USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1084 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 Single : A 3 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.1) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= 1.22 (180deg=-1.75) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 29 THR OG1 : rot -142:sc= -0.958 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0151) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00616 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -71:sc= -0.431! USER MOD Single : A 41 GLN :FLIP amide:sc= -1.33 F(o=-4.3!,f=-1.3) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.366 F(o=-1.3!,f=-0.37) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0243 F(o=-0.55,f=-0.024) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 62 THR OG1 : rot 61:sc= 0.107 USER MOD Single : A 70 THR OG1 : rot -104:sc= -0.468 USER MOD Single : A 71 MET CE :methyl -139:sc= -0.169 (180deg=-2.01!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.0147 (180deg=-0.285) USER MOD Single : A 97 ASN :FLIP amide:sc= -8.51! C(o=-19!,f=-8.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 73:sc= -0.907 USER MOD Single : A 111 ASN : amide:sc= -6.16! C(o=-6.2!,f=-12!) USER MOD Single : A 115 LYS NZ :NH3+ 146:sc= -0.236 (180deg=-1.12!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00724 USER MOD Single : A 124 MET CE :methyl 156:sc= -0.24 (180deg=-0.323) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 137 ASN : amide:sc= -4.77! C(o=-4.8!,f=-4.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot -61:sc= 0.32! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 51.995 -16.340 14.315 1.00 20.16 N ATOM 2 CA GLN A 3 50.670 -15.924 13.870 1.00 19.97 C ATOM 3 C GLN A 3 50.730 -15.375 12.448 1.00 17.59 C ATOM 4 O GLN A 3 50.033 -15.857 11.556 1.00 19.14 O ATOM 5 CB GLN A 3 50.116 -14.852 14.811 1.00 20.20 C ATOM 6 CG GLN A 3 49.488 -15.521 16.034 1.00 23.46 C ATOM 7 CD GLN A 3 48.275 -16.343 15.614 1.00 22.58 C ATOM 8 OE1 GLN A 3 47.720 -16.126 14.536 1.00 23.20 O ATOM 9 NE2 GLN A 3 47.827 -17.280 16.404 1.00 23.18 N ATOM 0 HA GLN A 3 50.013 -16.794 13.884 1.00 19.97 H new ATOM 0 HB2 GLN A 3 50.914 -14.178 15.122 1.00 20.20 H new ATOM 0 HB3 GLN A 3 49.372 -14.247 14.292 1.00 20.20 H new ATOM 0 HG2 GLN A 3 50.220 -16.163 16.524 1.00 23.46 H new ATOM 0 HG3 GLN A 3 49.191 -14.764 16.760 1.00 23.46 H new ATOM 0 HE21 GLN A 3 48.288 -17.458 17.296 1.00 23.18 H new ATOM 0 HE22 GLN A 3 47.016 -17.834 16.129 1.00 23.18 H new ATOM 18 N LEU A 4 51.568 -14.363 12.245 1.00 13.49 N ATOM 19 CA LEU A 4 51.710 -13.756 10.927 1.00 12.54 C ATOM 20 C LEU A 4 52.598 -14.616 10.033 1.00 9.75 C ATOM 21 O LEU A 4 53.717 -14.966 10.407 1.00 11.53 O ATOM 22 CB LEU A 4 52.318 -12.358 11.059 1.00 12.03 C ATOM 23 CG LEU A 4 51.597 -11.396 10.113 1.00 14.38 C ATOM 24 CD1 LEU A 4 50.298 -10.916 10.765 1.00 12.06 C ATOM 25 CD2 LEU A 4 52.497 -10.192 9.828 1.00 13.89 C ATOM 0 H LEU A 4 52.154 -13.949 12.970 1.00 13.49 H new ATOM 0 HA LEU A 4 50.721 -13.682 10.474 1.00 12.54 H new ATOM 0 HB2 LEU A 4 52.230 -12.007 12.087 1.00 12.03 H new ATOM 0 HB3 LEU A 4 53.382 -12.389 10.822 1.00 12.03 H new ATOM 0 HG LEU A 4 51.367 -11.909 9.179 1.00 14.38 H new ATOM 0 HD11 LEU A 4 49.784 -10.231 10.091 1.00 12.06 H new ATOM 0 HD12 LEU A 4 49.656 -11.772 10.970 1.00 12.06 H new ATOM 0 HD13 LEU A 4 50.528 -10.403 11.699 1.00 12.06 H new ATOM 0 HD21 LEU A 4 51.984 -9.506 9.154 1.00 13.89 H new ATOM 0 HD22 LEU A 4 52.726 -9.680 10.762 1.00 13.89 H new ATOM 0 HD23 LEU A 4 53.423 -10.532 9.364 1.00 13.89 H new ATOM 37 N THR A 5 52.090 -14.954 8.853 1.00 7.34 N ATOM 38 CA THR A 5 52.845 -15.774 7.913 1.00 2.31 C ATOM 39 C THR A 5 53.930 -14.947 7.231 1.00 2.00 C ATOM 40 O THR A 5 53.819 -13.726 7.126 1.00 2.00 O ATOM 41 CB THR A 5 51.905 -16.359 6.856 1.00 2.00 C ATOM 42 OG1 THR A 5 50.748 -16.883 7.493 1.00 2.35 O ATOM 43 CG2 THR A 5 52.620 -17.476 6.094 1.00 2.65 C ATOM 0 H THR A 5 51.165 -14.675 8.526 1.00 7.34 H new ATOM 0 HA THR A 5 53.317 -16.585 8.467 1.00 2.31 H new ATOM 0 HB THR A 5 51.613 -15.576 6.156 1.00 2.00 H new ATOM 0 HG1 THR A 5 50.144 -17.257 6.818 1.00 2.35 H new ATOM 0 HG21 THR A 5 51.949 -17.891 5.342 1.00 2.65 H new ATOM 0 HG22 THR A 5 53.507 -17.073 5.606 1.00 2.65 H new ATOM 0 HG23 THR A 5 52.914 -18.261 6.791 1.00 2.65 H new ATOM 51 N GLU A 6 54.978 -15.621 6.769 1.00 2.00 N ATOM 52 CA GLU A 6 56.078 -14.938 6.098 1.00 2.00 C ATOM 53 C GLU A 6 55.553 -14.060 4.967 1.00 2.00 C ATOM 54 O GLU A 6 55.942 -12.899 4.839 1.00 2.00 O ATOM 55 CB GLU A 6 57.064 -15.964 5.535 1.00 2.00 C ATOM 56 CG GLU A 6 56.300 -17.208 5.076 1.00 2.39 C ATOM 57 CD GLU A 6 57.056 -17.895 3.944 1.00 7.12 C ATOM 58 OE1 GLU A 6 58.162 -17.470 3.653 1.00 4.58 O ATOM 59 OE2 GLU A 6 56.517 -18.835 3.383 1.00 2.00 O ATOM 0 H GLU A 6 55.089 -16.632 6.846 1.00 2.00 H new ATOM 0 HA GLU A 6 56.587 -14.307 6.826 1.00 2.00 H new ATOM 0 HB2 GLU A 6 57.615 -15.534 4.699 1.00 2.00 H new ATOM 0 HB3 GLU A 6 57.797 -16.234 6.295 1.00 2.00 H new ATOM 0 HG2 GLU A 6 56.175 -17.897 5.911 1.00 2.39 H new ATOM 0 HG3 GLU A 6 55.301 -16.929 4.741 1.00 2.39 H new ATOM 66 N GLU A 7 54.668 -14.622 4.151 1.00 2.00 N ATOM 67 CA GLU A 7 54.096 -13.879 3.033 1.00 2.00 C ATOM 68 C GLU A 7 53.524 -12.549 3.511 1.00 2.00 C ATOM 69 O GLU A 7 53.455 -11.583 2.751 1.00 2.00 O ATOM 70 CB GLU A 7 52.991 -14.704 2.369 1.00 2.00 C ATOM 71 CG GLU A 7 53.583 -16.004 1.822 1.00 2.00 C ATOM 72 CD GLU A 7 52.478 -16.868 1.223 1.00 6.50 C ATOM 73 OE1 GLU A 7 51.969 -17.720 1.932 1.00 4.99 O ATOM 74 OE2 GLU A 7 52.157 -16.664 0.064 1.00 6.85 O ATOM 0 H GLU A 7 54.333 -15.581 4.241 1.00 2.00 H new ATOM 0 HA GLU A 7 54.887 -13.682 2.309 1.00 2.00 H new ATOM 0 HB2 GLU A 7 52.205 -14.925 3.090 1.00 2.00 H new ATOM 0 HB3 GLU A 7 52.532 -14.133 1.562 1.00 2.00 H new ATOM 0 HG2 GLU A 7 54.333 -15.781 1.063 1.00 2.00 H new ATOM 0 HG3 GLU A 7 54.089 -16.547 2.620 1.00 2.00 H new ATOM 81 N GLN A 8 53.115 -12.506 4.775 1.00 2.00 N ATOM 82 CA GLN A 8 52.549 -11.288 5.344 1.00 2.00 C ATOM 83 C GLN A 8 53.643 -10.434 5.976 1.00 2.00 C ATOM 84 O GLN A 8 53.718 -9.229 5.739 1.00 2.26 O ATOM 85 CB GLN A 8 51.501 -11.643 6.400 1.00 2.98 C ATOM 86 CG GLN A 8 50.124 -11.739 5.740 1.00 3.96 C ATOM 87 CD GLN A 8 49.101 -12.263 6.743 1.00 6.08 C ATOM 88 OE1 GLN A 8 48.875 -11.644 7.782 1.00 7.35 O ATOM 89 NE2 GLN A 8 48.466 -13.375 6.491 1.00 15.10 N ATOM 0 H GLN A 8 53.164 -13.294 5.421 1.00 2.00 H new ATOM 0 HA GLN A 8 52.078 -10.719 4.542 1.00 2.00 H new ATOM 0 HB2 GLN A 8 51.755 -12.590 6.876 1.00 2.98 H new ATOM 0 HB3 GLN A 8 51.488 -10.886 7.184 1.00 2.98 H new ATOM 0 HG2 GLN A 8 49.818 -10.759 5.374 1.00 3.96 H new ATOM 0 HG3 GLN A 8 50.171 -12.402 4.876 1.00 3.96 H new ATOM 0 HE21 GLN A 8 48.655 -13.886 5.629 1.00 15.10 H new ATOM 0 HE22 GLN A 8 47.780 -13.733 7.156 1.00 15.10 H new ATOM 98 N ILE A 9 54.490 -11.067 6.782 1.00 2.00 N ATOM 99 CA ILE A 9 55.576 -10.355 7.444 1.00 2.00 C ATOM 100 C ILE A 9 56.468 -9.664 6.417 1.00 3.62 C ATOM 101 O ILE A 9 57.030 -8.602 6.684 1.00 2.00 O ATOM 102 CB ILE A 9 56.412 -11.330 8.274 1.00 2.16 C ATOM 103 CG1 ILE A 9 55.505 -12.056 9.271 1.00 2.00 C ATOM 104 CG2 ILE A 9 57.490 -10.559 9.037 1.00 4.72 C ATOM 105 CD1 ILE A 9 56.280 -13.199 9.929 1.00 2.00 C ATOM 0 H ILE A 9 54.446 -12.064 6.991 1.00 2.00 H new ATOM 0 HA ILE A 9 55.143 -9.600 8.100 1.00 2.00 H new ATOM 0 HB ILE A 9 56.885 -12.056 7.613 1.00 2.16 H new ATOM 0 HG12 ILE A 9 55.150 -11.359 10.030 1.00 2.00 H new ATOM 0 HG13 ILE A 9 54.625 -12.446 8.760 1.00 2.00 H new ATOM 0 HG21 ILE A 9 58.085 -11.255 9.628 1.00 4.72 H new ATOM 0 HG22 ILE A 9 58.136 -10.040 8.329 1.00 4.72 H new ATOM 0 HG23 ILE A 9 57.018 -9.832 9.698 1.00 4.72 H new ATOM 0 HD11 ILE A 9 55.634 -13.716 10.639 1.00 2.00 H new ATOM 0 HD12 ILE A 9 56.613 -13.901 9.164 1.00 2.00 H new ATOM 0 HD13 ILE A 9 57.146 -12.796 10.454 1.00 2.00 H new ATOM 117 N ALA A 10 56.594 -10.275 5.244 1.00 5.09 N ATOM 118 CA ALA A 10 57.422 -9.708 4.185 1.00 5.63 C ATOM 119 C ALA A 10 56.752 -8.478 3.582 1.00 4.82 C ATOM 120 O ALA A 10 57.309 -7.381 3.608 1.00 4.15 O ATOM 121 CB ALA A 10 57.657 -10.751 3.091 1.00 6.68 C ATOM 0 H ALA A 10 56.138 -11.155 5.003 1.00 5.09 H new ATOM 0 HA ALA A 10 58.378 -9.412 4.616 1.00 5.63 H new ATOM 0 HB1 ALA A 10 58.276 -10.320 2.304 1.00 6.68 H new ATOM 0 HB2 ALA A 10 58.163 -11.617 3.517 1.00 6.68 H new ATOM 0 HB3 ALA A 10 56.700 -11.060 2.671 1.00 6.68 H new ATOM 127 N GLU A 11 55.553 -8.668 3.040 1.00 2.54 N ATOM 128 CA GLU A 11 54.817 -7.565 2.432 1.00 3.13 C ATOM 129 C GLU A 11 54.859 -6.333 3.331 1.00 5.12 C ATOM 130 O GLU A 11 54.996 -5.208 2.851 1.00 4.53 O ATOM 131 CB GLU A 11 53.363 -7.977 2.194 1.00 2.38 C ATOM 132 CG GLU A 11 52.668 -6.922 1.332 1.00 4.44 C ATOM 133 CD GLU A 11 53.373 -6.803 -0.015 1.00 7.86 C ATOM 134 OE1 GLU A 11 53.176 -7.677 -0.844 1.00 9.34 O ATOM 135 OE2 GLU A 11 54.100 -5.840 -0.199 1.00 18.49 O ATOM 0 H GLU A 11 55.074 -9.568 3.009 1.00 2.54 H new ATOM 0 HA GLU A 11 55.286 -7.321 1.479 1.00 3.13 H new ATOM 0 HB2 GLU A 11 53.325 -8.948 1.700 1.00 2.38 H new ATOM 0 HB3 GLU A 11 52.844 -8.084 3.146 1.00 2.38 H new ATOM 0 HG2 GLU A 11 51.623 -7.194 1.182 1.00 4.44 H new ATOM 0 HG3 GLU A 11 52.677 -5.959 1.843 1.00 4.44 H new ATOM 142 N PHE A 12 54.739 -6.554 4.636 1.00 3.94 N ATOM 143 CA PHE A 12 54.765 -5.452 5.591 1.00 5.41 C ATOM 144 C PHE A 12 56.117 -4.747 5.560 1.00 3.84 C ATOM 145 O PHE A 12 56.187 -3.518 5.558 1.00 4.14 O ATOM 146 CB PHE A 12 54.494 -5.978 7.002 1.00 4.97 C ATOM 147 CG PHE A 12 53.023 -5.846 7.315 1.00 7.97 C ATOM 148 CD1 PHE A 12 52.412 -4.587 7.289 1.00 13.16 C ATOM 149 CD2 PHE A 12 52.270 -6.983 7.632 1.00 11.29 C ATOM 150 CE1 PHE A 12 51.048 -4.464 7.579 1.00 14.89 C ATOM 151 CE2 PHE A 12 50.906 -6.860 7.922 1.00 13.52 C ATOM 152 CZ PHE A 12 50.295 -5.601 7.896 1.00 12.41 C ATOM 0 H PHE A 12 54.624 -7.477 5.054 1.00 3.94 H new ATOM 0 HA PHE A 12 53.990 -4.738 5.314 1.00 5.41 H new ATOM 0 HB2 PHE A 12 54.801 -7.021 7.078 1.00 4.97 H new ATOM 0 HB3 PHE A 12 55.083 -5.419 7.729 1.00 4.97 H new ATOM 0 HD1 PHE A 12 52.993 -3.710 7.045 1.00 13.16 H new ATOM 0 HD2 PHE A 12 52.741 -7.955 7.653 1.00 11.29 H new ATOM 0 HE1 PHE A 12 50.577 -3.492 7.558 1.00 14.89 H new ATOM 0 HE2 PHE A 12 50.325 -7.737 8.166 1.00 13.52 H new ATOM 0 HZ PHE A 12 49.243 -5.507 8.120 1.00 12.41 H new ATOM 162 N LYS A 13 57.188 -5.534 5.534 1.00 4.24 N ATOM 163 CA LYS A 13 58.534 -4.973 5.501 1.00 5.23 C ATOM 164 C LYS A 13 58.635 -3.884 4.438 1.00 4.55 C ATOM 165 O LYS A 13 59.383 -2.919 4.594 1.00 2.18 O ATOM 166 CB LYS A 13 59.552 -6.076 5.203 1.00 7.96 C ATOM 167 CG LYS A 13 60.963 -5.485 5.212 1.00 10.74 C ATOM 168 CD LYS A 13 61.979 -6.594 5.493 1.00 12.48 C ATOM 169 CE LYS A 13 62.098 -6.808 7.003 1.00 16.63 C ATOM 170 NZ LYS A 13 62.709 -5.601 7.629 1.00 18.39 N ATOM 0 H LYS A 13 57.151 -6.553 5.535 1.00 4.24 H new ATOM 0 HA LYS A 13 58.749 -4.534 6.475 1.00 5.23 H new ATOM 0 HB2 LYS A 13 59.474 -6.868 5.947 1.00 7.96 H new ATOM 0 HB3 LYS A 13 59.342 -6.527 4.233 1.00 7.96 H new ATOM 0 HG2 LYS A 13 61.178 -5.015 4.252 1.00 10.74 H new ATOM 0 HG3 LYS A 13 61.038 -4.707 5.972 1.00 10.74 H new ATOM 0 HD2 LYS A 13 61.667 -7.519 5.008 1.00 12.48 H new ATOM 0 HD3 LYS A 13 62.950 -6.327 5.075 1.00 12.48 H new ATOM 0 HE2 LYS A 13 61.114 -6.995 7.433 1.00 16.63 H new ATOM 0 HE3 LYS A 13 62.709 -7.687 7.210 1.00 16.63 H new ATOM 0 HZ1 LYS A 13 63.527 -5.885 8.205 1.00 18.39 H new ATOM 0 HZ2 LYS A 13 63.021 -4.944 6.885 1.00 18.39 H new ATOM 0 HZ3 LYS A 13 62.006 -5.130 8.234 1.00 18.39 H new ATOM 184 N GLU A 14 57.877 -4.046 3.358 1.00 5.40 N ATOM 185 CA GLU A 14 57.889 -3.070 2.275 1.00 5.67 C ATOM 186 C GLU A 14 57.302 -1.742 2.743 1.00 6.21 C ATOM 187 O GLU A 14 57.914 -0.688 2.571 1.00 5.40 O ATOM 188 CB GLU A 14 57.080 -3.598 1.088 1.00 7.02 C ATOM 189 CG GLU A 14 57.837 -3.318 -0.211 1.00 9.36 C ATOM 190 CD GLU A 14 58.016 -1.815 -0.397 1.00 16.81 C ATOM 191 OE1 GLU A 14 59.082 -1.320 -0.069 1.00 18.47 O ATOM 192 OE2 GLU A 14 57.085 -1.181 -0.865 1.00 22.76 O ATOM 0 H GLU A 14 57.251 -4.838 3.210 1.00 5.40 H new ATOM 0 HA GLU A 14 58.922 -2.909 1.968 1.00 5.67 H new ATOM 0 HB2 GLU A 14 56.909 -4.669 1.198 1.00 7.02 H