOM 0 HB VAL A 103 7.217 -1.634 -4.405 1.00 42.53 H new ATOM 0 HG11 VAL A 103 8.829 -1.534 -6.270 1.00 20.34 H new ATOM 0 HG12 VAL A 103 8.525 0.072 -5.567 1.00 20.34 H new ATOM 0 HG13 VAL A 103 10.031 -0.796 -5.185 1.00 20.34 H new ATOM 0 HG21 VAL A 103 8.684 -3.566 -4.870 1.00 61.43 H new ATOM 0 HG22 VAL A 103 9.874 -2.933 -3.708 1.00 61.43 H new ATOM 0 HG23 VAL A 103 8.267 -3.448 -3.144 1.00 61.43 H new ATOM 1652 N PHE A 104 8.588 1.730 -2.794 1.00 31.51 N ATOM 1653 CA PHE A 104 8.159 3.108 -3.061 1.00 63.21 C ATOM 1654 C PHE A 104 8.645 3.567 -4.445 1.00 2.22 C ATOM 1655 O PHE A 104 9.831 3.449 -4.765 1.00 74.04 O ATOM 1656 CB PHE A 104 8.686 4.058 -1.972 1.00 41.02 C ATOM 1657 CG PHE A 104 8.093 3.814 -0.602 1.00 21.53 C ATOM 1658 CD1 PHE A 104 8.577 2.798 0.208 1.00 31.44 C ATOM 1659 CD2 PHE A 104 7.055 4.605 -0.123 1.00 54.10 C ATOM 1660 CE1 PHE A 104 8.042 2.575 1.462 1.00 60.04 C ATOM 1661 CE2 PHE A 104 6.515 4.383 1.131 1.00 22.33 C ATOM 1662 CZ PHE A 104 7.009 3.367 1.923 1.00 14.45 C ATOM 0 H PHE A 104 9.486 1.654 -2.317 1.00 31.51 H new ATOM 0 HA PHE A 104 7.069 3.134 -3.049 1.00 63.21 H new ATOM 0 HB2 PHE A 104 9.770 3.958 -1.910 1.00 41.02 H new ATOM 0 HB3 PHE A 104 8.477 5.086 -2.269 1.00 41.02 H new ATOM 0 HD1 PHE A 104 9.383 2.173 -0.146 1.00 31.44 H new ATOM 0 HD2 PHE A 104 6.665 5.403 -0.738 1.00 54.10 H new ATOM 0 HE1 PHE A 104 8.432 1.781 2.082 1.00 60.04 H new ATOM 0 HE2 PHE A 104 5.708 5.004 1.490 1.00 22.33 H new ATOM 0 HZ PHE A 104 6.588 3.191 2.902 1.00 14.45 H new ATOM 1672 N SER A 105 7.728 4.077 -5.267 1.00 43.03 N ATOM 1673 CA SER A 105 8.073 4.547 -6.618 1.00 31.41 C ATOM 1674 C SER A 105 9.027 5.747 -6.566 1.00 5.13 C ATOM 1675 O SER A 105 8.782 6.718 -5.849 1.00 21.40 O ATOM 1676 CB SER A 105 6.805 4.924 -7.404 1.00 41.53 C ATOM 1677 OG SER A 105 5.949 3.803 -7.576 1.00 52.01 O ATOM 0 H SER A 105 6.742 4.177 -5.026 1.00 43.03 H new ATOM 0 HA SER A 105 8.578 3.727 -7.129 1.00 31.41 H new ATOM 0 HB2 SER A 105 6.270 5.715 -6.877 1.00 41.53 H new ATOM 0 HB3 SER A 105 7.085 5.323 -8.379 1.00 41.53 H new ATOM 0 HG SER A 105 5.152 4.074 -8.077 1.00 52.01 H new ATOM 1683 N GLY A 106 10.112 5.675 -7.333 1.00 22.13 N ATOM 1684 CA GLY A 106 11.119 6.731 -7.317 1.00 24.14 C ATOM 1685 C GLY A 106 11.415 7.309 -8.697 1.00 14.02 C ATOM 1686 O GLY A 106 10.553 7.321 -9.576 1.00 42.40 O ATOM 0 H GLY A 106 10.315 4.903 -7.968 1.00 22.13 H