new ATOM 0 HB3 GLU A 14 56.101 -3.120 1.061 1.00 7.02 H new ATOM 0 HG2 GLU A 14 58.810 -3.808 -0.187 1.00 9.36 H new ATOM 0 HG3 GLU A 14 57.291 -3.735 -1.057 1.00 9.36 H new ATOM 199 N ALA A 15 56.114 -1.801 3.335 1.00 5.16 N ATOM 200 CA ALA A 15 55.455 -0.596 3.824 1.00 5.07 C ATOM 201 C ALA A 15 56.444 0.286 4.579 1.00 5.10 C ATOM 202 O ALA A 15 56.524 1.491 4.341 1.00 5.67 O ATOM 203 CB ALA A 15 54.295 -0.972 4.747 1.00 5.43 C ATOM 0 H ALA A 15 55.591 -2.663 3.487 1.00 5.16 H new ATOM 0 HA ALA A 15 55.071 -0.042 2.968 1.00 5.07 H new ATOM 0 HB1 ALA A 15 53.808 -0.066 5.108 1.00 5.43 H new ATOM 0 HB2 ALA A 15 53.574 -1.577 4.197 1.00 5.43 H new ATOM 0 HB3 ALA A 15 54.675 -1.542 5.595 1.00 5.43 H new ATOM 209 N PHE A 16 57.195 -0.323 5.490 1.00 4.72 N ATOM 210 CA PHE A 16 58.177 0.417 6.275 1.00 6.21 C ATOM 211 C PHE A 16 59.061 1.263 5.364 1.00 7.11 C ATOM 212 O PHE A 16 59.100 2.487 5.483 1.00 4.60 O ATOM 213 CB PHE A 16 59.047 -0.556 7.074 1.00 6.80 C ATOM 214 CG PHE A 16 59.124 -0.106 8.514 1.00 5.05 C ATOM 215 CD1 PHE A 16 60.371 0.071 9.126 1.00 6.58 C ATOM 216 CD2 PHE A 16 57.950 0.135 9.236 1.00 10.31 C ATOM 217 CE1 PHE A 16 60.443 0.488 10.461 1.00 4.50 C ATOM 218 CE2 PHE A 16 58.021 0.553 10.571 1.00 10.06 C ATOM 219 CZ PHE A 16 59.268 0.729 11.183 1.00 13.28 C ATOM 0 H PHE A 16 57.144 -1.319 5.702 1.00 4.72 H new ATOM 0 HA PHE A 16 57.645 1.076 6.962 1.00 6.21 H new ATOM 0 HB2 PHE A 16 58.630 -1.561 7.019 1.00 6.80 H new ATOM 0 HB3 PHE A 16 60.047 -0.602 6.643 1.00 6.80 H new ATOM 0 HD1 PHE A 16 61.277 -0.114 8.568 1.00 6.58 H new ATOM 0 HD2 PHE A 16 56.988 -0.001 8.764 1.00 10.31 H new ATOM 0 HE1 PHE A 16 61.405 0.624 10.933 1.00 4.50 H new ATOM 0 HE2 PHE A 16 57.115 0.739 11.128 1.00 10.06 H new ATOM 0 HZ PHE A 16 59.323 1.051 12.212 1.00 13.28 H new ATOM 229 N SER A 17 59.768 0.601 4.454 1.00 6.98 N ATOM 230 CA SER A 17 60.648 1.303 3.527 1.00 7.97 C ATOM 231 C SER A 17 59.928 2.496 2.908 1.00 7.13 C ATOM 232 O SER A 17 60.562 3.435 2.425 1.00 8.83 O ATOM 233 CB SER A 17 61.107 0.352 2.421 1.00 10.21 C ATOM 234 OG SER A 17 61.243 1.076 1.206 1.00 12.16 O ATOM 0 H SER A 17 59.750 -0.412 4.339 1.00 6.98 H new ATOM 0 HA SER A 17 61.516 1.662 4.080 1.00 7.97 H new ATOM 0 HB2 SER A 17 62.057 -0.108 2.692 1.00 10.21 H new ATOM 0 HB3 SER A 17 60.386 -0.456 2.298 1.00 10.21 H new ATOM 0 HG SER A 17 61.539 0.470 0.495 1.00 12.16 H new ATOM 240 N LEU A 18 58.600 2.453 2.927 1.00 7.48 N ATOM 241 CA LEU A 18 57.802 3.537 2.366 1.00 9.00 C ATOM 242 C LEU A 18 57.817 4.747 3.294 1.00 7.93 C ATOM 243 O LEU A 18 57.852 5.890 2.838 1.00 6.26 O ATOM 244 CB LEU A 18 56.360 3.070 2.156 1.00 10.08 C ATOM 245 CG LEU A 18 55.862 3.548 0.791 1.00 14.78 C ATOM 246 CD1 LEU A 18 56.024 5.066 0.691 1.00 17.89 C ATOM 247 CD2 LEU A 18 56.680 2.875 -0.313 1.00 15.78 C ATOM 0 H LEU A 18 58.057 1.685 3.322 1.00 7.48 H new ATOM 0 HA LEU A 18 58.234 3.823 1.407 1.00 9.00 H new ATOM 0 HB2 LEU A 18 56.307 1.983 2.214 1.00 10.08 H new ATOM 0 HB3 LEU A 18 55.721 3.463 2.946 1.00 10.08 H new ATOM 0 HG LEU A 18 54.810 3.287 0.676 1.00 14.78 H new ATOM 0 HD11 LEU A 18 55.669 5.406 -0.282 1.00 17.89 H new ATOM 0 HD12 LEU A 18 55.443 5.547 1.478 1.00 17.89 H new ATOM 0 HD13 LEU A 18 57.076 5.328 0.805 1.00 17.89 H new ATOM 0 HD21 LEU A 18 56.326 3.215 -1.286 1.00 15.78 H new ATOM 0 HD22 LEU A 18 57.732 3.137 -0.198 1.00 15.78 H new ATOM 0 HD23 LEU A 18 56.566 1.793 -0.243 1.00 15.78 H new ATOM 259 N PHE A 19 57.791 4.488 4.597 1.00 6.61 N ATOM 260 CA PHE A 19 57.803 5.565 5.580 1.00 3.44 C ATOM 261 C PHE A 19 59.235 5.925 5.964 1.00 5.51 C ATOM 262 O PHE A 19 59.617 7.095 5.947 1.00 6.11 O ATOM 263 CB PHE A 19 57.029 5.141 6.830 1.00 4.01 C ATOM 264 CG PHE A 19 55.547 5.272 6.573 1.00 2.30 C ATOM 265 CD1 PHE A 19 54.916 6.511 6.733 1.00 6.71 C ATOM 266 CD2 PHE A 19 54.804 4.154 6.174 1.00 9.14 C ATOM 267 CE1 PHE A 19 53.541 6.632 6.494 1.00 6.83 C ATOM 268 CE2 PHE A 19 53.430 4.275 5.936 1.00 7.38 C ATOM 269 CZ PHE A 19 52.798 5.515 6.096 1.00 6.43 C ATOM 0 H PHE A 19 57.762 3.549 4.995 1.00 6.61 H new ATOM 0 HA PHE A 19 57.327 6.440 5.137 1.00 3.44 H new ATOM 0 HB2 PHE A 19 57.274 4.111 7.091 1.00 4.01 H new ATOM 0 HB3 PHE A 19 57.318 5.762 7.678 1.00 4.01 H new ATOM 0 HD1 PHE A 19 55.489 7.373 7.041 1.00 6.71 H new ATOM 0 HD2 PHE A 19 55.291 3.198 6.050 1.00 9.14 H new ATOM 0 HE1 PHE A 19 53.054 7.588 6.617 1.00 6.83 H new ATOM 0 HE2 PHE A 19 52.857 3.412 5.629 1.00 7.38 H new ATOM 0 HZ PHE A 19 51.738 5.609 5.912 1.00 6.43 H new ATOM 279 N ASP A 20 60.022 4.911 6.311 1.00 4.53 N ATOM 280 CA ASP A 20 61.411 5.133 6.698 1.00 5.06 C ATOM 281 C ASP A 20 62.289 5.313 5.464 1.00 5.41 C ATOM 282 O ASP A 20 63.054 4.421 5.098 1.00 7.47 O ATOM 283 CB ASP A 20 61.920 3.947 7.520 1.00 3.50 C ATOM 284 CG ASP A 20 63.218 4.322 8.227 1.00 5.29 C ATOM 285 OD1 ASP A 20 63.526 3.696 9.228 1.00 4.70 O ATOM 286 OD2 ASP A 20 63.885 5.230 7.757 1.00 4.96 O ATOM 0 H ASP A 20 59.725 3.935 6.332 1.00 4.53 H new ATOM 0 HA ASP A 20 61.460 6.040 7.300 1.00 5.06 H new ATOM 0 HB2 ASP A 20 61.169 3.653 8.253 1.00 3.50 H new ATOM 0 HB3 ASP A 20 62.085 3.088 6.870 1.00 3.50 H new ATOM 291 N LYS A 21 62.172 6.473 4.825 1.00 8.35 N ATOM 292 CA LYS A 21 62.959 6.760 3.632 1.00 9.30 C ATOM 293 C LYS A 21 64.429 6.426 3.863 1.00 10.49 C ATOM 294 O LYS A 21 65.186 6.226 2.913 1.00 12.20 O ATOM 295 CB LYS A 21 62.823 8.238 3.260 1.00 10.83 C ATOM 296 CG LYS A 21 62.683 8.372 1.742 1.00 18.65 C ATOM 297 CD LYS A 21 62.746 9.851 1.352 1.00 23.74 C ATOM 298 CE LYS A 21 63.742 10.035 0.207 1.00 21.90 C ATOM 299 NZ LYS A 21 63.422 11.288 -0.533 1.00 27.75 N ATOM 0 H LYS A 21 61.544 7.224 5.111 1.00 8.35 H new ATOM 0 HA LYS A 21 62.583 6.143 2.816 1.00 9.30 H new ATOM 0 HB2 LYS A 21 61.954 8.670 3.756 1.00 10.83 H new ATOM 0 HB3 LYS A 21 63.695 8.793 3.606 1.00 10.83 H new ATOM 0 HG2 LYS A 21 63.479 7.819 1.243 1.00 18.65 H new ATOM 0 HG3 LYS A 21 61.739 7.938 1.414 1.00 18.65 H new ATOM 0 HD2 LYS A 21 61.759 10.200 1.049 1.00 23.74 H new ATOM 0 HD3 LYS A 21 63.047 10.452 2.210 1.00 23.74 H new ATOM 0 HE2 LYS A 21 64.758 10.081 0.599 1.00 21.90 H new ATOM 0 HE3 LYS A 21 63.699 9.180 -0.468 1.00 21.90 H new ATOM 0 HZ1 LYS A 21 64.099 11.414 -1.312 1.00 27.75 H new ATOM 0 HZ2 LYS A 21 62.458 11.227 -0.919 1.00 27.75 H new ATOM 0 HZ3 LYS A 21 63.485 12.099 0.115 1.00 27.75 H new ATOM 313 N ASP A 22 64.827 6.366 5.130 1.00 10.35 N ATOM 314 CA ASP A 22 66.211 6.055 5.470 1.00 9.98 C ATOM 315 C ASP A 22 66.364 4.572 5.790 1.00 10.21 C ATOM 316 O ASP A 22 67.478 4.048 5.828 1.00 10.63 O ATOM 317 CB ASP A 22 66.652 6.888 6.675 1.00 11.16 C ATOM 318 CG ASP A 22 66.392 8.367 6.410 1.00 11.39 C ATOM 319 OD1 ASP A 22 66.250 9.105 7.371 1.00 8.03 O ATOM 320 OD2 ASP A 22 66.339 8.740 5.250 1.00 14.13 O ATOM 0 H ASP A 22 64.217 6.527 5.932 1.00 10.35 H new ATOM 0 HA ASP A 22 66.839 6.296 4.613 1.00 9.98 H new ATOM 0 HB2 ASP A 22 66.111 6.569 7.566 1.00 11.16 H new ATOM 0 HB3 ASP A 22 67.712 6.726 6.871 1.00 11.16 H new ATOM 325 N GLY A 23 65.241 3.901 6.021 1.00 8.93 N ATOM 326 CA GLY A 23 65.264 2.478 6.338 1.00 9.95 C ATOM 327 C GLY A 23 66.155 2.203 7.545 1.00 11.51 C ATOM 328 O GLY A 23 66.818 1.169 7.616 1.00 10.61 O ATOM 0 H GLY A 23 64.310 4.316 5.995 1.00 8.93 H new ATOM 0 HA2 GLY A 23 64.251 2.130 6.542 1.00 9.95 H new ATOM 0 HA3 GLY A 23 65.627 1.916 5.478 1.00 9.95 H new ATOM 332 N ASP A 24 66.164 3.136 8.491 1.00 11.42 N ATOM 333 CA ASP A 24 66.977 2.984 9.692 1.00 12.12 C ATOM 334 C ASP A 24 66.404 1.897 10.596 1.00 11.09 C ATOM 335 O ASP A 24 67.097 1.370 11.465 1.00 11.16 O ATOM 336 CB ASP A 24 67.033 4.308 10.456 1.00 12.48 C ATOM 337 CG ASP A 24 68.021 5.256 9.785 1.00 11.83 C ATOM 338 OD1 ASP A 24 67.783 6.452 9.822 1.00 10.91 O ATOM 339 OD2 ASP A 24 69.002 4.772 9.245 1.00 14.28 O ATOM 0 H ASP A 24 65.622 3.999 8.450 1.00 11.42 H new ATOM 0 HA ASP A 24 67.984 2.695 9.390 1.00 12.12 H new ATOM 0 HB2 ASP A 24 66.043 4.763 10.485 1.00 12.48 H new ATOM 0 HB3 ASP A 24 67.332 4.129 11.489 1.00 12.48 H new ATOM 344 N GLY A 25 65.134 1.567 10.384 1.00 9.38 N ATOM 345 CA GLY A 25 64.478 0.541 11.186 1.00 9.47 C ATOM 346 C GLY A 25 63.519 1.167 12.192 1.00 7.97 C ATOM 347 O GLY A 25 62.905 0.467 12.997 1.00 6.95 O ATOM 0 H GLY A 25 64.543 1.991 9.669 1.00 9.38 H new ATOM 0 HA2 GLY A 25 63.933 -0.142 10.535 1.00 9.47 H new ATOM 0 HA3 GLY A 25 65.228 -0.050 11.712 1.00 9.47 H new ATOM 351 N THR A 26 63.396 2.489 12.142 1.00 7.17 N ATOM 352 CA THR A 26 62.508 3.199 13.055 1.00 8.21 C ATOM 353 C THR A 26 61.889 4.410 12.366 1.00 8.10 C ATOM 354 O THR A 26 62.564 5.133 11.633 1.00 7.63 O ATOM 355 CB THR A 26 63.286 3.655 14.291 1.00 11.49 C ATOM 356 OG1 THR A 26 64.303 4.567 13.899 1.00 16.41 O ATOM 357 CG2 THR A 26 63.921 2.442 14.973 1.00 11.35 C ATOM 0 H THR A 26 63.896 3.087 11.484 1.00 7.17 H new ATOM 0 HA THR A 26 61.711 2.520 13.358 1.00 8.21 H new ATOM 0 HB THR A 26 62.606 4.146 14.988 1.00 11.49 H new ATOM 0 HG1 THR A 26 64.801 4.861 14.690 1.00 16.41 H new ATOM 0 HG21 THR A 26 64.475 2.768 15.853 1.00 11.35 H new ATOM 0 HG22 THR A 26 63.140 1.744 15.274 1.00 11.35 H new ATOM 0 HG23 THR A 26 64.601 1.949 14.279 1.00 11.35 H new ATOM 365 N ILE A 27 60.599 4.626 12.606 1.00 6.76 N ATOM 366 CA ILE A 27 59.899 5.754 12.003 1.00 3.01 C ATOM 367 C ILE A 27 59.802 6.914 12.989 1.00 4.61 C ATOM 368 O ILE A 27 59.317 6.751 14.109 1.00 4.59 O ATOM 369 CB ILE A 27 58.494 5.328 11.574 1.00 4.15 C ATOM 370 CG1 ILE A 27 58.597 4.299 10.446 1.00 8.03 C ATOM 371 CG2 ILE A 27 57.718 6.549 11.078 1.00 6.87 C ATOM 372 CD1 ILE A 27 57.203 3.764 10.112 1.00 5.23 C ATOM 0 H ILE A 27 60.022 4.040 13.209 1.00 6.76 H new ATOM 0 HA ILE A 27 60.462 6.081 11.129 1.00 3.01 H new ATOM 0 HB ILE A 27 57.973 4.888 12.424 1.00 4.15 H new ATOM 0 HG12 ILE A 27 59.044 4.756 9.563 1.00 8.03 H new ATOM 0 HG13 ILE A 27 59.250 3.479 10.746 1.00 8.03 H new ATOM 0 HG21 ILE A 27 56.717 6.244 10.773 1.00 6.87 H new ATOM 0 HG22 ILE A 27 57.645 7.284 11.880 1.00 6.87 H new ATOM 0 HG23 ILE A 27 58.238 6.990 10.228 1.00 6.87 H new ATOM 0 HD11 ILE A 27 57.277 3.031 9.309 1.00 5.23 H new ATOM 0 HD12 ILE A 27 56.773 3.292 10.995 1.00 5.23 H new ATOM 0 HD13 ILE A 27 56.564 4.588 9.794 1.00 5.23 H new ATOM 384 N THR A 28 60.267 8.084 12.565 1.00 5.54 N ATOM 385 CA THR A 28 60.229 9.266 13.420 1.00 5.59 C ATOM 386 C THR A 28 59.054 10.163 13.043 1.00 4.18 C ATOM 387 O THR A 28 58.342 9.896 12.074 1.00 3.04 O ATOM 388 CB THR A 28 61.536 10.050 13.285 1.00 7.09 C ATOM 389 OG1 THR A 28 61.527 10.775 12.063 1.00 7.62 O ATOM 390 CG2 THR A 28 62.719 9.081 13.298 1.00 7.80 C ATOM 0 H THR A 28 60.672 8.240 11.642 1.00 5.54 H new ATOM 0 HA THR A 28 60.106 8.940 14.453 1.00 5.59 H new ATOM 0 HB THR A 28 61.631 10.745 14.119 1.00 7.09 H new ATOM 0 HG1 THR A 28 62.363 11.279 11.976 1.00 7.62 H new ATOM 0 HG21 THR A 28 63.649 9.641 13.202 1.00 7.80 H new ATOM 0 HG22 THR A 28 62.725 8.526 14.236 1.00 7.80 H new ATOM 0 HG23 THR A 28 62.627 8.384 12.465 1.00 7.80 H new ATOM 398 N THR A 29 58.857 11.226 13.815 1.00 6.48 N ATOM 399 CA THR A 29 57.764 12.156 13.554 1.00 6.08 C ATOM 400 C THR A 29 58.122 13.094 12.405 1.00 6.97 C ATOM 401 O THR A 29 57.271 13.437 11.584 1.00 10.04 O ATOM 402 CB THR A 29 57.466 12.977 14.811 1.00 8.08 C ATOM 403 OG1 THR A 29 57.417 12.113 15.938 1.00 8.72 O ATOM 404 CG2 THR A 29 56.121 13.689 14.653 1.00 6.60 C ATOM 0 H THR A 29 59.435 11.464 14.621 1.00 6.48 H new ATOM 0 HA THR A 29 56.880 11.581 13.277 1.00 6.08 H new ATOM 0 HB THR A 29 58.251 13.719 14.955 1.00 8.08 H new ATOM 0 HG1 THR A 29 56.708 12.409 16.546 1.00 8.72 H new ATOM 0 HG21 THR A 29 55.911 14.273 15.549 1.00 6.60 H new ATOM 0 HG22 THR A 29 56.160 14.352 13.789 1.00 6.60 H new ATOM 0 HG23 THR A 29 55.333 12.950 14.508 1.00 6.60 H new ATOM 412 N LYS A 30 59.384 13.507 12.355 1.00 6.44 N ATOM 413 CA LYS A 30 59.842 14.407 11.303 1.00 5.32 C ATOM 414 C LYS A 30 59.765 13.724 9.941 1.00 5.11 C ATOM 415 O LYS A 30 59.525 14.373 8.923 1.00 2.00 O ATOM 416 CB LYS A 30 61.284 14.840 11.578 1.00 6.94 C ATOM 417 CG LYS A 30 61.723 15.853 10.519 1.00 11.76 C ATOM 418 CD LYS A 30 62.684 16.865 11.146 1.00 16.32 C ATOM 419 CE LYS A 30 63.601 17.437 10.065 1.00 16.38 C ATOM 420 NZ LYS A 30 62.810 18.313 9.155 1.00 12.63 N ATOM 0 H LYS A 30 60.103 13.235 13.025 1.00 6.44 H new ATOM 0 HA LYS A 30 59.194 15.284 11.294 1.00 5.32 H new ATOM 0 HB2 LYS A 30 61.359 15.281 12.572 1.00 6.94 H new ATOM 0 HB3 LYS A 30 61.944 13.973 11.563 1.00 6.94 H new ATOM 0 HG2 LYS A 30 62.209 15.340 9.689 1.00 11.76 H new ATOM 0 HG3 LYS A 30 60.853 16.367 10.110 1.00 11.76 H new ATOM 0 HD2 LYS A 30 62.122 17.668 11.623 1.00 16.32 H new ATOM 0 HD3 LYS A 30 63.277 16.385 11.924 1.00 16.32 H new ATOM 0 HE2 LYS A 30 64.410 18.006 10.523 1.00 16.38 H new ATOM 0 HE3 LYS A 30 64.062 16.628 9.498 1.00 16.38 H new ATOM 0 HZ1 LYS A 30 63.451 18.795 8.493 1.00 12.63 H new ATOM 0 HZ2 LYS A 30 62.131 17.735 8.620 1.00 12.63 H new ATOM 0 HZ3 LYS A 30 62.295 19.021 9.716 1.00 12.63 H new ATOM 434 N GLU A 31 59.971 12.411 9.930 1.00 2.00 N ATOM 435 CA GLU A 31 59.923 11.652 8.685 1.00 2.98 C ATOM 436 C GLU A 31 58.477 11.397 8.270 1.00 4.00 C ATOM 437 O GLU A 31 58.167 11.318 7.081 1.00 4.67 O ATOM 438 CB GLU A 31 60.648 10.316 8.860 1.00 2.67 C ATOM 439 CG GLU A 31 62.110 10.470 8.435 1.00 3.70 C ATOM 440 CD GLU A 31 62.995 9.553 9.272 1.00 3.21 C ATOM 441 OE1 GLU A 31 64.008 10.026 9.762 1.00 5.59 O ATOM 442 OE2 GLU A 31 62.648 8.392 9.412 1.00 4.09 O ATOM 0 H GLU A 31 60.171 11.854 10.761 1.00 2.00 H new ATOM 0 HA GLU A 31 60.416 12.234 7.906 1.00 2.98 H new ATOM 0 HB2 GLU A 31 60.592 9.993 9.900 1.00 2.67 H new ATOM 0 HB3 GLU A 31 60.163 9.546 8.261 1.00 2.67 H new ATOM 0 HG2 GLU A 31 62.218 10.227 7.378 1.00 3.70 H new ATOM 0 HG3 GLU A 31 62.426 11.506 8.558 1.00 3.70 H new ATOM 449 N LEU A 32 57.597 11.270 9.258 1.00 5.61 N ATOM 450 CA LEU A 32 56.186 11.024 8.984 1.00 5.49 C ATOM 451 C LEU A 32 55.571 12.207 8.243 1.00 6.12 C ATOM 452 O LEU A 32 55.071 12.061 7.128 1.00 5.57 O ATOM 453 CB LEU A 32 55.433 10.793 10.296 1.00 5.85 C ATOM 454 CG LEU A 32 54.526 9.570 10.156 1.00 7.72 C ATOM 455 CD1 LEU A 32 55.382 8.303 10.094 1.00 6.45 C ATOM 456 CD2 LEU A 32 53.589 9.492 11.363 1.00 7.63 C ATOM 0 H LEU A 32 57.833 11.333 10.248 1.00 5.61 H new ATOM 0 HA LEU A 32 56.105 10.136 8.358 1.00 5.49 H new ATOM 0 HB2 LEU A 32 56.140 10.643 11.112 1.00 5.85 H new ATOM 0 HB3 LEU A 32 54.839 11.672 10.546 1.00 5.85 H new ATOM 0 HG LEU A 32 53.938 9.656 9.242 1.00 7.72 H new ATOM 0 HD11 LEU A 32 54.735 7.431 9.994 1.00 6.45 H new ATOM 0 HD12 LEU A 32 56.052 8.358 9.236 1.00 6.45 H new ATOM 0 HD13 LEU A 32 55.970 8.216 11.008 1.00 6.45 H new ATOM 0 HD21 LEU A 32 52.941 8.621 11.265 1.00 7.63 H new ATOM 0 HD22 LEU A 32 54.178 9.406 12.276 1.00 7.63 H new ATOM 0 HD23 LEU A 32 52.979 10.394 11.409 1.00 7.63 H new ATOM 468 N GLY A 33 55.612 13.378 8.870 1.00 6.93 N ATOM 469 CA GLY A 33 55.055 14.579 8.259 1.00 4.91 C ATOM 470 C GLY A 33 55.462 14.682 6.793 1.00 6.07 C ATOM 471 O GLY A 33 54.644 15.008 5.933 1.00 6.12 O ATOM 0 H GLY A 33 56.022 13.521 9.793 1.00 6.93 H new ATOM 0 HA2 GLY A 33 53.968 14.562 8.339 1.00 4.91 H new ATOM 0 HA3 GLY A 33 55.400 15.460 8.799 1.00 4.91 H new ATOM 475 N THR A 34 56.731 14.400 6.516 1.00 6.25 N ATOM 476 CA THR A 34 57.236 14.464 5.149 1.00 6.89 C ATOM 477 C THR A 34 56.353 13.643 4.215 1.00 5.87 C ATOM 478 O THR A 34 56.127 14.024 3.066 1.00 4.67 O ATOM 479 CB THR A 34 58.670 13.932 5.097 1.00 7.13 C ATOM 480 OG1 THR A 34 59.413 14.472 6.181 1.00 8.73 O ATOM 481 CG2 THR A 34 59.321 14.343 3.775 1.00 9.63 C ATOM 0 H THR A 34 57.424 14.127 7.213 1.00 6.25 H new ATOM 0 HA THR A 34 57.223 15.504 4.824 1.00 6.89 H new ATOM 0 HB THR A 34 58.657 12.845 5.170 1.00 7.13 H new ATOM 0 HG1 THR A 34 60.331 14.131 6.150 1.00 8.73 H new ATOM 0 HG21 THR A 34 60.342 13.964 3.739 1.00 9.63 H new ATOM 0 HG22 THR A 34 58.750 13.928 2.944 1.00 9.63 H new ATOM 0 HG23 THR A 34 59.335 15.430 3.699 1.00 9.63 H new ATOM 489 N VAL A 35 55.857 12.516 4.715 1.00 4.87 N ATOM 490 CA VAL A 35 54.999 11.650 3.914 1.00 5.50 C ATOM 491 C VAL A 35 53.745 12.397 3.474 1.00 6.36 C ATOM 492 O VAL A 35 53.449 12.485 2.283 1.00 6.78 O ATOM 493 CB VAL A 35 54.602 10.415 4.724 1.00 7.07 C ATOM 494 CG1 VAL A 35 53.730 9.499 3.863 1.00 6.42 C ATOM 495 CG2 VAL A 35 55.862 9.661 5.154 1.00 4.61 C ATOM 0 H VAL A 35 56.032 12.183 5.663 1.00 4.87 H new ATOM 0 HA VAL A 35 55.553 11.340 3.028 1.00 5.50 H new ATOM 0 HB VAL A 35 54.043 10.724 5.607 1.00 7.07 H new ATOM 0 HG11 VAL A 35 53.447 8.619 4.440 1.00 6.42 H new ATOM 0 HG12 VAL A 35 52.832 10.035 3.555 1.00 6.42 H new ATOM 0 HG13 VAL A 35 54.289 9.190 2.980 1.00 6.42 H new ATOM 0 HG21 VAL A 35 55.580 8.781 5.731 1.00 4.61 H new ATOM 0 HG22 VAL A 35 56.420 9.352 4.270 1.00 4.61 H new ATOM 0 HG23 VAL A 35 56.485 10.313 5.767 1.00 4.61 H new ATOM 505 N MET A 36 53.012 12.936 4.443 0.50 5.82 N ATOM 506 CA MET A 36 51.791 13.675 4.142 0.50 6.35 C ATOM 507 C MET A 36 52.095 14.862 3.234 0.50 5.77 C ATOM 508 O MET A 36 51.283 15.229 2.385 0.50 6.52 O ATOM 509 CB MET A 36 51.148 14.172 5.438 0.50 6.47 C ATOM 510 CG MET A 36 50.073 13.182 5.889 0.50 7.91 C ATOM 511 SD MET A 36 50.793 11.526 6.016 0.50 9.11 S ATOM 512 CE MET A 36 50.386 11.235 7.755 0.50 10.12 C ATOM 0 H MET A 36 53.240 12.876 5.435 0.50 5.82 H new ATOM 0 HA MET A 36 51.100 13.006 3.628 0.50 6.35 H new ATOM 0 HB2 MET A 36 51.906 14.280 6.214 0.50 6.47 H new ATOM 0 HB3 MET A 36 50.708 15.157 5.283 0.50 6.47 H new ATOM 0 HG2 MET A 36 49.664 13.487 6.852 0.50 7.91 H new ATOM 0 HG3 MET A 36 49.247 13.177 5.178 0.50 7.91 H new ATOM 0 HE1 MET A 36 50.745 10.250 8.053 0.50 10.12 H new ATOM 0 HE2 MET A 36 50.862 11.997 8.372 0.50 10.12 H new ATOM 0 HE3 MET A 36 49.305 11.283 7.889 0.50 10.12 H new ATOM 522 N ARG A 37 53.269 15.457 3.419 1.00 5.54 N ATOM 523 CA ARG A 37 53.669 16.602 2.610 1.00 5.23 C ATOM 524 C ARG A 37 53.599 16.259 1.126 1.00 5.57 C ATOM 525 O ARG A 37 53.329 17.123 0.291 1.00 5.64 O ATOM 526 CB ARG A 37 55.095 17.024 2.971 1.00 5.44 C ATOM 527 CG ARG A 37 55.332 18.465 2.514 1.00 9.87 C ATOM 528 CD ARG A 37 56.652 18.974 3.097 1.00 7.40 C ATOM 529 NE ARG A 37 57.037 20.226 2.455 1.00 5.71 N ATOM 530 CZ ARG A 37 57.346 20.269 1.163 1.00 5.49 C ATOM 531 NH1 ARG A 37 57.687 21.401 0.611 1.00 4.77 N ATOM 532 NH2 ARG A 37 57.308 19.179 0.447 1.00 5.93 N ATOM 0 H ARG A 37 53.955 15.168 4.116 1.00 5.54 H new ATOM 0 HA ARG A 37 52.984 17.425 2.814 1.00 5.23 H new ATOM 0 HB2 ARG A 37 55.248 16.943 4.047 1.00 5.44 H new ATOM 0 HB3 ARG A 37 55.814 16.357 2.495 1.00 5.44 H new ATOM 0 HG2 ARG A 37 55.360 18.513 1.425 1.00 9.87 H new ATOM 0 HG3 ARG A 37 54.509 19.101 2.839 1.00 9.87 H new ATOM 0 HD2 ARG A 37 56.549 19.125 4.172 1.00 7.40 H new ATOM 0 HD3 ARG A 37 57.433 18.228 2.953 1.00 7.40 H new ATOM 0 HE ARG A 37 57.070 21.083 3.007 1.00 5.71 H new ATOM 0 HH11 ARG A 37 57.716 22.253 1.171 1.00 4.77 H new ATOM 0 HH12 ARG A 37 57.924 21.434 -0.381 1.00 4.77 H new ATOM 0 HH21 ARG A 37 57.041 18.294 0.879 1.00 5.93 H new ATOM 0 HH22 ARG A 37 57.545 19.212 -0.545 1.00 5.93 H new ATOM 546 N SER A 38 53.843 14.993 0.804 1.00 5.82 N ATOM 547 CA SER A 38 53.803 14.546 -0.584 1.00 6.44 C ATOM 548 C SER A 38 52.364 14.301 -1.025 1.00 7.83 C ATOM 549 O SER A 38 52.072 14.245 -2.220 1.00 7.95 O ATOM 550 CB SER A 38 54.615 13.260 -0.742 1.00 5.05 C ATOM 551 OG SER A 38 54.137 12.288 0.178 1.00 8.15 O ATOM 0 H SER A 38 54.069 14.263 1.480 1.00 5.82 H new ATOM 0 HA SER A 38 54.235 15.326 -1.211 1.00 6.44 H new ATOM 0 HB2 SER A 38 54.530 12.885 -1.762 1.00 5.05 H new ATOM 0 HB3 SER A 38 55.672 13.459 -0.563 1.00 5.05 H new ATOM 0 HG SER A 38 54.393 12.545 1.088 1.00 8.15 H new ATOM 557 N LEU A 39 51.470 14.155 -0.053 1.00 7.89 N ATOM 558 CA LEU A 39 50.063 13.916 -0.353 1.00 8.71 C ATOM 559 C LEU A 39 49.307 15.237 -0.459 1.00 8.85 C ATOM 560 O LEU A 39 48.076 15.259 -0.480 1.00 8.85 O ATOM 561 CB LEU A 39 49.434 13.053 0.743 1.00 9.15 C ATOM 562 CG LEU A 39 50.014 11.639 0.675 1.00 8.10 C ATOM 563 CD1 LEU A 39 49.599 10.856 1.921 1.00 10.10 C ATOM 564 CD2 LEU A 39 49.480 10.931 -0.572 1.00 12.78 C ATOM 0 H LEU A 39 51.692 14.197 0.942 1.00 7.89 H new ATOM 0 HA LEU A 39 49.998 13.394 -1.308 1.00 8.71 H new ATOM 0 HB2 LEU A 39 49.629 13.491 1.722 1.00 9.15 H new ATOM 0 HB3 LEU A 39 48.352 13.020 0.618 1.00 9.15 H new ATOM 0 HG LEU A 39 51.102 11.694 0.627 1.00 8.10 H new ATOM 0 HD11 LEU A 39 50.012 9.849 1.872 1.00 10.10 H new ATOM 0 HD12 LEU A 39 49.977 11.361 2.810 1.00 10.10 H new ATOM 0 HD13 LEU A 39 48.512 10.800 1.970 1.00 10.10 H new ATOM 0 HD21 LEU A 39 49.892 9.923 -0.623 1.00 12.78 H new ATOM 0 HD22 LEU A 39 48.393 10.876 -0.522 1.00 12.78 H new ATOM 0 HD23 LEU A 39 49.775 11.488 -1.461 1.00 12.78 H new ATOM 576 N GLY A 40 50.052 16.335 -0.525 1.00 9.60 N ATOM 577 CA GLY A 40 49.442 17.656 -0.629 1.00 8.71 C ATOM 578 C GLY A 40 48.633 17.982 0.622 1.00 8.84 C ATOM 579 O GLY A 40 47.678 18.757 0.570 1.00 8.80 O ATOM 0 H GLY A 40 51.072 16.338 -0.509 1.00 9.60 H new ATOM 0 HA2 GLY A 40 50.217 18.409 -0.772 1.00 8.71 H new ATOM 0 HA3 GLY A 40 48.795 17.694 -1.505 1.00 8.71 H new ATOM 583 N GLN A 41 49.023 17.387 1.744 1.00 9.43 N ATOM 584 CA GLN A 41 48.325 17.622 3.003 1.00 9.39 C ATOM 585 C GLN A 41 49.119 18.578 3.887 1.00 9.13 C ATOM 586 O GLN A 41 50.338 18.696 3.754 1.00 9.37 O ATOM 587 CB GLN A 41 48.117 16.297 3.740 1.00 9.54 C ATOM 588 CG GLN A 41 46.787 16.336 4.495 1.00 14.07 C ATOM 589 CD GLN A 41 46.713 15.175 5.481 1.00 18.80 C ATOM 590 OE1 GLN A 41 47.792 14.796 6.110 1.00 20.35 O flip ATOM 591 NE2 GLN A 41 45.645 14.598 5.683 1.00 17.18 N flip ATOM 0 H GLN A 41 49.812 16.744 1.808 1.00 9.43 H new ATOM 0 HA GLN A 41 47.357 18.071 2.781 1.00 9.39 H new ATOM 0 HB2 GLN A 41 48.120 15.470 3.030 1.00 9.54 H new ATOM 0 HB3 GLN A 41 48.938 16.123 4.436 1.00 9.54 H new ATOM 0 HG2 GLN A 41 46.689 17.282 5.027 1.00 14.07 H new ATOM 0 HG3 GLN A 41 45.957 16.279 3.790 1.00 14.07 H new ATOM 0 HE21 GLN A 41 44.803 14.896 5.190 1.00 17.18 H new ATOM 0 HE22 GLN A 41 45.602 13.822 6.343 1.00 17.18 H new ATOM 600 N ASN A 42 48.421 19.259 4.789 0.50 9.56 N ATOM 601 CA ASN A 42 49.069 20.203 5.692 0.50 9.39 C ATOM 602 C ASN A 42 48.628 19.954 7.131 0.50 9.08 C ATOM 603 O ASN A 42 47.759 20.651 7.654 0.50 10.22 O ATOM 604 CB ASN A 42 48.717 21.636 5.289 0.50 9.34 C ATOM 605 CG ASN A 42 47.304 21.685 4.717 0.50 8.10 C ATOM 606 OD1 ASN A 42 47.074 21.193 3.530 0.50 6.34 O flip ATOM 607 ND2 ASN A 42 46.386 22.184 5.367 0.50 6.21 N flip ATOM 0 H ASN A 42 47.412 19.176 4.914 0.50 9.56 H new ATOM 0 HA ASN A 42 50.148 20.062 5.624 0.50 9.39 H new ATOM 0 HB2 ASN A 42 48.791 22.294 6.155 0.50 9.34 H new ATOM 0 HB3 ASN A 42 49.430 22.000 4.550 0.50 9.34 H new ATOM 0 HD21 ASN A 42 46.568 22.568 6.294 0.50 6.21 H new ATOM 0 HD22 ASN A 42 45.443 22.214 4.978 0.50 6.21 H new ATOM 614 N PRO A 43 49.209 18.975 7.772 1.00 8.50 N ATOM 615 CA PRO A 43 48.872 18.620 9.178 1.00 6.21 C ATOM 616 C PRO A 43 49.508 19.576 10.184 1.00 4.45 C ATOM 617 O PRO A 43 50.544 20.182 9.912 1.00 7.13 O ATOM 618 CB PRO A 43 49.434 17.208 9.334 1.00 6.33 C ATOM 619 CG PRO A 43 50.561 17.116 8.357 1.00 8.63 C ATOM 620 CD PRO A 43 50.253 18.097 7.221 1.00 8.24 C ATOM 0 HA PRO A 43 47.801 18.683 9.372 1.00 6.21 H new ATOM 0 HB2 PRO A 43 49.782 17.035 10.352 1.00 6.33 H new ATOM 0 HB3 PRO A 43 48.672 16.457 9.126 1.00 6.33 H new ATOM 0 HG2 PRO A 43 51.508 17.366 8.836 1.00 8.63 H new ATOM 0 HG3 PRO A 43 50.657 16.100 7.974 1.00 8.63 H new ATOM 0 HD2 PRO A 43 51.139 18.664 6.934 1.00 8.24 H new ATOM 0 HD3 PRO A 43 49.905 17.576 6.329 1.00 8.24 H new ATOM 628 N THR A 44 48.877 19.705 11.347 1.00 4.83 N ATOM 629 CA THR A 44 49.388 20.588 12.389 1.00 3.51 C ATOM 630 C THR A 44 50.446 19.875 13.225 1.00 2.59 C ATOM 631 O THR A 44 50.419 18.652 13.366 1.00 2.00 O ATOM 632 CB THR A 44 48.241 21.045 13.295 1.00 3.90 C ATOM 633 OG1 THR A 44 47.522 19.909 13.754 1.00 3.35 O ATOM 634 CG2 THR A 44 47.304 21.963 12.510 1.00 3.21 C ATOM 0 H THR A 44 48.017 19.213 11.590 1.00 4.83 H new ATOM 0 HA THR A 44 49.843 21.456 11.912 1.00 3.51 H new ATOM 0 HB THR A 44 48.645 21.588 14.149 1.00 3.90 H new ATOM 0 HG1 THR A 44 46.788 20.199 14.335 1.00 3.35 H new ATOM 0 HG21 THR A 44 46.488 22.288 13.155 1.00 3.21 H new ATOM 0 HG22 THR A 44 47.858 22.834 12.159 1.00 3.21 H new ATOM 0 HG23 THR A 44 46.897 21.423 11.655 1.00 3.21 H new ATOM 642 N GLU A 45 51.377 20.647 13.777 1.00 2.00 N ATOM 643 