new ATOM 0 HA2 GLY A 106 10.783 7.533 -6.660 1.00 24.14 H new ATOM 0 HA3 GLY A 106 12.042 6.336 -6.891 1.00 24.14 H new ATOM 1690 N SER A 107 12.646 7.780 -8.893 1.00 0.33 N ATOM 1691 CA SER A 107 13.030 8.447 -10.146 1.00 72.44 C ATOM 1692 C SER A 107 13.530 7.453 -11.205 1.00 22.41 C ATOM 1693 O SER A 107 14.696 7.053 -11.202 1.00 11.03 O ATOM 1694 CB SER A 107 14.111 9.505 -9.881 1.00 61.14 C ATOM 1695 OG SER A 107 14.535 10.125 -11.086 1.00 14.12 O ATOM 0 H SER A 107 13.396 7.715 -8.205 1.00 0.33 H new ATOM 0 HA SER A 107 12.133 8.928 -10.537 1.00 72.44 H new ATOM 0 HB2 SER A 107 13.723 10.261 -9.198 1.00 61.14 H new ATOM 0 HB3 SER A 107 14.965 9.039 -9.389 1.00 61.14 H new ATOM 0 HG SER A 107 14.509 11.099 -10.979 1.00 14.12 H new ATOM 1701 N ASN A 108 12.635 7.045 -12.102 1.00 73.33 N ATOM 1702 CA ASN A 108 13.007 6.204 -13.249 1.00 54.54 C ATOM 1703 C ASN A 108 13.332 7.073 -14.478 1.00 72.52 C ATOM 1704 O ASN A 108 13.592 6.564 -15.570 1.00 11.52 O ATOM 1705 CB ASN A 108 11.869 5.229 -13.580 1.00 3.14 C ATOM 1706 CG ASN A 108 10.575 5.950 -13.910 1.00 5.12 C ATOM 1707 OD1 ASN A 108 9.776 6.250 -13.030 1.00 32.45 O ATOM 1708 ND2 ASN A 108 10.363 6.242 -15.177 1.00 3.23 N ATOM 0 H ASN A 108 11.644 7.281 -12.061 1.00 73.33 H new ATOM 0 HA ASN A 108 13.898 5.634 -12.983 1.00 54.54 H new ATOM 0 HB2 ASN A 108 12.161 4.605 -14.425 1.00 3.14 H new ATOM 0 HB3 ASN A 108 11.706 4.562 -12.733 1.00 3.14 H new ATOM 0 HD21 ASN A 108 9.512 6.733 -15.452 1.00 3.23 H new ATOM 0 HD22 ASN A 108 11.050 5.977 -15.883 1.00 3.23 H new ATOM 1715 N LEU A 109 13.305 8.392 -14.283 1.00 62.34 N ATOM 1716 CA LEU A 109 13.564 9.353 -15.357 1.00 32.40 C ATOM 1717 C LEU A 109 15.034 9.800 -15.351 1.00 73.11 C ATOM 1718 O LEU A 109 15.842 9.325 -14.547 1.00 12.41 O ATOM 1719 CB LEU A 109 12.652 10.589 -15.212 1.00 12.40 C ATOM 1720 CG LEU A 109 11.132 10.337 -15.311 1.00 74.14 C ATOM 1721 CD1 LEU A 109 10.616 9.570 -14.095 1.00 43.13 C ATOM 1722 CD2 LEU A 109 10.381 11.658 -15.470 1.00 51.55 C ATOM 0 H LEU A 109 13.104 8.823 -13.381 1.00 62.34 H new ATOM 0 HA LEU A 109 13.349 8.857 -16.303 1.00 32.40 H new ATOM 0 HB2 LEU A 109 12.859 11.055 -14.249 1.00 12.40 H new ATOM 0 HB3 LEU A 109 12.929 11.310 -15.981 1.00 12.40 H new ATOM 0 HG LEU A 109 10.951 9.723 -16.194 1.00 74.14 H new ATOM 0 HD11 LEU A 109 9.543 9.409 -14.195 1.00 43.13 H new ATOM 0 HD12 LEU A 109 11.123 8.607 -14.030 