CA GLU A 45 52.439 20.077 14.597 1.00 3.60 C ATOM 644 C GLU A 45 51.853 19.205 15.703 1.00 4.17 C ATOM 645 O GLU A 45 52.465 18.224 16.123 1.00 5.52 O ATOM 646 CB GLU A 45 53.279 21.196 15.216 1.00 4.15 C ATOM 647 CG GLU A 45 54.086 21.895 14.121 1.00 7.46 C ATOM 648 CD GLU A 45 55.449 22.312 14.663 1.00 7.32 C ATOM 649 OE1 GLU A 45 56.274 22.738 13.872 1.00 16.78 O ATOM 650 OE2 GLU A 45 55.647 22.199 15.862 1.00 13.96 O ATOM 0 H GLU A 45 51.418 21.661 13.672 1.00 2.00 H new ATOM 0 HA GLU A 45 53.072 19.459 13.960 1.00 3.60 H new ATOM 0 HB2 GLU A 45 52.632 21.914 15.720 1.00 4.15 H new ATOM 0 HB3 GLU A 45 53.950 20.786 15.971 1.00 4.15 H new ATOM 0 HG2 GLU A 45 54.213 21.227 13.269 1.00 7.46 H new ATOM 0 HG3 GLU A 45 53.545 22.770 13.762 1.00 7.46 H new ATOM 657 N ALA A 46 50.664 19.571 16.170 1.00 4.80 N ATOM 658 CA ALA A 46 50.004 18.815 17.228 1.00 3.98 C ATOM 659 C ALA A 46 49.423 17.517 16.676 1.00 2.82 C ATOM 660 O ALA A 46 49.545 16.460 17.294 1.00 4.64 O ATOM 661 CB ALA A 46 48.885 19.654 17.849 1.00 3.36 C ATOM 0 H ALA A 46 50.141 20.380 15.836 1.00 4.80 H new ATOM 0 HA ALA A 46 50.743 18.573 17.992 1.00 3.98 H new ATOM 0 HB1 ALA A 46 48.397 19.082 18.638 1.00 3.36 H new ATOM 0 HB2 ALA A 46 49.306 20.567 18.270 1.00 3.36 H new ATOM 0 HB3 ALA A 46 48.154 19.911 17.082 1.00 3.36 H new ATOM 667 N GLU A 47 48.792 17.606 15.510 0.50 3.25 N ATOM 668 CA GLU A 47 48.195 16.432 14.884 0.50 4.03 C ATOM 669 C GLU A 47 49.233 15.325 14.726 0.50 2.00 C ATOM 670 O GLU A 47 49.080 14.234 15.277 0.50 2.21 O ATOM 671 CB GLU A 47 47.628 16.802 13.512 0.50 3.18 C ATOM 672 CG GLU A 47 46.177 17.260 13.666 0.50 2.62 C ATOM 673 CD GLU A 47 45.296 16.079 14.059 0.50 5.31 C ATOM 674 OE1 GLU A 47 45.815 14.977 14.132 0.50 6.18 O ATOM 675 OE2 GLU A 47 44.116 16.293 14.280 0.50 2.00 O ATOM 0 H GLU A 47 48.681 18.472 14.983 0.50 3.25 H new ATOM 0 HA GLU A 47 47.389 16.072 15.524 0.50 4.03 H new ATOM 0 HB2 GLU A 47 48.225 17.595 13.062 0.50 3.18 H new ATOM 0 HB3 GLU A 47 47.680 15.944 12.842 0.50 3.18 H new ATOM 0 HG2 GLU A 47 46.112 18.041 14.424 0.50 2.62 H new ATOM 0 HG3 GLU A 47 45.823 17.693 12.731 0.50 2.62 H new ATOM 682 N LEU A 48 50.287 15.612 13.970 1.00 2.12 N ATOM 683 CA LEU A 48 51.344 14.633 13.747 1.00 2.61 C ATOM 684 C LEU A 48 51.855 14.084 15.075 1.00 3.92 C ATOM 685 O LEU A 48 51.973 12.872 15.253 1.00 2.59 O ATOM 686 CB LEU A 48 52.501 15.277 12.980 1.00 5.42 C ATOM 687 CG LEU A 48 53.135 14.244 12.048 1.00 4.58 C ATOM 688 CD1 LEU A 48 52.283 14.103 10.785 1.00 6.65 C ATOM 689 CD2 LEU A 48 54.544 14.702 11.664 1.00 5.37 C ATOM 0 H LEU A 48 50.432 16.508 13.504 1.00 2.12 H new ATOM 0 HA LEU A 48 50.933 13.811 13.161 1.00 2.61 H new ATOM 0 HB2 LEU A 48 52.139 16.129 12.404 1.00 5.42 H new ATOM 0 HB3 LEU A 48 53.246 15.658 13.678 1.00 5.42 H new ATOM 0 HG LEU A 48 53.191 13.282 12.557 1.00 4.58 H new ATOM 0 HD11 LEU A 48 52.736 13.366 10.121 1.00 6.65 H new ATOM 0 HD12 LEU A 48 51.279 13.777 11.058 1.00 6.65 H new ATOM 0 HD13 LEU A 48 52.226 15.065 10.275 1.00 6.65 H new ATOM 0 HD21 LEU A 48 54.997 13.966 11.000 1.00 5.37 H new ATOM 0 HD22 LEU A 48 54.488 15.664 11.155 1.00 5.37 H new ATOM 0 HD23 LEU A 48 55.152 14.802 12.563 1.00 5.37 H new ATOM 701 N GLN A 49 52.156 14.985 16.005 1.00 4.04 N ATOM 702 CA GLN A 49 52.653 14.580 17.314 1.00 6.32 C ATOM 703 C GLN A 49 51.696 13.587 17.966 1.00 4.43 C ATOM 704 O GLN A 49 52.118 12.557 18.491 1.00 6.21 O ATOM 705 CB GLN A 49 52.812 15.806 18.215 1.00 5.48 C ATOM 706 CG GLN A 49 53.822 15.499 19.323 1.00 4.72 C ATOM 707 CD GLN A 49 53.503 16.328 20.562 1.00 3.92 C ATOM 708 OE1 GLN A 49 52.874 17.464 20.432 1.00 7.05 O flip ATOM 709 NE2 GLN A 49 53.837 15.931 21.679 1.00 2.12 N flip ATOM 0 H GLN A 49 52.065 15.993 15.878 1.00 4.04 H new ATOM 0 HA GLN A 49 53.622 14.100 17.181 1.00 6.32 H new ATOM 0 HB2 GLN A 49 53.149 16.660 17.628 1.00 5.48 H new ATOM 0 HB3 GLN A 49 51.850 16.078 18.650 1.00 5.48 H new ATOM 0 HG2 GLN A 49 53.794 14.437 19.568 1.00 4.72 H new ATOM 0 HG3 GLN A 49 54.832 15.720 18.977 1.00 4.72 H new ATOM 0 HE21 GLN A 49 54.329 15.043 21.779 1.00 2.12 H new ATOM 0 HE22 GLN A 49 53.622 16.490 22.504 1.00 2.12 H new ATOM 718 N ASP A 50 50.406 13.904 17.929 1.00 3.85 N ATOM 719 CA ASP A 50 49.398 13.032 18.519 1.00 5.51 C ATOM 720 C ASP A 50 49.313 11.716 17.753 1.00 4.73 C ATOM 721 O ASP A 50 48.919 10.689 18.306 1.00 3.05 O ATOM 722 CB ASP A 50 48.034 13.724 18.501 1.00 6.72 C ATOM 723 CG ASP A 50 47.789 14.429 19.831 1.00 3.36 C ATOM 724 OD1 ASP A 50 48.740 14.585 20.580 1.00 2.00 O ATOM 725 OD2 ASP A 50 46.655 14.803 20.081 1.00 3.77 O ATOM 0 H ASP A 50 50.036 14.752 17.500 1.00 3.85 H new ATOM 0 HA ASP A 50 49.685 12.821 19.549 1.00 5.51 H new ATOM 0 HB2 ASP A 50 47.994 14.445 17.685 1.00 6.72 H new ATOM 0 HB3 ASP A 50 47.248 12.992 18.318 1.00 6.72 H new ATOM 730 N MET A 51 49.686 11.755 16.478 1.00 4.95 N ATOM 731 CA MET A 51 49.649 10.559 15.645 1.00 5.39 C ATOM 732 C MET A 51 50.731 9.573 16.075 1.00 5.93 C ATOM 733 O MET A 51 50.440 8.423 16.406 1.00 8.69 O ATOM 734 CB MET A 51 49.855 10.938 14.177 1.00 6.81 C ATOM 735 CG MET A 51 49.434 9.769 13.284 1.00 6.35 C ATOM 736 SD MET A 51 50.587 8.392 13.507 1.00 10.13 S ATOM 737 CE MET A 51 49.583 7.122 12.700 1.00 13.60 C ATOM 0 H MET A 51 50.015 12.595 16.002 1.00 4.95 H new ATOM 0 HA MET A 51 48.674 10.086 15.764 1.00 5.39 H new ATOM 0 HB2 MET A 51 49.269 11.825 13.934 1.00 6.81 H new ATOM 0 HB3 MET A 51 50.901 11.188 13.998 1.00 6.81 H new ATOM 0 HG2 MET A 51 48.421 9.453 13.534 1.00 6.35 H new ATOM 0 HG3 MET A 51 49.422 10.081 12.240 1.00 6.35 H new ATOM 0 HE1 MET A 51 50.113 6.170 12.723 1.00 13.60 H new ATOM 0 HE2 MET A 51 48.633 7.021 13.225 1.00 13.60 H new ATOM 0 HE3 MET A 51 49.397 7.408 11.665 1.00 13.60 H new ATOM 747 N ILE A 52 51.978 10.031 16.068 1.00 7.65 N ATOM 748 CA ILE A 52 53.096 9.181 16.459 1.00 4.46 C ATOM 749 C ILE A 52 52.800 8.484 17.783 1.00 4.03 C ATOM 750 O ILE A 52 53.083 7.297 17.947 1.00 3.57 O ATOM 751 CB ILE A 52 54.367 10.020 16.595 1.00 6.21 C ATOM 752 CG1 ILE A 52 54.886 10.385 15.202 1.00 8.71 C ATOM 753 CG2 ILE A 52 55.433 9.216 17.341 1.00 7.56 C ATOM 754 CD1 ILE A 52 55.747 9.242 14.661 1.00 8.27 C ATOM 0 H ILE A 52 52.239 10.979 15.798 1.00 7.65 H new ATOM 0 HA ILE A 52 53.241 8.425 15.687 1.00 4.46 H new ATOM 0 HB ILE A 52 54.144 10.930 17.152 1.00 6.21 H new ATOM 0 HG12 ILE A 52 54.050 10.574 14.529 1.00 8.71 H new ATOM 0 HG13 ILE A 52 55.471 11.304 15.250 1.00 8.71 H new ATOM 0 HG21 ILE A 52 56.339 9.815 17.438 1.00 7.56 H new ATOM 0 HG22 ILE A 52 55.064 8.954 18.332 1.00 7.56 H new ATOM 0 HG23 ILE A 52 55.657 8.306 16.785 1.00 7.56 H new ATOM 0 HD11 ILE A 52 56.116 9.503 13.669 1.00 8.27 H new ATOM 0 HD12 ILE A 52 56.591 9.074 15.330 1.00 8.27 H new ATOM 0 HD13 ILE A 52 55.148 8.334 14.598 1.00 8.27 H new ATOM 766 N ASN A 53 52.229 9.228 18.724 1.00 2.63 N ATOM 767 CA ASN A 53 51.899 8.668 20.030 1.00 2.00 C ATOM 768 C ASN A 53 51.105 7.376 19.872 1.00 6.04 C ATOM 769 O ASN A 53 51.400 6.371 20.519 1.00 3.59 O ATOM 770 CB ASN A 53 51.081 9.676 20.839 1.00 9.04 C ATOM 771 CG ASN A 53 51.345 9.486 22.329 1.00 3.69 C ATOM 772 OD1 ASN A 53 51.840 10.396 22.994 1.00 2.06 O ATOM 773 ND2 ASN A 53 51.042 8.350 22.896 1.00 3.59 N ATOM 0 H ASN A 53 51.987 10.212 18.609 1.00 2.63 H new ATOM 0 HA ASN A 53 52.828 8.449 20.556 1.00 2.00 H new ATOM 0 HB2 ASN A 53 51.343 10.691 20.542 1.00 9.04 H new ATOM 0 HB3 ASN A 53 50.019 9.546 20.630 1.00 9.04 H new ATOM 0 HD21 ASN A 53 51.215 8.215 23.892 1.00 3.59 H new ATOM 0 HD22 ASN A 53 50.632 7.597 22.343 1.00 3.59 H new ATOM 780 N GLU A 54 50.096 7.409 19.008 1.00 5.74 N ATOM 781 CA GLU A 54 49.265 6.234 18.773 1.00 2.00 C ATOM 782 C GLU A 54 50.132 5.017 18.465 1.00 2.75 C ATOM 783 O GLU A 54 49.822 3.901 18.882 1.00 4.80 O ATOM 784 CB GLU A 54 48.312 6.493 17.605 1.00 2.00 C ATOM 785 CG GLU A 54 46.913 5.989 17.965 1.00 5.28 C ATOM 786 CD GLU A 54 46.024 5.989 16.726 1.00 15.98 C ATOM 787 OE1 GLU A 54 44.913 5.493 16.819 1.00 23.58 O ATOM 788 OE2 GLU A 54 46.467 6.484 15.703 1.00 23.43 O ATOM 0 H GLU A 54 49.835 8.230 18.462 1.00 5.74 H new ATOM 0 HA GLU A 54 48.687 6.035 19.675 1.00 2.00 H new ATOM 0 HB2 GLU A 54 48.279 7.559 17.379 1.00 2.00 H new ATOM 0 HB3 GLU A 54 48.673 5.988 16.709 1.00 2.00 H new ATOM 0 HG2 GLU A 54 46.975 4.982 18.378 1.00 5.28 H new ATOM 0 HG3 GLU A 54 46.476 6.623 18.736 1.00 5.28 H new ATOM 795 N VAL A 55 51.218 5.241 17.732 1.00 2.00 N ATOM 796 CA VAL A 55 52.122 4.154 17.375 1.00 3.29 C ATOM 797 C VAL A 55 53.223 4.007 18.420 1.00 5.38 C ATOM 798 O VAL A 55 53.892 2.976 18.491 1.00 3.32 O ATOM 799 CB VAL A 55 52.748 4.425 16.006 1.00 4.63 C ATOM 800 CG1 VAL A 55 53.535 3.194 15.551 1.00 7.60 C ATOM 801 CG2 VAL A 55 51.643 4.725 14.991 1.00 6.66 C ATOM 0 H VAL A 55 51.492 6.157 17.376 1.00 2.00 H new ATOM 0 HA VAL A 55 51.549 3.228 17.336 1.00 3.29 H new ATOM 0 HB VAL A 55 53.420 5.280 16.077 1.00 4.63 H new ATOM 0 HG11 VAL A 55 53.981 3.387 14.575 1.00 7.60 H new ATOM 0 HG12 VAL A 55 54.322 2.978 16.273 1.00 7.60 H new ATOM 0 HG13 VAL A 55 52.863 2.339 15.480 1.00 7.60 H new ATOM 0 HG21 VAL A 55 52.088 4.918 14.015 1.00 6.66 H new ATOM 0 HG22 VAL A 55 50.972 3.869 14.921 1.00 6.66 H new ATOM 0 HG23 VAL A 55 51.081 5.602 15.313 1.00 6.66 H new ATOM 811 N ASP A 56 53.406 5.046 19.229 1.00 4.38 N ATOM 812 CA ASP A 56 54.430 5.021 20.268 1.00 5.59 C ATOM 813 C ASP A 56 53.807 4.717 21.627 1.00 9.10 C ATOM 814 O ASP A 56 53.496 5.627 22.395 1.00 10.26 O ATOM 815 CB ASP A 56 55.149 6.370 20.324 1.00 5.02 C ATOM 816 CG ASP A 56 56.638 6.156 20.577 1.00 8.99 C ATOM 817 OD1 ASP A 56 57.212 5.299 19.927 1.00 10.72 O ATOM 818 OD2 ASP A 56 57.182 6.853 21.418 1.00 12.55 O ATOM 0 H ASP A 56 52.864 5.909 19.186 1.00 4.38 H new ATOM 0 HA ASP A 56 55.147 4.237 20.027 1.00 5.59 H new ATOM 0 HB2 ASP A 56 55.004 6.908 19.387 1.00 5.02 H new ATOM 0 HB3 ASP A 56 54.722 6.987 21.115 1.00 5.02 H new ATOM 823 N ALA A 57 53.627 3.432 21.915 1.00 9.17 N ATOM 824 CA ALA A 57 53.040 3.020 23.185 1.00 12.52 C ATOM 825 C ALA A 57 54.073 3.098 24.304 1.00 14.37 C ATOM 826 O ALA A 57 53.729 3.315 25.466 1.00 15.13 O ATOM 827 CB ALA A 57 52.511 1.589 23.075 1.00 12.36 C ATOM 0 H ALA A 57 53.877 2.664 21.292 1.00 9.17 H new ATOM 0 HA ALA A 57 52.217 3.695 23.419 1.00 12.52 H new ATOM 0 HB1 ALA A 57 52.074 1.288 24.027 1.00 12.36 H new ATOM 0 HB2 ALA A 57 51.750 1.541 22.296 1.00 12.36 H new ATOM 0 HB3 ALA A 57 53.331 0.916 22.824 1.00 12.36 H new ATOM 833 N ASP A 58 55.341 2.921 23.946 1.00 14.32 N ATOM 834 CA ASP A 58 56.417 2.973 24.929 1.00 13.48 C ATOM 835 C ASP A 58 56.867 4.413 25.153 1.00 13.08 C ATOM 836 O ASP A 58 57.626 4.699 26.080 1.00 14.09 O ATOM 837 CB ASP A 58 57.603 2.134 24.450 1.00 11.69 C ATOM 838 CG ASP A 58 57.103 0.910 23.691 1.00 12.70 C ATOM 839 OD1 ASP A 58 56.118 0.332 24.121 1.00 6.62 O ATOM 840 OD2 ASP A 58 57.712 0.568 22.691 1.00 9.36 O ATOM 0 H ASP A 58 55.647 2.742 22.990 1.00 14.32 H new ATOM 0 HA ASP A 58 56.044 2.570 25.871 1.00 13.48 H new ATOM 0 HB2 ASP A 58 58.247 2.733 23.806 1.00 11.69 H new ATOM 0 HB3 ASP A 58 58.206 1.822 25.303 1.00 11.69 H new ATOM 845 N GLY A 59 56.395 5.316 24.300 1.00 13.64 N ATOM 846 CA GLY A 59 56.757 6.724 24.415 1.00 12.80 C ATOM 847 C GLY A 59 58.266 6.909 24.310 1.00 12.45 C ATOM 848 O GLY A 59 58.842 7.778 24.964 1.00 11.32 O ATOM 0 H GLY A 59 55.766 5.100 23.527 1.00 13.64 H new ATOM 0 HA2 GLY A 59 56.261 7.296 23.631 1.00 12.80 H new ATOM 0 HA3 GLY A 59 56.404 7.117 25.368 1.00 12.80 H new ATOM 852 N ASP A 60 58.902 6.086 23.482 1.00 10.86 N ATOM 853 CA ASP A 60 60.347 6.168 23.300 1.00 11.08 C ATOM 854 C ASP A 60 60.697 7.241 22.274 1.00 11.89 C ATOM 855 O ASP A 60 61.847 7.670 22.177 1.00 13.26 O ATOM 856 CB ASP A 60 60.892 4.817 22.833 1.00 13.03 C ATOM 857 CG ASP A 60 60.513 4.576 21.376 1.00 13.27 C ATOM 858 OD1 ASP A 60 59.492 5.096 20.957 1.00 9.09 O ATOM 859 OD2 ASP A 60 61.249 3.876 20.701 1.00 7.54 O ATOM 0 H ASP A 60 58.444 5.360 22.931 1.00 10.86 H new ATOM 0 HA ASP A 60 60.800 6.432 24.255 1.00 11.08 H new ATOM 0 HB2 ASP A 60 61.976 4.795 22.943 1.00 13.03 H new ATOM 0 HB3 ASP A 60 60.492 4.019 23.458 1.00 13.03 H new ATOM 864 N GLY A 61 59.697 7.671 21.511 1.00 11.65 N ATOM 865 CA GLY A 61 59.912 8.696 20.495 1.00 9.60 C ATOM 866 C GLY A 61 60.265 8.066 19.152 1.00 9.33 C ATOM 867 O GLY A 61 60.718 8.750 18.235 1.00 7.68 O ATOM 0 H GLY A 61 58.738 7.330 21.575 1.00 11.65 H new ATOM 0 HA2 GLY A 61 59.014 9.304 20.391 1.00 9.60 H new ATOM 0 HA3 GLY A 61 60.714 9.363 20.810 1.00 9.60 H new ATOM 871 N THR A 62 60.056 6.758 19.044 1.00 6.58 N ATOM 872 CA THR A 62 60.357 6.046 17.808 1.00 6.33 C ATOM 873 C THR A 62 59.468 4.814 17.669 1.00 7.13 C ATOM 874 O THR A 62 58.835 4.382 18.632 1.00 6.30 O ATOM 875 CB THR A 62 61.827 5.620 17.795 1.00 7.99 C ATOM 876 OG1 THR A 62 62.199 5.169 19.090 1.00 9.62 O ATOM 877 CG2 THR A 62 62.701 6.809 17.395 1.00 11.55 C ATOM 0 H THR A 62 59.682 6.173 19.792 1.00 6.58 H new ATOM 0 HA THR A 62 60.165 6.716 16.970 1.00 6.33 H new ATOM 0 HB THR A 62 61.966 4.813 17.076 1.00 7.99 H new ATOM 0 HG1 THR A 62 61.651 4.394 19.336 1.00 9.62 H new ATOM 0 HG21 THR A 62 63.748 6.505 17.386 1.00 11.55 H new ATOM 0 HG22 THR A 62 62.415 7.153 16.401 1.00 11.55 H new ATOM 0 HG23 THR A 62 62.565 7.618 18.112 1.00 11.55 H new ATOM 885 N ILE A 63 59.425 4.255 16.464 1.00 7.32 N ATOM 886 CA ILE A 63 58.609 3.073 16.210 1.00 8.34 C ATOM 887 C ILE A 63 59.490 1.884 15.839 1.00 8.66 C ATOM 888 O ILE A 63 60.484 2.033 15.129 1.00 7.62 O ATOM 889 CB ILE A 63 57.623 3.353 15.075 1.00 8.46 C ATOM 890 CG1 ILE A 63 56.742 4.547 15.451 1.00 10.06 C ATOM 891 CG2 ILE A 63 56.743 2.123 14.848 1.00 7.97 C ATOM 892 CD1 ILE A 63 56.013 5.056 14.206 1.00 9.28 C ATOM 0 H ILE A 63 59.941 4.598 15.654 1.00 7.32 H new ATOM 0 HA ILE A 63 58.057 2.833 17.119 1.00 8.34 H new ATOM 0 HB ILE A 63 58.174 3.579 14.162 1.00 8.46 H new ATOM 0 HG12 ILE A 63 56.020 4.254 16.214 1.00 10.06 H new ATOM 0 HG13 ILE A 63 57.352 5.342 15.879 1.00 10.06 H new ATOM 0 HG21 ILE A 63 56.040 2.323 14.039 1.00 7.97 H new ATOM 0 HG22 ILE A 63 57.369 1.271 14.583 1.00 7.97 H new ATOM 0 HG23 ILE A 63 56.191 1.897 15.760 1.00 7.97 H new ATOM 0 HD11 ILE A 63 55.386 5.906 14.474 1.00 9.28 H new ATOM 0 HD12 ILE A 63 56.743 5.365 13.458 1.00 9.28 H new ATOM 0 HD13 ILE A 63 55.390 4.260 13.798 1.00 9.28 H new ATOM 904 N ASP A 64 59.119 0.704 16.326 1.00 8.67 N ATOM 905 CA ASP A 64 59.885 -0.505 16.041 1.00 8.18 C ATOM 906 C ASP A 64 59.139 -1.393 15.049 1.00 5.74 C ATOM 907 O ASP A 64 58.094 -1.012 14.522 1.00 3.75 O ATOM 908 CB ASP A 64 60.137 -1.279 17.336 1.00 8.75 C ATOM 909 CG ASP A 64 60.637 -0.331 18.421 1.00 7.61 C ATOM 910 OD1 ASP A 64 60.501 -0.670 19.585 1.00 11.33 O ATOM 911 OD2 ASP A 64 61.149 0.720 18.072 1.00 9.97 O ATOM 0 H ASP A 64 58.299 0.559 16.915 1.00 8.67 H new ATOM 0 HA ASP A 64 60.839 -0.214 15.601 1.00 8.18 H new ATOM 0 HB2 ASP A 64 59.218 -1.767 17.663 1.00 8.75 H new ATOM 0 HB3 ASP A 64 60.871 -2.066 17.162 1.00 8.75 H new ATOM 916 N PHE A 65 59.686 -2.579 14.797 1.00 6.48 N ATOM 917 CA PHE A 65 59.066 -3.514 13.865 1.00 6.44 C ATOM 918 C PHE A 65 57.834 -4.174 14.483 1.00 6.12 C ATOM 919 O PHE A 65 56.770 -4.210 13.865 1.00 4.44 O ATOM 920 CB PHE A 65 60.073 -4.594 13.453 1.00 5.02 C ATOM 921 CG PHE A 65 60.130 -4.687 11.946 1.00 5.00 C ATOM 922 CD1 PHE A 65 59.767 -5.877 11.304 1.00 7.40 C ATOM 923 CD2 PHE A 65 60.545 -3.583 11.191 1.00 5.31 C ATOM 924 CE1 PHE A 65 59.818 -5.963 9.908 1.00 6.56 C ATOM 925 CE2 PHE A 65 60.596 -3.669 9.795 1.00 7.32 C ATOM 926 CZ PHE A 65 60.233 -4.859 9.153 1.00 5.90 C ATOM 0 H PHE A 65 60.551 -2.913 15.222 1.00 6.48 H new ATOM 0 HA PHE A 65 58.753 -2.952 12.985 1.00 6.44 H new ATOM 0 HB2 PHE A 65 61.060 -4.356 13.850 1.00 5.02 H new ATOM 0 HB3 PHE A 65 59.783 -5.556 13.876 1.00 5.02 H new ATOM 0 HD1 PHE A 65 59.448 -6.729 11.886 1.00 7.40 H new ATOM 0 HD2 PHE A 65 60.826 -2.665 11.686 1.00 5.31 H new ATOM 0 HE1 PHE A 65 59.537 -6.881 9.413 1.00 6.56 H new ATOM 0 HE2 PHE A 65 60.915 -2.817 9.213 1.00 7.32 H new ATOM 0 HZ PHE A 65 60.273 -4.926 8.076 1.00 5.90 H new ATOM 936 N PRO A 66 57.952 -4.696 15.678 1.00 5.59 N ATOM 937 CA PRO A 66 56.814 -5.367 16.369 1.00 3.90 C ATOM 938 C PRO A 66 55.783 -4.365 16.880 1.00 4.48 C ATOM 939 O PRO A 66 54.649 -4.729 17.188 1.00 6.66 O ATOM 940 CB PRO A 66 57.477 -6.115 17.526 1.00 6.57 C ATOM 941 CG PRO A 66 58.748 -5.384 17.805 1.00 2.24 C ATOM 942 CD PRO A 66 59.174 -4.704 16.501 1.00 3.70 C ATOM 0 HA PRO A 66 56.259 -6.025 15.700 1.00 3.90 H new ATOM 0 HB2 PRO A 66 56.832 -6.128 18.405 1.00 6.57 H new ATOM 0 HB3 PRO A 66 57.673 -7.154 17.259 1.00 6.57 H new ATOM 0 HG2 PRO A 66 58.602 -4.646 18.594 1.00 2.24 H new ATOM 0 HG3 PRO A 66 59.520 -6.072 18.150 1.00 2.24 H new ATOM 0 HD2 PRO A 66 59.539 -3.693 16.681 1.00 3.70 H new ATOM 0 HD3 PRO A 66 59.980 -5.252 16.012 1.00 3.70 H new ATOM 950 N GLU A 67 56.186 -3.101 16.962 1.00 3.17 N ATOM 951 CA GLU A 67 55.287 -2.054 17.432 1.00 5.95 C ATOM 952 C GLU A 67 54.552 -1.418 16.256 1.00 6.62 C ATOM 953 O GLU A 67 53.464 -0.865 16.417 1.00 3.48 O ATOM 954 CB GLU A 67 56.081 -0.982 18.181 1.00 5.69 C ATOM 955 CG GLU A 67 56.685 -1.587 19.450 1.00 5.12 C ATOM 956 CD GLU A 67 57.268 -0.485 20.327 1.00 3.86 C ATOM 957 OE1 GLU A 67 58.453 -0.545 20.611 1.00 7.44 O ATOM 958 OE2 GLU A 67 56.521 0.404 20.702 1.00 5.11 O ATOM 0 H GLU A 67 57.121 -2.779 16.711 1.00 3.17 H new ATOM 0 HA GLU A 67 54.556 -2.500 18.107 1.00 5.95 H new ATOM 0 HB2 GLU A 67 56.871 -0.587 17.542 1.00 5.69 H new ATOM 0 HB3 GLU A 67 55.431 -0.146 18.438 1.00 5.69 H new ATOM 0 HG2 GLU A 67 55.921 -2.135 20.001 1.00 5.12 H new ATOM 0 HG3 GLU A 67 57.463 -2.303 19.186 1.00 5.12 H new ATOM 965 N PHE A 68 55.156 -1.501 15.075 1.00 6.05 N ATOM 966 CA PHE A 68 54.553 -0.930 13.876 1.00 4.52 C ATOM 967 C PHE A 68 53.530 -1.890 13.277 1.00 3.96 C ATOM 968 O PHE A 68 52.565 -1.466 12.640 1.00 5.29 O ATOM 969 CB PHE A 68 55.636 -0.628 12.839 1.00 4.53 C ATOM 970 CG PHE A 68 54.997 -0.443 11.483 1.00 2.68 C ATOM 971 CD1 PHE A 68 53.998 0.521 11.306 1.00 8.58 C ATOM 972 CD2 PHE A 68 55.405 -1.235 10.403 1.00 2.58 C ATOM 973 CE1 PHE A 68 53.405 0.692 10.049 1.00 5.36 C ATOM 974 CE2 PHE A 68 54.813 -1.064 9.146 1.00 7.42 C ATOM 975 CZ PHE A 68 53.813 -0.100 8.969 1.00 2.84 C ATOM 0 H PHE A 68 56.057 -1.955 14.923 1.00 6.05 H new ATOM 0 HA PHE A 68 54.047 -0.006 14.155 1.00 4.52 H new ATOM 0 HB2 PHE A 68 56.183 0.271 13.121 1.00 4.53 H new ATOM 0 HB3 PHE A 68 56.359 -1.443 12.804 1.00 4.53 H new ATOM 0 HD1 PHE A 68 53.684 1.133 12.139 1.00 8.58 H new ATOM 0 HD2 PHE A 68 56.177 -1.978 10.540 1.00 2.58 H new ATOM 0 HE1 PHE A 68 52.633 1.435 9.913 1.00 5.36 H new ATOM 0 HE2 PHE A 68 55.127 -1.675 8.313 1.00 7.42 H new ATOM 0 HZ PHE A 68 53.356 0.033 7.999 1.00 2.84 H new ATOM 985 N LEU A 69 53.740 -3.185 13.494 1.00 3.21 N ATOM 986 CA LEU A 69 52.824 -4.193 12.979 1.00 2.17 C ATOM 987 C LEU A 69 51.645 -4.374 13.930 1.00 2.00 C ATOM 988 O LEU A 69 50.513 -4.586 13.498 1.00 4.25 O ATOM 989 CB LEU A 69 53.556 -5.526 12.807 1.00 4.14 C ATOM 990 CG LEU A 69 54.212 -5.575 11.426 1.00 4.19 C ATOM 991 CD1 LEU A 69 55.612 -6.178 11.545 1.00 3.81 C ATOM 992 CD2 LEU A 69 53.364 -6.439 10.490 1.00 9.43 C ATOM 0 H LEU A 69 54.531 -3.558 14.019 1.00 3.21 H new ATOM 0 HA LEU A 69 52.450 -3.860 12.011 1.00 2.17 H new ATOM 0 HB2 LEU A 69 54.312 -5.641 13.584 1.00 4.14 H new ATOM 0 HB3 LEU A 69 52.856 -6.354 12.918 1.00 4.14 H new ATOM 0 HG LEU A 69 54.285 -4.565 11.024 1.00 4.19 H new ATOM 0 HD11 LEU A 69 56.078 -6.212 10.560 1.00 3.81 H new ATOM 0 HD12 LEU A 69 56.217 -5.564 12.212 1.00 3.81 H new ATOM 0 HD13 LEU A 69 55.540 -7.188 11.948 1.00 3.81 H new ATOM 0 HD21 LEU A 69 53.830 -6.475 9.505 1.00 9.43 H new ATOM 0 HD22 LEU A 69 53.291 -7.449 10.894 1.00 9.43 H new ATOM 0 HD23 LEU A 69 52.366 -6.010 10.403 1.00 9.43 H new ATOM 1004 N THR A 70 51.923 -4.290 15.228 1.00 3.70 N ATOM 1005 CA THR A 70 50.880 -4.446 16.235 1.00 5.12 C ATOM 1006 C THR A 70 49.740 -3.467 15.982 1.00 5.47 C ATOM 1007 O THR A 70 48.589 -3.869 15.812 1.00 6.71 O ATOM 1008 CB THR A 70 51.461 -4.208 17.631 1.00 6.65 C ATOM 1009 OG1 THR A 70 52.679 -3.484 17.517 1.00 7.41 O ATOM 1010 CG2 THR A 70 51.725 -5.552 18.312 1.00 7.53 C ATOM 0 H THR A 70 52.855 -4.116 15.605 1.00 3.70 H new ATOM 0 HA THR A 70 50.491 -5.462 16.173 1.00 5.12 H new ATOM 0 HB THR A 70 50.752 -3.635 18.228 1.00 6.65 H new ATOM 0 HG1 THR A 70 53.435 -4.092 17.657 1.00 7.41 H new ATOM 0 HG21 THR A 70 52.139 -5.381 19.306 1.00 7.53 H new ATOM 0 HG22 THR A 70 50.790 -6.106 18.398 1.00 7.53 H new ATOM 0 HG23 THR A 70 52.434 -6.128 17.718 1.00 7.53 H new ATOM 1018 N MET A 71 50.067 -2.179 15.959 1.00 4.38 N ATOM 1019 CA MET A 71 49.059 -1.151 15.726 1.00 6.23 C ATOM 1020 C MET A 71 48.192 -1.517 14.524 1.00 7.97 C ATOM 1021 O MET A 71 46.986 -1.272 14.520 1.00 7.91 O ATOM 1022 CB MET A 71 49.737 0.200 15.479 1.00 7.76 C ATOM 1023 CG MET A 71 49.448 1.142 16.649 1.00 9.30 C ATOM 1024 SD MET A 71 47.658 1.318 16.855 1.00 11.86 S ATOM 1025 CE MET A 71 47.664 1.628 18.638 1.00 11.60 C ATOM 0 H MET A 71 51.013 -1.824 16.097 1.00 4.38 H new ATOM 0 HA MET A 71 48.425 -1.081 16.610 1.00 6.23 H new ATOM 0 HB2 MET A 71 50.813 0.063 15.367 1.00 7.76 H new ATOM 0 HB3 MET A 71 49.372 0.636 14.549 1.00 7.76 H new ATOM 0 HG2 MET A 71 49.893 0.750 17.564 1.00 9.30 H new ATOM 0 HG3 MET A 71 49.901 2.116 16.466 1.00 9.30 H new ATOM 0 HE1 MET A 71 46.840 1.087 19.104 1.00 11.60 H new ATOM 0 HE2 MET A 71 48.608 1.288 19.063 1.00 11.60 H new ATOM 0 HE3 MET A 71 47.547 2.696 18.822 1.00 11.60 H new ATOM 1035 N MET A 72 48.816 -2.104 13.508 1.00 9.49 N ATOM 1036 CA MET A 72 48.090 -2.499 12.306 1.00 9.20 C ATOM 1037 C MET A 72 47.419 -3.855 12.504 1.00 8.73 C ATOM 1038 O MET A 72 46.327 -4.099 11.989 1.00 8.56 O ATOM 1039 CB MET A 72 49.051 -2.573 11.117 1.00 11.85 C ATOM 1040 CG MET A 72 49.092 -1.217 10.409 1.00 12.33 C ATOM 1041 SD MET A 72 47.722 -1.109 9.232 1.00 22.32 S ATOM 1042 CE MET A 72 48.505 0.043 8.078 1.00 15.46 C ATOM 0 H MET A 72 49.814 -2.315 13.492 1.00 9.49 H new ATOM 0 HA MET A 72 47.321 -1.752 12.108 1.00 9.20 H new ATOM 0 HB2 MET A 72 50.049 -2.847 11.459 1.00 11.85 H new ATOM 0 HB3 MET A 72 48.728 -3.348 10.422 1.00 11.85 H new ATOM 0 HG2 MET A 72 49.022 -0.411 11.140 1.00 12.33 H new ATOM 0 HG3 MET A 72 50.042 -1.095 9.889 1.00 12.33 H new ATOM 0 HE1 MET A 72 47.822 0.254 7.255 1.00 15.46 H new ATOM 0 HE2 MET A 72 48.745 0.971 8.597 1.00 15.46 H new ATOM 0 HE3 MET A 72 49.420 -0.401 7.686 1.00 15.46 H new ATOM 1052 N ALA A 73 48.078 -4.733 13.253 1.00 8.08 N ATOM 1053 CA ALA A 73 47.534 -6.062 13.511 1.00 7.41 C ATOM 1054 C ALA A 73 46.406 -5.992 14.534 1.00 8.06 C ATOM 1055 O ALA A 73 45.286 -6.429 14.269 1.00 5.90 O ATOM 1056 CB ALA A 73 48.638 -6.986 14.028 1.00 9.15 C ATOM 0 H ALA A 73 48.982 -4.551 13.689 1.00 8.08 H new ATOM 0 HA ALA A 73 47.136 -6.458 12.577 1.00 7.41 H new ATOM 0 HB1 ALA A 73 48.224 -7.976 14.218 1.00 9.15 H new ATOM 0 HB2 ALA A 73 49.429 -7.061 13.282 1.00 9.15 H new ATOM 0 HB3 ALA A 73 49.048 -6.580 14.953 1.00 9.15 H new ATOM 1062 N ARG A 74 46.708 -5.439 15.704 1.00 7.07 N ATOM 1063 CA ARG A 74 45.710 -5.317 16.761 1.00 10.51 C ATOM 1064 C ARG A 74 44.391 -4.801 16.194 1.00 13.70 C ATOM 1065 O ARG A 74 43.320 -5.307 16.530 1.00 13.80 O ATOM 1066 CB ARG A 74 46.211 -4.361 17.845 1.00 9.06 C ATOM 1067 CG ARG A 74 46.075 -2.918 17.357 1.00 8.61 C ATOM 1068 CD ARG A 74 46.699 -1.970 18.382 1.00 8.72 C ATOM 1069 NE ARG A 74 46.113 -2.196 19.699 1.00 7.70 N ATOM 1070 CZ ARG A 74 44.940 -1.665 20.029 1.00 10.03 C ATOM 1071 NH1 ARG A 74 44.437 -1.881 21.214 1.00 9.17 N ATOM 1072 NH2 ARG A 74 44.292 -0.928 19.169 1.00 12.90 N ATOM 0 H ARG A 74 47.629 -5.071 15.944 1.00 7.07 H new ATOM 0 HA ARG A 74 45.545 -6.303 17.195 1.00 10.51 H new ATOM 0 HB2 ARG A 74 45.638 -4.501 18.761 1.00 9.06 H new ATOM 0 HB3 ARG A 74 47.252 -4.579 18.084 1.00 9.06 H new ATOM 0 HG2 ARG A 74 46.568 -2.802 16.392 1.00 8.61 H new ATOM 0 HG3 ARG A 74 45.024 -2.670 17.210 1.00 8.61 H new ATOM 0 HD2 ARG A 74 47.777 -2.126 18.424 1.00 8.72 H new ATOM 0 HD3 ARG A 74 46.538 -0.936 18.077 1.00 8.72 H new ATOM 0 HE ARG A 74 46.612 -2.771 20.378 1.00 7.70 H new ATOM 0 HH11 ARG A 74 44.944 -2.457 21.886 1.00 9.17 H new ATOM 0 HH12 ARG A 74 43.537 -1.474 21.468 1.00 9.17 H new ATOM 0 HH21 ARG A 74 44.686 -0.759 18.243 1.00 12.90 H new ATOM 0 HH22 ARG A 74 43.392 -0.521 19.423 1.00 