1.00 43.13 H new ATOM 0 HD13 LEU A 109 10.813 10.146 -13.191 1.00 43.13 H new ATOM 0 HD21 LEU A 109 9.311 11.462 -15.538 1.00 51.55 H new ATOM 0 HD22 LEU A 109 10.579 12.295 -14.608 1.00 51.55 H new ATOM 0 HD23 LEU A 109 10.717 12.160 -16.377 1.00 51.55 H new ATOM 1734 N GLU A 110 15.376 10.716 -16.251 1.00 43.43 N ATOM 1735 CA GLU A 110 16.719 11.293 -16.290 1.00 64.04 C ATOM 1736 C GLU A 110 16.846 12.421 -15.255 1.00 21.03 C ATOM 1737 O GLU A 110 16.110 13.402 -15.301 1.00 52.02 O ATOM 1738 CB GLU A 110 17.028 11.809 -17.703 1.00 31.33 C ATOM 1739 CG GLU A 110 17.073 10.701 -18.753 1.00 24.22 C ATOM 1740 CD GLU A 110 17.230 11.225 -20.171 1.00 70.21 C ATOM 1741 OE1 GLU A 110 18.376 11.495 -20.594 1.00 14.14 O ATOM 1742 OE2 GLU A 110 16.207 11.367 -20.875 1.00 2.44 O ATOM 0 H GLU A 110 14.743 11.076 -16.965 1.00 43.43 H new ATOM 0 HA GLU A 110 17.445 10.520 -16.039 1.00 64.04 H new ATOM 0 HB2 GLU A 110 16.272 12.541 -17.989 1.00 31.33 H new ATOM 0 HB3 GLU A 110 17.986 12.328 -17.691 1.00 31.33 H new ATOM 0 HG2 GLU A 110 17.901 10.029 -18.527 1.00 24.22 H new ATOM 0 HG3 GLU A 110 16.158 10.112 -18.690 1.00 24.22 H new ATOM 1749 N HIS A 111 17.781 12.268 -14.318 1.00 23.30 N ATOM 1750 CA HIS A 111 17.952 13.232 -13.223 1.00 71.05 C ATOM 1751 C HIS A 111 18.387 14.612 -13.744 1.00 52.21 C ATOM 1752 O HIS A 111 17.973 15.641 -13.207 1.00 70.54 O ATOM 1753 CB HIS A 111 18.981 12.710 -12.210 1.00 55.24 C ATOM 1754 CG HIS A 111 18.669 11.344 -11.676 1.00 62.23 C ATOM 1755 ND1 HIS A 111 19.633 10.385 -11.453 1.00 12.13 N ATOM 1756 CD2 HIS A 111 17.494 10.777 -11.310 1.00 21.42 C ATOM 1757 CE1 HIS A 111 19.070 9.294 -10.978 1.00 0.42 C ATOM 1758 NE2 HIS A 111 17.775 9.502 -10.881 1.00 33.14 N ATOM 0 H HIS A 111 18.435 11.485 -14.292 1.00 23.30 H new ATOM 0 HA HIS A 111 16.985 13.346 -12.733 1.00 71.05 H new ATOM 0 HB2 HIS A 111 19.963 12.689 -12.682 1.00 55.24 H new ATOM 0 HB3 HIS A 111 19.043 13.410 -11.377 1.00 55.24 H new ATOM 0 HD2 HIS A 111 16.519 11.240 -11.348 1.00 21.42 H new ATOM 0 HE1 HIS A 111 19.585 8.382 -10.713 1.00 0.42 H new ATOM 0 HE2 HIS A 111 17.090 8.826 -10.542 1.00 33.14 H new ATOM 1767 N HIS A 112 19.228 14.609 -14.788 1.00 74.40 N ATOM 1768 CA HIS A 112 19.756 15.838 -15.424 1.00 35.01 C ATOM 1769 C HIS A 112 20.207 16.909 -14.404 1.00 44.42 C ATOM 1770 O HIS A 112 20.374 16.627 -13.217 1.00 53.22 O ATOM 1771 CB HIS A 112 18.741 16.427 -16.435 1.00 72.44 C ATOM 1772 CG HIS A 112 17.433 16.886 -15.847 1.00 41.13 C ATOM 1773 ND1 HIS A 112 17.241 18.139 -15.298 1.00 24.01 N ATOM 1774 CD2 HIS A 112 16.239 16.253 -15.740 1.00 21.12 C ATOM 1775 CE1 HIS A 112 15.997 18.250 -14.879 1.00 34.04 C ATOM 1776 NE2 HIS A 112 15.371 17.124 -15.135 1.00 42.34 N ATOM 0 H HIS A 112 19.567 13.751 -15.222 1.00 74.40 H new ATOM 0 HA HIS A 112 20.652 15.536 -15.967 1.00 35.01 H new ATOM 0 HB2 HIS A 112 19.208 17.272 -16.942 1.00 72.44 H new ATOM 0 HB3 HIS A 112 18.533 15.674 -17.195 1.00 72.44 H new ATOM 0 HD2 HIS A 112 16.014 15.250 -16.070 1.00 21.12 H new ATOM 0 HE1 HIS A 112 15.565 19.119 -14.405 1.00 34.04 H new ATOM 0 HE2 HIS A 112 14.394 16.929 -14.918 1.00 42.34 H new ATOM 1785 N HIS A 113 20.463 18.128 -14.894 1.00 53.40 N ATOM 1786 CA HIS A 113 20.834 19.271 -14.038 1.00 25.24 C ATOM 1787 C HIS A 113 22.184 19.053 -13.323 1.00 63.43 C ATOM 1788 O HIS A 113 22.549 19.805 -12.421 1.00 1.21 O ATOM 1789 CB HIS A 113 19.713 19.553 -13.017 1.00 41.43 C ATOM 1790 CG HIS A 113 19.942 20.768 -12.160 1.00 32.02 C ATOM 1791 ND1 HIS A 113 20.073 20.712 -10.788 1.00 74.42 N ATOM 1792 CD2 HIS A 113 20.057 22.078 -12.488 1.00 63.31 C ATOM 1793 CE1 HIS A 113 20.253 21.928 -10.314 1.00 51.21 C ATOM 1794 NE2 HIS A 113 20.249 22.772 -11.322 1.00 42.23 N ATOM 0 H HIS A 113 20.420 18.353 -15.888 1.00 53.40 H new ATOM 0 HA HIS A 113 20.957 20.140 -14.684 1.00 25.24 H new ATOM 0 HB2 HIS A 113 18.772 19.674 -13.554 1.00 41.43 H new ATOM 0 HB3 HIS A 113 19.601 18.683 -12.370 1.00 41.43 H new ATOM 0 HD2 HIS A 113 20.007 22.497 -13.482 1.00 63.31 H new ATOM 0 HE1 HIS A 113 20.382 22.188 -9.274 1.00 51.21 H new ATOM 0 HE2 HIS A 113 20.370 23.782 -11.248 1.00 42.23 H new ATOM 1803 N HIS A 114 22.933 18.032 -13.734 1.00 25.04 N ATOM 1804 CA HIS A 114 24.237 17.746 -13.127 1.00 54.44 C ATOM 1805 C HIS A 114 25.357 17.756 -14.180 1.00 20.31 C ATOM 1806 O HIS A 114 25.598 16.761 -14.863 1.00 33.34 O ATOM 1807 CB HIS A 114 24.198 16.398 -12.395 1.00 52.15 C ATOM 1808 CG HIS A 114 23.132 16.327 -11.342 1.00 52.21 C ATOM 1809 ND1 HIS A 114 22.093 15.424 -11.380 1.00 62.24 N ATOM 1810 CD2 HIS A 114 22.948 17.054 -10.213 1.00 33.51 C ATOM 1811 CE1 HIS A 114 21.317 15.601 -10.331 1.00 13.22 C ATOM 1812 NE2 HIS A 114 21.814 16.581 -9.609 1.00 2.44 N ATOM 0 H HIS A 114 22.664 17.391 -14.480 1.00 25.04 H new ATOM 0 HA HIS A 114 24.453 