12.90 H new ATOM 1086 N LYS A 75 44.477 -3.792 15.334 1.00 16.35 N ATOM 1087 CA LYS A 75 43.283 -3.216 14.727 1.00 20.00 C ATOM 1088 C LYS A 75 42.419 -4.308 14.105 1.00 24.09 C ATOM 1089 O LYS A 75 41.201 -4.327 14.285 1.00 25.18 O ATOM 1090 CB LYS A 75 43.681 -2.203 13.651 1.00 19.04 C ATOM 1091 CG LYS A 75 43.834 -0.819 14.284 1.00 19.89 C ATOM 1092 CD LYS A 75 44.531 0.120 13.297 1.00 18.07 C ATOM 1093 CE LYS A 75 43.876 1.501 13.356 1.00 18.98 C ATOM 1094 NZ LYS A 75 44.365 2.331 12.219 1.00 19.67 N ATOM 0 H LYS A 75 45.354 -3.359 15.043 1.00 16.35 H new ATOM 0 HA LYS A 75 42.709 -2.713 15.505 1.00 20.00 H new ATOM 0 HB2 LYS A 75 44.617 -2.505 13.181 1.00 19.04 H new ATOM 0 HB3 LYS A 75 42.925 -2.174 12.866 1.00 19.04 H new ATOM 0 HG2 LYS A 75 42.856 -0.420 14.553 1.00 19.89 H new ATOM 0 HG3 LYS A 75 44.413 -0.891 15.205 1.00 19.89 H new ATOM 0 HD2 LYS A 75 45.591 0.198 13.540 1.00 18.07 H new ATOM 0 HD3 LYS A 75 44.464 -0.283 12.286 1.00 18.07 H new ATOM 0 HE2 LYS A 75 42.791 1.403 13.309 1.00 18.98 H new ATOM 0 HE3 LYS A 75 44.112 1.987 14.303 1.00 18.98 H new ATOM 0 HZ1 LYS A 75 43.920 3.270 12.258 1.00 19.67 H new ATOM 0 HZ2 LYS A 75 45.398 2.434 12.283 1.00 19.67 H new ATOM 0 HZ3 LYS A 75 44.119 1.869 11.321 1.00 19.67 H new ATOM 1108 N MET A 76 43.056 -5.216 13.374 1.00 27.98 N ATOM 1109 CA MET A 76 42.335 -6.308 12.731 1.00 31.28 C ATOM 1110 C MET A 76 41.497 -7.071 13.751 1.00 33.28 C ATOM 1111 O MET A 76 40.378 -7.493 13.459 1.00 34.71 O ATOM 1112 CB MET A 76 43.324 -7.264 12.062 1.00 31.71 C ATOM 1113 CG MET A 76 42.577 -8.163 11.075 1.00 33.18 C ATOM 1114 SD MET A 76 42.366 -7.289 9.504 1.00 34.79 S ATOM 1115 CE MET A 76 40.747 -7.976 9.078 1.00 33.37 C ATOM 0 H MET A 76 44.063 -5.218 13.213 1.00 27.98 H new ATOM 0 HA MET A 76 41.671 -5.886 11.976 1.00 31.28 H new ATOM 0 HB2 MET A 76 44.097 -6.699 11.542 1.00 31.71 H new ATOM 0 HB3 MET A 76 43.826 -7.871 12.816 1.00 31.71 H new ATOM 0 HG2 MET A 76 43.132 -9.088 10.917 1.00 33.18 H new ATOM 0 HG3 MET A 76 41.605 -8.440 11.483 1.00 33.18 H new ATOM 0 HE1 MET A 76 40.417 -7.565 8.124 1.00 33.37 H new ATOM 0 HE2 MET A 76 40.821 -9.061 8.999 1.00 33.37 H new ATOM 0 HE3 MET A 76 40.026 -7.717 9.854 1.00 33.37 H new ATOM 1125 N LYS A 77 42.046 -7.245 14.949 1.00 35.40 N ATOM 1126 CA LYS A 77 41.339 -7.960 16.005 1.00 36.50 C ATOM 1127 C LYS A 77 40.614 -6.981 16.923 1.00 37.55 C ATOM 1128 O LYS A 77 40.592 -7.158 18.141 1.00 37.57 O ATOM 1129 CB LYS A 77 42.327 -8.794 16.824 1.00 36.85 C ATOM 1130 CG LYS A 77 41.605 -10.006 17.416 1.00 37.43 C ATOM 1131 CD LYS A 77 42.433 -10.583 18.566 1.00 37.60 C ATOM 1132 CE LYS A 77 41.770 -11.861 19.082 1.00 37.65 C ATOM 1133 NZ LYS A 77 42.810 -12.768 19.645 1.00 35.44 N ATOM 0 H LYS A 77 42.971 -6.904 15.211 1.00 35.40 H new ATOM 0 HA LYS A 77 40.604 -8.619 15.542 1.00 36.50 H new ATOM 0 HB2 LYS A 77 43.153 -9.122 16.193 1.00 36.85 H new ATOM 0 HB3 LYS A 77 42.757 -8.188 17.622 1.00 36.85 H new ATOM 0 HG2 LYS A 77 40.618 -9.715 17.775 1.00 37.43 H new ATOM 0 HG3 LYS A 77 41.454 -10.764 16.647 1.00 37.43 H new ATOM 0 HD2 LYS A 77 43.446 -10.798 18.226 1.00 37.60 H new ATOM 0 HD3 LYS A 77 42.515 -9.853 19.371 1.00 37.60 H new ATOM 0 HE2 LYS A 77 41.032 -11.617 19.846 1.00 37.65 H new ATOM 0 HE3 LYS A 77 41.237 -12.360 18.272 1.00 37.65 H new ATOM 0 HZ1 LYS A 77 42.359 -13.637 19.996 1.00 35.44 H new ATOM 0 HZ2 LYS A 77 43.498 -13.010 18.904 1.00 35.44 H new ATOM 0 HZ3 LYS A 77 43.299 -12.291 20.429 1.00 35.44 H new ATOM 1147 N ASP A 78 40.023 -5.949 16.331 1.00 38.44 N ATOM 1148 CA ASP A 78 39.300 -4.947 17.106 1.00 38.90 C ATOM 1149 C ASP A 78 38.258 -4.248 16.238 1.00 38.64 C ATOM 1150 O ASP A 78 38.084 -4.585 15.067 1.00 38.62 O ATOM 1151 CB ASP A 78 40.279 -3.913 17.665 1.00 39.45 C ATOM 1152 CG ASP A 78 40.575 -4.216 19.130 1.00 40.62 C ATOM 1153 OD1 ASP A 78 40.550 -5.381 19.491 1.00 41.55 O ATOM 1154 OD2 ASP A 78 40.823 -3.277 19.870 1.00 42.58 O ATOM 0 H ASP A 78 40.030 -5.785 15.324 1.00 38.44 H new ATOM 0 HA ASP A 78 38.792 -5.448 17.930 1.00 38.90 H new ATOM 0 HB2 ASP A 78 41.204 -3.926 17.088 1.00 39.45 H new ATOM 0 HB3 ASP A 78 39.858 -2.912 17.570 1.00 39.45 H new ATOM 1159 N THR A 79 37.569 -3.272 16.820 1.00 38.19 N ATOM 1160 CA THR A 79 36.547 -2.531 16.090 1.00 37.86 C ATOM 1161 C THR A 79 37.190 -1.600 15.067 1.00 37.73 C ATOM 1162 O THR A 79 38.376 -1.284 15.160 1.00 37.97 O ATOM 1163 CB THR A 79 35.697 -1.713 17.065 1.00 37.85 C ATOM 1164 OG1 THR A 79 35.690 -2.352 18.334 1.00 37.57 O ATOM 1165 CG2 THR A 79 34.267 -1.609 16.536 1.00 38.40 C ATOM 0 H THR A 79 37.698 -2.977 17.788 1.00 38.19 H new ATOM 0 HA THR A 79 35.911 -3.245 15.566 1.00 37.86 H new ATOM 0 HB THR A 79 36.118 -0.712 17.163 1.00 37.85 H new ATOM 0 HG1 THR A 79 35.148 -1.829 18.961 1.00 37.57 H new ATOM 0 HG21 THR A 79 33.663 -1.026 17.232 1.00 38.40 H new ATOM 0 HG22 THR A 79 34.274 -1.119 15.563 1.00 38.40 H new ATOM 0 HG23 THR A 79 33.842 -2.608 16.436 1.00 38.40 H new ATOM 1173 N ASP A 80 36.399 -1.164 14.092 1.00 36.93 N ATOM 1174 CA ASP A 80 36.903 -0.269 13.057 1.00 35.96 C ATOM 1175 C ASP A 80 36.097 1.026 13.029 1.00 34.62 C ATOM 1176 O ASP A 80 34.897 1.028 13.301 1.00 34.15 O ATOM 1177 CB ASP A 80 36.820 -0.952 11.690 1.00 36.21 C ATOM 1178 CG ASP A 80 37.703 -0.218 10.686 1.00 36.84 C ATOM 1179 OD1 ASP A 80 37.168 0.277 9.708 1.00 37.34 O ATOM 1180 OD2 ASP A 80 38.901 -0.162 10.911 1.00 37.51 O ATOM 0 H ASP A 80 35.415 -1.413 13.997 1.00 36.93 H new ATOM 0 HA ASP A 80 37.943 -0.032 13.283 1.00 35.96 H new ATOM 0 HB2 ASP A 80 37.137 -1.992 11.774 1.00 36.21 H new ATOM 0 HB3 ASP A 80 35.788 -0.961 11.341 1.00 36.21 H new ATOM 1185 N SER A 81 36.767 2.126 12.700 1.00 33.12 N ATOM 1186 CA SER A 81 36.103 3.424 12.640 1.00 32.50 C ATOM 1187 C SER A 81 36.029 3.922 11.201 1.00 31.96 C ATOM 1188 O SER A 81 37.053 4.088 10.538 1.00 32.51 O ATOM 1189 CB SER A 81 36.863 4.438 13.495 1.00 32.54 C ATOM 1190 OG SER A 81 36.707 4.106 14.868 1.00 31.58 O ATOM 0 H SER A 81 37.761 2.146 12.473 1.00 33.12 H new ATOM 0 HA SER A 81 35.090 3.311 13.025 1.00 32.50 H new ATOM 0 HB2 SER A 81 37.919 4.438 13.227 1.00 32.54 H new ATOM 0 HB3 SER A 81 36.487 5.444 13.307 1.00 32.54 H new ATOM 0 HG SER A 81 37.195 4.754 15.419 1.00 31.58 H new ATOM 1196 N GLU A 82 34.811 4.159 10.723 1.00 30.82 N ATOM 1197 CA GLU A 82 34.616 4.638 9.360 1.00 29.89 C ATOM 1198 C GLU A 82 35.173 6.050 9.203 1.00 28.70 C ATOM 1199 O GLU A 82 35.280 6.564 8.090 1.00 28.16 O ATOM 1200 CB GLU A 82 33.125 4.635 9.014 1.00 30.37 C ATOM 1201 CG GLU A 82 32.470 3.378 9.590 1.00 31.12 C ATOM 1202 CD GLU A 82 33.404 2.183 9.428 1.00 32.64 C ATOM 1203 OE1 GLU A 82 33.276 1.487 8.434 1.00 34.28 O ATOM 1204 OE2 GLU A 82 34.232 1.981 10.300 1.00 32.86 O ATOM 0 H GLU A 82 33.951 4.028 11.255 1.00 30.82 H new ATOM 0 HA GLU A 82 35.148 3.972 8.681 1.00 29.89 H new ATOM 0 HB2 GLU A 82 32.645 5.526 9.419 1.00 30.37 H new ATOM 0 HB3 GLU A 82 32.992 4.664 7.933 1.00 30.37 H new ATOM 0 HG2 GLU A 82 32.239 3.529 10.644 1.00 31.12 H new ATOM 0 HG3 GLU A 82 31.526 3.184 9.081 1.00 31.12 H new ATOM 1211 N GLU A 83 35.526 6.670 10.324 1.00 27.40 N ATOM 1212 CA GLU A 83 36.071 8.023 10.298 1.00 26.44 C ATOM 1213 C GLU A 83 37.316 8.083 9.419 1.00 24.80 C ATOM 1214 O GLU A 83 37.573 9.090 8.759 1.00 24.59 O ATOM 1215 CB GLU A 83 36.424 8.470 11.718 1.00 26.68 C ATOM 1216 CG GLU A 83 35.139 8.725 12.508 1.00 28.12 C ATOM 1217 CD GLU A 83 35.458 9.479 13.794 1.00 29.86 C ATOM 1218 OE1 GLU A 83 35.779 8.829 14.775 1.00 30.91 O ATOM 1219 OE2 GLU A 83 35.377 10.697 13.779 1.00 30.49 O ATOM 0 H GLU A 83 35.446 6.261 11.255 1.00 27.40 H new ATOM 0 HA GLU A 83 35.316 8.691 9.884 1.00 26.44 H new ATOM 0 HB2 GLU A 83 37.022 7.705 12.213 1.00 26.68 H new ATOM 0 HB3 GLU A 83 37.029 9.376 11.685 1.00 26.68 H new ATOM 0 HG2 GLU A 83 34.439 9.301 11.903 1.00 28.12 H new ATOM 0 HG3 GLU A 83 34.653 7.778 12.743 1.00 28.12 H new ATOM 1226 N GLU A 84 38.086 7.000 9.417 1.00 22.86 N ATOM 1227 CA GLU A 84 39.303 6.942 8.615 1.00 21.10 C ATOM 1228 C GLU A 84 38.979 6.555 7.175 1.00 19.58 C ATOM 1229 O GLU A 84 39.486 7.161 6.231 1.00 18.69 O ATOM 1230 CB GLU A 84 40.274 5.922 9.213 1.00 21.32 C ATOM 1231 CG GLU A 84 41.270 6.639 10.126 1.00 21.26 C ATOM 1232 CD GLU A 84 40.542 7.665 10.988 1.00 20.61 C ATOM 1233 OE1 GLU A 84 40.011 7.276 12.015 1.00 18.73 O ATOM 1234 OE2 GLU A 84 40.526 8.824 10.608 1.00 19.88 O ATOM 0 H GLU A 84 37.891 6.157 9.957 1.00 22.86 H new ATOM 0 HA GLU A 84 39.765 7.929 8.618 1.00 21.10 H new ATOM 0 HB2 GLU A 84 39.724 5.169 9.777 1.00 21.32 H new ATOM 0 HB3 GLU A 84 40.805 5.400 8.417 1.00 21.32 H new ATOM 0 HG2 GLU A 84 41.780 5.915 10.761 1.00 21.26 H new ATOM 0 HG3 GLU A 84 42.035 7.133 9.527 1.00 21.26 H new ATOM 1241 N ILE A 85 38.133 5.543 7.016 1.00 18.05 N ATOM 1242 CA ILE A 85 37.749 5.083 5.686 1.00 17.24 C ATOM 1243 C ILE A 85 37.287 6.254 4.824 1.00 15.64 C ATOM 1244 O ILE A 85 37.503 6.268 3.613 1.00 14.56 O ATOM 1245 CB ILE A 85 36.623 4.053 5.795 1.00 17.25 C ATOM 1246 CG1 ILE A 85 37.132 2.821 6.549 1.00 18.63 C ATOM 1247 CG2 ILE A 85 36.170 3.640 4.394 1.00 19.17 C ATOM 1248 CD1 ILE A 85 35.978 1.839 6.759 1.00 18.98 C ATOM 0 H ILE A 85 37.703 5.029 7.785 1.00 18.05 H new ATOM 0 HA ILE A 85 38.619 4.623 5.217 1.00 17.24 H new ATOM 0 HB ILE A 85 35.782 4.490 6.334 1.00 17.25 H new ATOM 0 HG12 ILE A 85 37.933 2.342 5.986 1.00 18.63 H new ATOM 0 HG13 ILE A 85 37.551 3.117 7.511 1.00 18.63 H new ATOM 0 HG21 ILE A 85 35.368 2.906 4.473 1.00 19.17 H new ATOM 0 HG22 ILE A 85 35.809 4.516 3.855 1.00 19.17 H new ATOM 0 HG23 ILE A 85 37.010 3.203 3.854 1.00 19.17 H new ATOM 0 HD11 ILE A 85 36.340 0.962 7.296 1.00 18.98 H new ATOM 0 HD12 ILE A 85 35.191 2.321 7.340 1.00 18.98 H new ATOM 0 HD13 ILE A 85 35.579 1.534 5.792 1.00 18.98 H new ATOM 1260 N ARG A 86 36.651 7.234 5.457 1.00 14.41 N ATOM 1261 CA ARG A 86 36.163 8.404 4.737 1.00 13.90 C ATOM 1262 C ARG A 86 37.278 9.430 4.561 1.00 12.70 C ATOM 1263 O ARG A 86 37.556 9.874 3.447 1.00 11.99 O ATOM 1264 CB ARG A 86 34.998 9.039 5.499 1.00 14.24 C ATOM 1265 CG ARG A 86 35.438 9.363 6.928 1.00 17.61 C ATOM 1266 CD ARG A 86 34.207 9.645 7.790 1.00 20.77 C ATOM 1267 NE ARG A 86 33.133 10.197 6.972 1.00 24.52 N ATOM 1268 CZ ARG A 86 31.953 10.502 7.501 1.00 25.58 C ATOM 1269 NH1 ARG A 86 31.008 10.995 6.748 1.00 26.77 N ATOM 1270 NH2 ARG A 86 31.740 10.310 8.774 1.00 26.85 N ATOM 0 H ARG A 86 36.463 7.242 6.459 1.00 14.41 H new ATOM 0 HA ARG A 86 35.821 8.084 3.753 1.00 13.90 H new ATOM 0 HB2 ARG A 86 34.671 9.947 4.993 1.00 14.24 H new ATOM 0 HB3 ARG A 86 34.146 8.359 5.515 1.00 14.24 H new ATOM 0 HG2 ARG A 86 36.003 8.529 7.344 1.00 17.61 H new ATOM 0 HG3 ARG A 86 36.101 10.228 6.928 1.00 17.61 H new ATOM 0 HD2 ARG A 86 33.872 8.725 8.270 1.00 20.77 H new ATOM 0 HD3 ARG A 86 34.464 10.344 8.586 1.00 20.77 H new ATOM 0 HE ARG A 86 33.291 10.352 5.976 1.00 24.52 H new ATOM 0 HH11 ARG A 86 31.175 11.146 5.753 1.00 26.77 H new ATOM 0 HH12 ARG A 86 30.102 11.229 7.154 1.00 26.77 H new ATOM 0 HH21 ARG A 86 32.479 9.926 9.363 1.00 26.85 H new ATOM 0 HH22 ARG A 86 30.834 10.544 9.181 1.00 26.85 H new ATOM 1284 N GLU A 87 37.912 9.803 5.667 1.00 11.87 N ATOM 1285 CA GLU A 87 38.995 10.779 5.624 1.00 11.27 C ATOM 1286 C GLU A 87 40.116 10.299 4.707 1.00 10.38 C ATOM 1287 O GLU A 87 40.698 11.084 3.959 1.00 9.38 O ATOM 1288 CB GLU A 87 39.548 11.008 7.032 1.00 11.16 C ATOM 1289 CG GLU A 87 39.738 12.507 7.269 1.00 12.67 C ATOM 1290 CD GLU A 87 40.548 12.736 8.540 1.00 13.78 C ATOM 1291 OE1 GLU A 87 39.956 13.120 9.536 1.00 15.83 O ATOM 1292 OE2 GLU A 87 41.749 12.523 8.501 1.00 16.48 O ATOM 0 H GLU A 87 37.697 9.447 6.599 1.00 11.87 H new ATOM 0 HA GLU A 87 38.598 11.716 5.232 1.00 11.27 H new ATOM 0 HB2 GLU A 87 38.864 10.596 7.774 1.00 11.16 H new ATOM 0 HB3 GLU A 87 40.498 10.487 7.150 1.00 11.16 H new ATOM 0 HG2 GLU A 87 40.248 12.956 6.417 1.00 12.67 H new ATOM 0 HG3 GLU A 87 38.768 12.996 7.353 1.00 12.67 H new ATOM 1299 N ALA A 88 40.413 9.005 4.770 1.00 9.34 N ATOM 1300 CA ALA A 88 41.467 8.432 3.941 1.00 9.01 C ATOM 1301 C ALA A 88 41.027 8.362 2.483 1.00 8.92 C ATOM 1302 O ALA A 88 41.849 8.449 1.571 1.00 8.79 O ATOM 1303 CB ALA A 88 41.817 7.028 4.438 1.00 9.91 C ATOM 0 H ALA A 88 39.943 8.338 5.382 1.00 9.34 H new ATOM 0 HA ALA A 88 42.346 9.073 4.012 1.00 9.01 H new ATOM 0 HB1 ALA A 88 42.605 6.607 3.814 1.00 9.91 H new ATOM 0 HB2 ALA A 88 42.163 7.083 5.470 1.00 9.91 H new ATOM 0 HB3 ALA A 88 40.933 6.392 4.385 1.00 9.91 H new ATOM 1309 N PHE A 89 39.724 8.204 2.269 1.00 7.54 N ATOM 1310 CA PHE A 89 39.187 8.123 0.916 1.00 7.23 C ATOM 1311 C PHE A 89 39.198 9.496 0.250 1.00 8.19 C ATOM 1312 O PHE A 89 39.601 9.633 -0.905 1.00 8.53 O ATOM 1313 CB PHE A 89 37.756 7.584 0.953 1.00 7.14 C ATOM 1314 CG PHE A 89 37.239 7.436 -0.457 1.00 5.05 C ATOM 1315 CD1 PHE A 89 37.168 6.169 -1.047 1.00 4.80 C ATOM 1316 CD2 PHE A 89 36.833 8.567 -1.175 1.00 5.56 C ATOM 1317 CE1 PHE A 89 36.690 6.032 -2.356 1.00 7.76 C ATOM 1318 CE2 PHE A 89 36.355 8.430 -2.483 1.00 2.16 C ATOM 1319 CZ PHE A 89 36.284 7.163 -3.074 1.00 6.19 C ATOM 0 H PHE A 89 39.026 8.130 3.009 1.00 7.54 H new ATOM 0 HA PHE A 89 39.816 7.446 0.337 1.00 7.23 H new ATOM 0 HB2 PHE A 89 37.731 6.621 1.464 1.00 7.14 H new ATOM 0 HB3 PHE A 89 37.115 8.261 1.518 1.00 7.14 H new ATOM 0 HD1 PHE A 89 37.482 5.297 -0.493 1.00 4.80 H new ATOM 0 HD2 PHE A 89 36.889 9.545 -0.720 1.00 5.56 H new ATOM 0 HE1 PHE A 89 36.635 5.054 -2.811 1.00 7.76 H new ATOM 0 HE2 PHE A 89 36.041 9.302 -3.037 1.00 2.16 H new ATOM 0 HZ PHE A 89 35.916 7.058 -4.084 1.00 6.19 H new ATOM 1329 N ARG A 90 38.752 10.509 0.985 1.00 8.03 N ATOM 1330 CA ARG A 90 38.714 11.867 0.455 1.00 8.76 C ATOM 1331 C ARG A 90 40.122 12.449 0.374 1.00 7.43 C ATOM 1332 O ARG A 90 40.363 13.420 -0.344 1.00 6.92 O ATOM 1333 CB ARG A 90 37.841 12.753 1.347 1.00 8.74 C ATOM 1334 CG ARG A 90 38.688 13.334 2.481 1.00 13.55 C ATOM 1335 CD ARG A 90 37.777 14.037 3.489 1.00 14.45 C ATOM 1336 NE ARG A 90 38.467 15.175 4.085 1.00 17.08 N ATOM 1337 CZ ARG A 90 38.048 15.713 5.225 1.00 17.02 C ATOM 1338 NH1 ARG A 90 38.682 16.732 5.738 1.00 17.58 N ATOM 1339 NH2 ARG A 90 37.002 15.223 5.832 1.00 17.03 N ATOM 0 H ARG A 90 38.414 10.417 1.943 1.00 8.03 H new ATOM 0 HA ARG A 90 38.289 11.834 -0.548 1.00 8.76 H new ATOM 0 HB2 ARG A 90 37.402 13.558 0.758 1.00 8.74 H new ATOM 0 HB3 ARG A 90 37.015 12.172 1.757 1.00 8.74 H new ATOM 0 HG2 ARG A 90 39.249 12.540 2.974 1.00 13.55 H new ATOM 0 HG3 ARG A 90 39.417 14.038 2.081 1.00 13.55 H new ATOM 0 HD2 ARG A 90 36.866 14.374 2.994 1.00 14.45 H new ATOM 0 HD3 ARG A 90 37.476 13.337 4.268 1.00 14.45 H new ATOM 0 HE ARG A 90 39.286 15.565 3.618 1.00 17.08 H new ATOM 0 HH11 ARG A 90 39.499 17.115 5.264 1.00 17.58 H new ATOM 0 HH12 ARG A 90 38.360 17.145 6.613 1.00 17.58 H new ATOM 0 HH21 ARG A 90 36.506 14.427 5.431 1.00 17.03 H new ATOM 0 HH22 ARG A 90 36.680 15.636 6.707 1.00 17.03 H new ATOM 1353 N VAL A 91 41.047 11.850 1.116 1.00 7.00 N ATOM 1354 CA VAL A 91 42.429 12.318 1.121 1.00 6.43 C ATOM 1355 C VAL A 91 43.067 12.122 -0.251 1.00 6.80 C ATOM 1356 O VAL A 91 43.988 12.848 -0.626 1.00 5.87 O ATOM 1357 CB VAL A 91 43.234 11.555 2.174 1.00 6.46 C ATOM 1358 CG1 VAL A 91 44.723 11.623 1.827 1.00 7.40 C ATOM 1359 CG2 VAL A 91 43.003 12.187 3.548 1.00 7.82 C ATOM 0 H VAL A 91 40.868 11.046 1.717 1.00 7.00 H new ATOM 0 HA VAL A 91 42.432 13.381 1.361 1.00 6.43 H new ATOM 0 HB VAL A 91 42.912 10.514 2.193 1.00 6.46 H new ATOM 0 HG11 VAL A 91 45.297 11.079 2.578 1.00 7.40 H new ATOM 0 HG12 VAL A 91 44.889 11.174 0.848 1.00 7.40 H new ATOM 0 HG13 VAL A 91 45.045 12.664 1.808 1.00 7.40 H new ATOM 0 HG21 VAL A 91 43.576 11.644 4.299 1.00 7.82 H new ATOM 0 HG22 VAL A 91 43.325 13.228 3.528 1.00 7.82 H new ATOM 0 HG23 VAL A 91 41.943 12.140 3.797 1.00 7.82 H new ATOM 1369 N PHE A 92 42.573 11.137 -0.994 0.50 6.77 N ATOM 1370 CA PHE A 92 43.105 10.856 -2.322 0.50 7.12 C ATOM 1371 C PHE A 92 42.274 11.553 -3.395 0.50 7.91 C ATOM 1372 O PHE A 92 42.813 12.242 -4.261 0.50 9.11 O ATOM 1373 CB PHE A 92 43.105 9.347 -2.575 0.50 7.14 C ATOM 1374 CG PHE A 92 44.178 8.695 -1.737 0.50 4.87 C ATOM 1375 CD1 PHE A 92 45.233 8.014 -2.356 0.50 6.96 C ATOM 1376 CD2 PHE A 92 44.119 8.772 -0.340 0.50 4.32 C ATOM 1377 CE1 PHE A 92 46.229 7.410 -1.579 0.50 5.48 C ATOM 1378 CE2 PHE A 92 45.114 8.168 0.437 0.50 6.74 C ATOM 1379 CZ PHE A 92 46.169 7.487 -0.182 0.50 6.55 C ATOM 0 H PHE A 92 41.811 10.525 -0.702 0.50 6.77 H new ATOM 0 HA PHE A 92 44.126 11.234 -2.369 0.50 7.12 H new ATOM 0 HB2 PHE A 92 42.130 8.926 -2.328 0.50 7.14 H new ATOM 0 HB3 PHE A 92 43.281 9.145 -3.632 0.50 7.14 H new ATOM 0 HD1 PHE A 92 45.279 7.954 -3.433 0.50 6.96 H new ATOM 0 HD2 PHE A 92 43.305 9.298 0.138 0.50 4.32 H new ATOM 0 HE1 PHE A 92 47.043 6.885 -2.057 0.50 5.48 H new ATOM 0 HE2 PHE A 92 45.068 8.227 1.514 0.50 6.74 H new ATOM 0 HZ PHE A 92 46.937 7.021 0.418 0.50 6.55 H new ATOM 1389 N ASP A 93 40.959 11.368 -3.332 1.00 8.87 N ATOM 1390 CA ASP A 93 40.064 11.983 -4.305 1.00 8.42 C ATOM 1391 C ASP A 93 40.023 13.496 -4.116 1.00 8.51 C ATOM 1392 O ASP A 93 39.011 14.050 -3.690 1.00 8.68 O ATOM 1393 CB ASP A 93 38.654 11.410 -4.153 1.00 9.10 C ATOM 1394 CG ASP A 93 37.908 11.502 -5.479 1.00 10.79 C ATOM 1395 OD1 ASP A 93 38.557 11.723 -6.488 1.00 11.11 O ATOM 1396 OD2 ASP A 93 36.697 11.349 -5.467 1.00 7.32 O ATOM 0 H ASP A 93 40.493 10.802 -2.623 1.00 8.87 H new ATOM 0 HA ASP A 93 40.440 11.764 -5.304 1.00 8.42 H new ATOM 0 HB2 ASP A 93 38.708 10.371 -3.828 1.00 9.10 H new ATOM 0 HB3 ASP A 93 38.111 11.957 -3.382 1.00 9.10 H new ATOM 1401 N LYS A 94 41.134 14.156 -4.426 1.00 9.41 N ATOM 1402 CA LYS A 94 41.221 15.605 -4.281 1.00 9.18 C ATOM 1403 C LYS A 94 40.017 16.296 -4.917 1.00 9.05 C ATOM 1404 O LYS A 94 39.729 17.455 -4.619 1.00 7.14 O ATOM 1405 CB LYS A 94 42.506 16.117 -4.934 1.00 9.58 C ATOM 1406 CG LYS A 94 42.872 15.216 -6.116 1.00 10.67 C ATOM 1407 CD LYS A 94 43.679 16.018 -7.139 1.00 11.93 C ATOM 1408 CE LYS A 94 44.989 16.485 -6.503 1.00 14.25 C ATOM 1409 NZ LYS A 94 44.893 17.935 -6.173 1.00 14.57 N ATOM 0 H LYS A 94 41.983 13.713 -4.778 1.00 9.41 H new ATOM 0 HA LYS A 94 41.230 15.838 -3.216 1.00 9.18 H new ATOM 0 HB2 LYS A 94 42.370 17.144 -5.274 1.00 9.58 H new ATOM 0 HB3 LYS A 94 43.317 16.127 -4.206 1.00 9.58 H new ATOM 0 HG2 LYS A 94 43.452 14.361 -5.769 1.00 10.67 H new ATOM 0 HG3 LYS A 94 41.968 14.821 -6.579 1.00 10.67 H new ATOM 0 HD2 LYS A 94 43.887 15.405 -8.016 1.00 11.93 H new ATOM 0 HD3 LYS A 94 43.102 16.877 -7.480 1.00 11.93 H new ATOM 0 HE2 LYS A 94 45.193 15.909 -5.601 1.00 14.25 H new ATOM 0 HE3 LYS A 94 45.820 16.311 -7.187 1.00 14.25 H new ATOM 0 HZ1 LYS A 94 45.848 18.323 -6.032 1.00 14.57 H new ATOM 0 HZ2 LYS A 94 44.426 18.439 -6.954 1.00 14.57 H new ATOM 0 HZ3 LYS A 94 44.338 18.057 -5.302 1.00 14.57 H new ATOM 1423 N ASP A 95 39.317 15.584 -5.796 1.00 7.02 N ATOM 1424 CA ASP A 95 38.149 16.152 -6.464 1.00 7.13 C ATOM 1425 C ASP A 95 36.943 16.157 -5.528 1.00 6.43 C ATOM 1426 O ASP A 95 35.929 16.796 -5.808 1.00 4.43 O ATOM 1427 CB ASP A 95 37.819 15.340 -7.718 1.00 6.49 C ATOM 1428 CG ASP A 95 38.422 16.011 -8.947 1.00 8.86 C ATOM 1429 OD1 ASP A 95 38.061 15.624 -10.046 1.00 6.70 O ATOM 1430 OD2 ASP A 95 39.237 16.902 -8.772 1.00 10.20 O ATOM 0 H ASP A 95 39.534 14.623 -6.061 1.00 7.02 H new ATOM 0 HA ASP A 95 38.380 17.179 -6.745 1.00 7.13 H new ATOM 0 HB2 ASP A 95 38.209 14.327 -7.618 1.00 6.49 H new ATOM 0 HB3 ASP A 95 36.738 15.256 -7.833 1.00 6.49 H new ATOM 1435 N GLY A 96 37.065 15.441 -4.417 1.00 5.66 N ATOM 1436 CA GLY A 96 35.982 15.365 -3.443 1.00 5.97 C ATOM 1437 C GLY A 96 34.723 14.776 -4.069 1.00 6.08 C ATOM 1438 O GLY A 96 33.652 14.791 -3.462 1.00 6.24 O ATOM 0 H GLY A 96 37.898 14.907 -4.168 1.00 5.66 H new ATOM 0 HA2 GLY A 96 36.292 14.752 -2.596 1.00 5.97 H new ATOM 0 HA3 GLY A 96 35.767 16.360 -3.054 1.00 5.97 H new ATOM 1442 N ASN A 97 34.859 14.256 -5.285 1.00 6.39 N ATOM 1443 CA ASN A 97 33.723 13.661 -5.981 1.00 5.87 C ATOM 1444 C ASN A 97 33.308 12.358 -5.306 1.00 5.88 C ATOM 1445 O ASN A 97 32.392 11.673 -5.763 1.00 5.75 O ATOM 1446 CB ASN A 97 34.089 13.389 -7.441 1.00 5.90 C ATOM 1447 CG ASN A 97 35.370 12.565 -7.513 1.00 4.39 C ATOM 1448 OD1 ASN A 97 36.475 13.048 -7.012 1.00 7.56 O flip ATOM 1449 ND2 ASN A 97 35.365 11.453 -8.040 1.00 7.07 N flip ATOM 0 H ASN A 97 35.736 14.234 -5.805 1.00 6.39 H new ATOM 0 HA ASN A 97 32.888 14.360 -5.942 1.00 5.87 H new ATOM 0 HB2 ASN A 97 33.276 12.857 -7.935 1.00 5.90 H new ATOM 0 HB3 ASN A 97 34.223 14.331 -7.973 1.00 5.90 H new ATOM 0 HD21 ASN A 97 34.501 11.078 -8.431 1.00 7.07 H new ATOM 0 HD22 ASN A 97 36.225 10.907 -8.086 1.00 7.07 H new ATOM 1456 N GLY A 98 33.989 12.024 -4.216 1.00 6.14 N ATOM 1457 CA GLY A 98 33.686 10.801 -3.481 1.00 6.32 C ATOM 1458 C GLY A 98 33.980 9.568 -4.327 1.00 7.08 C ATOM 1459 O GLY A 98 33.607 8.452 -3.966 1.00 6.67 O ATOM 0 H GLY A 98 34.750 12.578 -3.823 1.00 6.14 H new ATOM 0 HA2 GLY A 98 34.276 10.767 -2.565 1.00 6.32 H new ATOM 0 HA3 GLY A 98 32.637 10.801 -3.184 1.00 6.32 H new ATOM 1463 N TYR A 99 34.652 9.776 -5.455 0.50 7.47 N ATOM 1464 CA TYR A 99 34.992 8.672 -6.345 0.50 7.60 C ATOM 1465 C TYR A 99 36.472 8.717 -6.714 0.50 7.45 C ATOM 1466 O TYR A 99 37.016 9.781 -7.010 0.50 7.71 O ATOM 1467 CB TYR A 99 34.145 8.746 -7.617 0.50 7.79 C ATOM 1468 CG TYR A 99 32.782 9.303 -7.283 0.50 7.27 C ATOM 1469 CD1 TYR A 99 32.284 10.406 -7.987 0.50 9.00 C ATOM 1470 CD2 TYR A 99 32.016 8.717 -6.268 0.50 6.58 C ATOM 1471 CE1 TYR A 99 31.020 10.922 -7.677 0.50 5.79 C ATOM 1472 CE2 TYR A 99 30.752 9.233 -5.958 0.50 6.90 C ATOM 1473 CZ TYR A 99 30.254 10.336 -6.663 0.50 6.97 C ATOM 1474 OH TYR A 99 29.008 10.845 -6.357 0.50 5.02 O ATOM 0 H TYR A 99 34.970 10.692 -5.773 0.50 7.47 H new ATOM 0 HA TYR A 99 34.787 7.736 -5.826 0.50 7.60 H new ATOM 0 HB2 TYR A 99 34.636 9.377 -8.357 0.50 7.79 H new ATOM 0 HB3 TYR A 99 34.046 7.755 -8.059 0.50 7.79 H new ATOM 0 HD1 TYR A 99 32.875 10.859 -8.769 0.50 9.00 H new ATOM 0 HD2 TYR A 99 32.400 7.867 -5.724 0.50 6.58 H new ATOM 0 HE1 TYR A 99 30.636 11.773 -8.221 0.50 5.79 H new ATOM 0 HE2 TYR A 99 30.161 8.781 -5.175 0.50 6.90 H new ATOM 0 HH TYR A 99 28.610 10.321 -5.630 0.50 5.02 H new ATOM 1484 N ILE A 100 37.117 7.555 -6.693 1.00 6.94 N ATOM 1485 CA ILE A 100 38.534 7.474 -7.027 1.00 6.30 C ATOM 1486 C ILE A 100 38.741 6.633 -8.282 1.00 6.51 C ATOM 1487 O ILE A 100 38.599 5.410 -8.252 1.00 6.57 O ATOM 1488 CB ILE A 100 39.311 6.855 -5.863 1.00 5.54 C ATOM 1489 CG1 ILE A 100 39.494 7.901 -4.761 1.00 9.03 C ATOM 1490 CG2 ILE A 100 40.682 6.388 -6.355 1.00 4.76 C ATOM 1491 CD1 ILE A 100 40.211 7.266 -3.568 1.00 9.29 C ATOM 0 H ILE A 100 36.685 6.663 -6.450 1.00 6.94 H new ATOM 0 HA ILE A 100 38.902 8.483 -7.214 1.00 6.30 H new ATOM 0 HB ILE A 100 38.758 6.003 -5.469 1.00 5.54 H new ATOM 0 HG12 ILE A 100 40.071 8.745 -5.138 1.00 9.03 H new ATOM 0 HG13 ILE A 100 38.525 8.291 -4.451 1.00 9.03 H new ATOM 0 HG21 ILE A 100 41.235 5.947 -5.526 1.00 4.76 H new ATOM 0 HG22 ILE A 100 40.552 5.644 -7.141 1.00 4.76 H new ATOM 0 HG23 ILE A 100 41.237 7.240 -6.749 1.00 4.76 H new ATOM 0 HD11 ILE A 100 40.341 8.011 -2.783 1.00 9.29 H new ATOM 0 HD12 ILE A 100 39.616 6.436 -3.186 1.00 9.29 H new ATOM 0 HD13 ILE A 100 41.187 6.897 -3.884 1.00 9.29 H new ATOM 1503 N SER A 101 39.076 7.295 -9.385 1.00 6.74 N ATOM 1504 CA SER A 101 39.297 6.596 -10.645 1.00 4.65 C ATOM 1505 C SER A 101 40.748 6.140 -10.760 1.00 3.97 C ATOM 1506 O SER A 101 41.650 6.756 -10.193 1.00 7.02 O ATOM 1507 CB SER A 101 38.957 7.515 -11.818 1.00 3.29 C ATOM 1508 OG SER A 101 38.117 8.568 -11.362 1.00 2.08 O ATOM 0 H SER A 101 39.199 8.306 -9.432 1.00 6.74 H new ATOM 0 HA SER A 101 38.650 5.719 -10.669 1.00 4.65 H new ATOM 0 HB2 SER A 101 39.870 7.924 -12.251 1.00 3.29 H new ATOM 0 HB3 SER A 101 38.457 6.950 -12.604 1.00 3.29 H new ATOM 0 HG SER A 101 37.899 9.160 -12.112 1.00 2.08 H new ATOM 1514 N ALA A 102 40.964 5.055 -11.496 1.00 4.02 N ATOM 1515 CA ALA A 102 42.308 4.521 -11.680 1.00 4.82 C ATOM 1516 C ALA A 102 43.266 5.618 -12.134 1.00 5.07 C ATOM 1517 O ALA A 102 44.476 5.522 -11.931 1.00 6.41 O ATOM 1518 CB ALA A 102 42.286 3.399 -12.719 1.00 4.55 C ATOM 0 H ALA A 102 40.230 4.531 -11.972 1.00 4.02 H new ATOM 0 HA ALA A 102 42.654 4.126 -10.725 1.00 4.82 H new ATOM 0 HB1 ALA A 102 43.294 3.005 -12.851 1.00 4.55 H new ATOM 0 HB2 ALA A 102 41.626 2.601 -12.379 1.00 4.55 H new ATOM 0 HB3 ALA A 102 41.922 