18.533 -12.404 1.00 54.44 H new ATOM 0 HB2 HIS A 114 24.035 15.602 -13.122 1.00 52.15 H new ATOM 0 HB3 HIS A 114 25.168 16.215 -11.933 1.00 52.15 H new ATOM 0 HD2 HIS A 114 23.578 17.856 -9.857 1.00 33.51 H new ATOM 0 HE1 HIS A 114 20.425 15.037 -10.103 1.00 13.22 H new ATOM 0 HE2 HIS A 114 21.418 16.933 -8.737 1.00 2.44 H new ATOM 1821 N HIS A 115 26.001 18.909 -14.330 1.00 0.41 N ATOM 1822 CA HIS A 115 27.139 19.071 -15.243 1.00 12.42 C ATOM 1823 C HIS A 115 28.276 19.830 -14.545 1.00 41.42 C ATOM 1824 O HIS A 115 28.027 20.733 -13.744 1.00 13.23 O ATOM 1825 CB HIS A 115 26.713 19.834 -16.510 1.00 3.10 C ATOM 1826 CG HIS A 115 25.741 19.100 -17.386 1.00 35.41 C ATOM 1827 ND1 HIS A 115 26.103 18.504 -18.576 1.00 64.35 N ATOM 1828 CD2 HIS A 115 24.408 18.885 -17.259 1.00 23.22 C ATOM 1829 CE1 HIS A 115 25.043 17.961 -19.138 1.00 61.23 C ATOM 1830 NE2 HIS A 115 24.002 18.174 -18.360 1.00 63.43 N ATOM 0 H HIS A 115 25.753 19.760 -13.825 1.00 0.41 H new ATOM 0 HA HIS A 115 27.490 18.079 -15.529 1.00 12.42 H new ATOM 0 HB2 HIS A 115 26.268 20.784 -16.213 1.00 3.10 H new ATOM 0 HB3 HIS A 115 27.603 20.067 -17.094 1.00 3.10 H new ATOM 0 HD2 HIS A 115 23.782 19.213 -16.442 1.00 23.22 H new ATOM 0 HE1 HIS A 115 25.030 17.430 -20.079 1.00 61.23 H new ATOM 0 HE2 HIS A 115 23.049 17.861 -18.546 1.00 63.43 H new ATOM 1839 N HIS A 116 29.519 19.457 -14.835 1.00 61.33 N ATOM 1840 CA HIS A 116 30.682 20.159 -14.277 1.00 60.13 C ATOM 1841 C HIS A 116 31.145 21.294 -15.214 1.00 3.34 C ATOM 1842 O HIS A 116 31.837 21.004 -16.216 1.00 38.40 O ATOM 1843 CB HIS A 116 31.827 19.169 -14.022 1.00 52.35 C ATOM 1844 CG HIS A 116 33.051 19.803 -13.431 1.00 54.33 C ATOM 1845 ND1 HIS A 116 33.116 20.246 -12.126 1.00 63.14 N ATOM 1846 CD2 HIS A 116 34.261 20.078 -13.974 1.00 32.34 C ATOM 1847 CE1 HIS A 116 34.306 20.762 -11.895 1.00 73.41 C ATOM 1848 NE2 HIS A 116 35.018 20.673 -12.998 1.00 61.21 N ATOM 1849 OXT HIS A 116 30.809 22.470 -14.947 1.00 38.40 O ATOM 0 H HIS A 116 29.752 18.677 -15.450 1.00 61.33 H new ATOM 0 HA HIS A 116 30.388 20.607 -13.328 1.00 60.13 H new ATOM 0 HB2 HIS A 116 31.475 18.385 -13.352 1.00 52.35 H new ATOM 0 HB3 HIS A 116 32.096 18.688 -14.962 1.00 52.35 H new ATOM 0 HD2 HIS A 116 34.572 19.868 -14.987 1.00 32.34 H new ATOM 0 HE1 HIS A 116 34.640 21.186 -10.960 1.00 73.41 H new ATOM 0 HE2 HIS A 116 35.979 20.995 -13.109 1.00 61.21 H new TER 1858 HIS A 116