3.790 -13.669 1.00 4.55 H new ATOM 1524 N ALA A 103 42.716 6.659 -12.750 1.00 4.46 N ATOM 1525 CA ALA A 103 43.532 7.768 -13.231 1.00 3.90 C ATOM 1526 C ALA A 103 44.203 8.487 -12.064 1.00 3.42 C ATOM 1527 O ALA A 103 45.429 8.559 -11.990 1.00 5.01 O ATOM 1528 CB ALA A 103 42.663 8.757 -14.010 1.00 4.16 C ATOM 0 H ALA A 103 41.716 6.758 -12.927 1.00 4.46 H new ATOM 0 HA ALA A 103 44.304 7.367 -13.888 1.00 3.90 H new ATOM 0 HB1 ALA A 103 43.280 9.582 -14.366 1.00 4.16 H new ATOM 0 HB2 ALA A 103 42.209 8.250 -14.862 1.00 4.16 H new ATOM 0 HB3 ALA A 103 41.880 9.144 -13.359 1.00 4.16 H new ATOM 1534 N GLU A 104 43.390 9.017 -11.156 1.00 2.38 N ATOM 1535 CA GLU A 104 43.918 9.729 -9.998 1.00 2.94 C ATOM 1536 C GLU A 104 44.599 8.761 -9.036 1.00 3.92 C ATOM 1537 O GLU A 104 45.477 9.151 -8.266 1.00 4.76 O ATOM 1538 CB GLU A 104 42.786 10.460 -9.273 1.00 4.89 C ATOM 1539 CG GLU A 104 42.016 9.469 -8.398 1.00 2.54 C ATOM 1540 CD GLU A 104 40.588 9.961 -8.188 1.00 5.28 C ATOM 1541 OE1 GLU A 104 40.340 10.583 -7.168 1.00 6.84 O ATOM 1542 OE2 GLU A 104 39.762 9.708 -9.050 1.00 5.84 O ATOM 0 H GLU A 104 42.372 8.968 -11.198 1.00 2.38 H new ATOM 0 HA GLU A 104 44.654 10.454 -10.347 1.00 2.94 H new ATOM 0 HB2 GLU A 104 43.192 11.264 -8.659 1.00 4.89 H new ATOM 0 HB3 GLU A 104 42.114 10.921 -9.997 1.00 4.89 H new ATOM 0 HG2 GLU A 104 42.005 8.486 -8.870 1.00 2.54 H new ATOM 0 HG3 GLU A 104 42.516 9.356 -7.436 1.00 2.54 H new ATOM 1549 N LEU A 105 44.191 7.497 -9.087 1.00 4.80 N ATOM 1550 CA LEU A 105 44.771 6.482 -8.215 1.00 3.86 C ATOM 1551 C LEU A 105 46.253 6.296 -8.526 1.00 4.38 C ATOM 1552 O LEU A 105 47.090 6.290 -7.624 1.00 3.99 O ATOM 1553 CB LEU A 105 44.038 5.153 -8.400 1.00 3.53 C ATOM 1554 CG LEU A 105 44.491 4.166 -7.323 1.00 4.12 C ATOM 1555 CD1 LEU A 105 43.986 4.632 -5.957 1.00 4.73 C ATOM 1556 CD2 LEU A 105 43.921 2.779 -7.631 1.00 4.99 C ATOM 0 H LEU A 105 43.467 7.153 -9.718 1.00 4.80 H new ATOM 0 HA LEU A 105 44.665 6.813 -7.182 1.00 3.86 H new ATOM 0 HB2 LEU A 105 42.961 5.308 -8.337 1.00 3.53 H new ATOM 0 HB3 LEU A 105 44.244 4.747 -9.390 1.00 3.53 H new ATOM 0 HG LEU A 105 45.580 4.118 -7.310 1.00 4.12 H new ATOM 0 HD11 LEU A 105 44.309 3.928 -5.190 1.00 4.73 H new ATOM 0 HD12 LEU A 105 44.391 5.620 -5.737 1.00 4.73 H new ATOM 0 HD13 LEU A 105 42.897 4.681 -5.969 1.00 4.73 H new ATOM 0 HD21 LEU A 105 44.243 2.075 -6.864 1.00 4.99 H new ATOM 0 HD22 LEU A 105 42.832 2.828 -7.644 1.00 4.99 H new ATOM 0 HD23 LEU A 105 44.281 2.446 -8.604 1.00 4.99 H new ATOM 1568 N ARG A 106 46.569 6.144 -9.808 1.00 3.11 N ATOM 1569 CA ARG A 106 47.953 5.958 -10.227 1.00 5.25 C ATOM 1570 C ARG A 106 48.738 7.257 -10.074 1.00 4.62 C ATOM 1571 O ARG A 106 49.968 7.256 -10.093 1.00 4.29 O ATOM 1572 CB ARG A 106 47.999 5.501 -11.686 1.00 5.02 C ATOM 1573 CG ARG A 106 49.397 4.971 -12.012 1.00 5.93 C ATOM 1574 CD ARG A 106 49.583 4.922 -13.529 1.00 8.89 C ATOM 1575 NE ARG A 106 48.288 4.973 -14.199 1.00 11.71 N ATOM 1576 CZ ARG A 106 48.192 4.854 -15.519 1.00 13.93 C ATOM 1577 NH1 ARG A 106 47.022 4.902 -16.095 1.00 15.02 N ATOM 1578 NH2 ARG A 106 49.268 4.689 -16.239 1.00 15.24 N ATOM 0 H ARG A 106 45.891 6.146 -10.570 1.00 3.11 H new ATOM 0 HA ARG A 106 48.406 5.196 -9.593 1.00 5.25 H new ATOM 0 HB2 ARG A 106 47.255 4.724 -11.858 1.00 5.02 H new ATOM 0 HB3 ARG A 106 47.751 6.332 -12.346 1.00 5.02 H new ATOM 0 HG2 ARG A 106 50.155 5.613 -11.563 1.00 5.93 H new ATOM 0 HG3 ARG A 106 49.529 3.976 -11.586 1.00 5.93 H new ATOM 0 HD2 ARG A 106 50.201 5.759 -13.854 1.00 8.89 H new ATOM 0 HD3 ARG A 106 50.109 4.009 -13.809 1.00 8.89 H new ATOM 0 HE ARG A 106 47.442 5.102 -13.645 1.00 11.71 H new ATOM 0 HH11 ARG A 106 46.181 5.031 -15.532 1.00 15.02 H new ATOM 0 HH12 ARG A 106 46.948 4.811 -17.108 1.00 15.02 H new ATOM 0 HH21 ARG A 106 50.182 4.651 -15.788 1.00 15.24 H new ATOM 0 HH22 ARG A 106 49.195 4.598 -17.252 1.00 15.24 H new ATOM 1592 N HIS A 107 48.017 8.364 -9.924 1.00 5.92 N ATOM 1593 CA HIS A 107 48.657 9.665 -9.770 1.00 8.12 C ATOM 1594 C HIS A 107 49.297 9.789 -8.391 1.00 8.85 C ATOM 1595 O HIS A 107 50.364 10.385 -8.242 1.00 9.30 O ATOM 1596 CB HIS A 107 47.626 10.779 -9.957 1.00 10.37 C ATOM 1597 CG HIS A 107 48.280 12.113 -9.724 1.00 10.94 C ATOM 1598 ND1 HIS A 107 49.238 12.627 -10.584 1.00 14.82 N ATOM 1599 CD2 HIS A 107 48.125 13.050 -8.732 1.00 14.65 C ATOM 1600 CE1 HIS A 107 49.619 13.823 -10.098 1.00 15.69 C ATOM 1601 NE2 HIS A 107 48.972 14.129 -8.971 1.00 15.65 N ATOM 0 H HIS A 107 46.997 8.386 -9.906 1.00 5.92 H new ATOM 0 HA HIS A 107 49.435 9.758 -10.528 1.00 8.12 H new ATOM 0 HB2 HIS A 107 47.209 10.738 -10.963 1.00 10.37 H new ATOM 0 HB3 HIS A 107 46.797 10.642 -9.262 1.00 10.37 H new ATOM 0 HD2 HIS A 107 47.449 12.963 -7.894 1.00 14.65 H new ATOM 0 HE1 HIS A 107 50.358 14.458 -10.563 1.00 15.69 H new ATOM 0 HE2 HIS A 107 49.076 14.972 -8.406 1.00 15.65 H new ATOM 1610 N VAL A 108 48.639 9.222 -7.385 1.00 9.44 N ATOM 1611 CA VAL A 108 49.153 9.276 -6.021 1.00 9.72 C ATOM 1612 C VAL A 108 50.291 8.278 -5.837 1.00 9.70 C ATOM 1613 O VAL A 108 51.427 8.662 -5.556 1.00 10.80 O ATOM 1614 CB VAL A 108 48.033 8.964 -5.028 1.00 9.77 C ATOM 1615 CG1 VAL A 108 48.639 8.521 -3.696 1.00 8.84 C ATOM 1616 CG2 VAL A 108 47.182 10.217 -4.809 1.00 12.28 C ATOM 0 H VAL A 108 47.755 8.723 -7.487 1.00 9.44 H new ATOM 0 HA VAL A 108 49.533 10.281 -5.836 1.00 9.72 H new ATOM 0 HB VAL A 108 47.408 8.164 -5.426 1.00 9.77 H new ATOM 0 HG11 VAL A 108 47.840 8.299 -2.989 1.00 8.84 H new ATOM 0 HG12 VAL A 108 49.245 7.628 -3.851 1.00 8.84 H new ATOM 0 HG13 VAL A 108 49.265 9.320 -3.297 1.00 8.84 H new ATOM 0 HG21 VAL A 108 46.383 9.995 -4.101 1.00 12.28 H new ATOM 0 HG22 VAL A 108 47.807 11.017 -4.412 1.00 12.28 H new ATOM 0 HG23 VAL A 108 46.748 10.533 -5.758 1.00 12.28 H new ATOM 1626 N MET A 109 49.979 6.996 -5.996 0.50 9.38 N ATOM 1627 CA MET A 109 50.983 5.949 -5.843 0.50 9.31 C ATOM 1628 C MET A 109 52.204 6.243 -6.709 0.50 9.50 C ATOM 1629 O MET A 109 53.310 5.794 -6.410 0.50 9.53 O ATOM 1630 CB MET A 109 50.389 4.596 -6.239 0.50 8.72 C ATOM 1631 CG MET A 109 49.014 4.431 -5.588 0.50 8.81 C ATOM 1632 SD MET A 109 49.186 4.496 -3.788 0.50 6.87 S ATOM 1633 CE MET A 109 48.104 3.097 -3.406 0.50 6.63 C ATOM 0 H MET A 109 49.045 6.658 -6.229 0.50 9.38 H new ATOM 0 HA MET A 109 51.293 5.920 -4.798 0.50 9.31 H new ATOM 0 HB2 MET A 109 50.300 4.530 -7.323 0.50 8.72 H new ATOM 0 HB3 MET A 109 51.051 3.790 -5.924 0.50 8.72 H new ATOM 0 HG2 MET A 109 48.342 5.219 -5.928 0.50 8.81 H new ATOM 0 HG3 MET A 109 48.570 3.482 -5.887 0.50 8.81 H new ATOM 0 HE1 MET A 109 48.063 2.953 -2.326 0.50 6.63 H new ATOM 0 HE2 MET A 109 47.102 3.298 -3.784 0.50 6.63 H new ATOM 0 HE3 MET A 109 48.495 2.195 -3.877 0.50 6.63 H new ATOM 1643 N THR A 110 51.995 6.995 -7.785 1.00 10.17 N ATOM 1644 CA THR A 110 53.087 7.337 -8.689 1.00 11.15 C ATOM 1645 C THR A 110 54.006 8.381 -8.062 1.00 11.87 C ATOM 1646 O THR A 110 55.224 8.203 -8.020 1.00 11.30 O ATOM 1647 CB THR A 110 52.524 7.877 -10.006 1.00 11.33 C ATOM 1648 OG1 THR A 110 52.029 6.798 -10.785 1.00 9.45 O ATOM 1649 CG2 THR A 110 53.629 8.601 -10.776 1.00 11.67 C ATOM 0 H THR A 110 51.087 7.376 -8.051 1.00 10.17 H new ATOM 0 HA THR A 110 53.666 6.434 -8.881 1.00 11.15 H new ATOM 0 HB THR A 110 51.714 8.575 -9.796 1.00 11.33 H new ATOM 0 HG1 THR A 110 51.194 6.467 -10.392 1.00 9.45 H new ATOM 0 HG21 THR A 110 53.227 8.985 -11.714 1.00 11.67 H new ATOM 0 HG22 THR A 110 54.007 9.429 -10.177 1.00 11.67 H new ATOM 0 HG23 THR A 110 54.441 7.905 -10.987 1.00 11.67 H new ATOM 1657 N ASN A 111 53.419 9.471 -7.579 1.00 13.42 N ATOM 1658 CA ASN A 111 54.200 10.537 -6.961 1.00 14.75 C ATOM 1659 C ASN A 111 54.589 10.166 -5.534 1.00 15.38 C ATOM 1660 O ASN A 111 55.557 10.695 -4.987 1.00 14.61 O ATOM 1661 CB ASN A 111 53.391 11.835 -6.949 1.00 15.43 C ATOM 1662 CG ASN A 111 52.197 11.697 -6.011 1.00 16.39 C ATOM 1663 OD1 ASN A 111 52.334 11.180 -4.903 1.00 19.90 O ATOM 1664 ND2 ASN A 111 51.026 12.131 -6.392 1.00 21.65 N ATOM 0 H ASN A 111 52.413 9.639 -7.603 1.00 13.42 H new ATOM 0 HA ASN A 111 55.109 10.678 -7.545 1.00 14.75 H new ATOM 0 HB2 ASN A 111 54.022 12.664 -6.628 1.00 15.43 H new ATOM 0 HB3 ASN A 111 53.047 12.068 -7.957 1.00 15.43 H new ATOM 0 HD21 ASN A 111 50.222 12.042 -5.771 1.00 21.65 H new ATOM 0 HD22 ASN A 111 50.915 12.559 -7.311 1.00 21.65 H new ATOM 1671 N LEU A 112 53.830 9.255 -4.935 1.00 15.51 N ATOM 1672 CA LEU A 112 54.107 8.824 -3.569 1.00 17.09 C ATOM 1673 C LEU A 112 55.576 8.443 -3.415 1.00 17.64 C ATOM 1674 O LEU A 112 56.082 8.324 -2.299 1.00 19.20 O ATOM 1675 CB LEU A 112 53.226 7.626 -3.209 1.00 17.55 C ATOM 1676 CG LEU A 112 52.695 7.789 -1.784 1.00 18.70 C ATOM 1677 CD1 LEU A 112 51.836 9.052 -1.697 1.00 19.41 C ATOM 1678 CD2 LEU A 112 51.844 6.571 -1.417 1.00 19.55 C ATOM 0 H LEU A 112 53.025 8.804 -5.369 1.00 15.51 H new ATOM 0 HA LEU A 112 53.885 9.652 -2.895 1.00 17.09 H new ATOM 0 HB2 LEU A 112 52.395 7.549 -3.911 1.00 17.55 H new ATOM 0 HB3 LEU A 112 53.799 6.703 -3.291 1.00 17.55 H new ATOM 0 HG LEU A 112 53.534 7.873 -1.093 1.00 18.70 H new ATOM 0 HD11 LEU A 112 51.459 9.166 -0.681 1.00 19.41 H new ATOM 0 HD12 LEU A 112 52.439 9.921 -1.960 1.00 19.41 H new ATOM 0 HD13 LEU A 112 50.997 8.970 -2.388 1.00 19.41 H new ATOM 0 HD21 LEU A 112 51.464 6.685 -0.402 1.00 19.55 H new ATOM 0 HD22 LEU A 112 51.007 6.490 -2.110 1.00 19.55 H new ATOM 0 HD23 LEU A 112 52.454 5.670 -1.477 1.00 19.55 H new ATOM 1690 N GLY A 113 56.256 8.253 -4.541 1.00 18.31 N ATOM 1691 CA GLY A 113 57.667 7.886 -4.517 1.00 18.73 C ATOM 1692 C GLY A 113 57.877 6.493 -5.099 1.00 19.38 C ATOM 1693 O GLY A 113 59.010 6.030 -5.234 1.00 19.66 O ATOM 0 H GLY A 113 55.856 8.346 -5.475 1.00 18.31 H new ATOM 0 HA2 GLY A 113 58.246 8.613 -5.086 1.00 18.73 H new ATOM 0 HA3 GLY A 113 58.037 7.916 -3.492 1.00 18.73 H new ATOM 1697 N GLU A 114 56.779 5.830 -5.446 1.00 20.03 N ATOM 1698 CA GLU A 114 56.855 4.490 -6.016 1.00 20.93 C ATOM 1699 C GLU A 114 56.144 4.442 -7.364 1.00 21.67 C ATOM 1700 O GLU A 114 54.947 4.714 -7.455 1.00 21.82 O ATOM 1701 CB GLU A 114 56.214 3.479 -5.062 1.00 21.58 C ATOM 1702 CG GLU A 114 57.074 2.215 -5.004 1.00 22.38 C ATOM 1703 CD GLU A 114 57.320 1.687 -6.413 1.00 22.95 C ATOM 1704 OE1 GLU A 114 56.372 1.640 -7.181 1.00 21.15 O ATOM 1705 OE2 GLU A 114 58.451 1.336 -6.704 1.00 25.55 O ATOM 0 H GLU A 114 55.832 6.195 -5.344 1.00 20.03 H new ATOM 0 HA GLU A 114 57.905 4.236 -6.162 1.00 20.93 H new ATOM 0 HB2 GLU A 114 56.118 3.913 -4.066 1.00 21.58 H new ATOM 0 HB3 GLU A 114 55.208 3.232 -5.400 1.00 21.58 H new ATOM 0 HG2 GLU A 114 58.025 2.434 -4.518 1.00 22.38 H new ATOM 0 HG3 GLU A 114 56.576 1.454 -4.403 1.00 22.38 H new ATOM 1712 N LYS A 115 56.887 4.096 -8.410 1.00 21.94 N ATOM 1713 CA LYS A 115 56.314 4.019 -9.749 1.00 21.97 C ATOM 1714 C LYS A 115 55.533 2.720 -9.923 1.00 21.51 C ATOM 1715 O LYS A 115 56.098 1.629 -9.845 1.00 21.04 O ATOM 1716 CB LYS A 115 57.425 4.093 -10.798 1.00 22.09 C ATOM 1717 CG LYS A 115 58.488 5.097 -10.347 1.00 22.07 C ATOM 1718 CD LYS A 115 57.901 6.510 -10.379 1.00 22.17 C ATOM 1719 CE LYS A 115 59.002 7.512 -10.730 1.00 22.19 C ATOM 1720 NZ LYS A 115 59.520 7.223 -12.097 1.00 23.26 N ATOM 0 H LYS A 115 57.879 3.866 -8.358 1.00 21.94 H new ATOM 0 HA LYS A 115 55.633 4.860 -9.882 1.00 21.97 H new ATOM 0 HB2 LYS A 115 57.874 3.110 -10.937 1.00 22.09 H new ATOM 0 HB3 LYS A 115 57.011 4.393 -11.761 1.00 22.09 H new ATOM 0 HG2 LYS A 115 58.828 4.855 -9.340 1.00 22.07 H new ATOM 0 HG3 LYS A 115 59.359 5.039 -11.000 1.00 22.07 H new ATOM 0 HD2 LYS A 115 57.097 6.565 -11.113 1.00 22.17 H new ATOM 0 HD3 LYS A 115 57.466 6.756 -9.411 1.00 22.17 H new ATOM 0 HE2 LYS A 115 58.611 8.528 -10.685 1.00 22.19 H new ATOM 0 HE3 LYS A 115 59.811 7.449 -10.002 1.00 22.19 H new ATOM 0 HZ1 LYS A 115 59.786 8.114 -12.563 1.00 23.26 H new ATOM 0 HZ2 LYS A 115 60.354 6.606 -12.029 1.00 23.26 H new ATOM 0 HZ3 LYS A 115 58.782 6.748 -12.655 1.00 23.26 H new ATOM 1734 N LEU A 116 54.231 2.846 -10.159 1.00 20.82 N ATOM 1735 CA LEU A 116 53.381 1.676 -10.342 1.00 20.59 C ATOM 1736 C LEU A 116 53.417 1.210 -11.794 1.00 20.06 C ATOM 1737 O LEU A 116 53.680 1.999 -12.703 1.00 20.89 O ATOM 1738 CB LEU A 116 51.941 2.010 -9.947 1.00 21.31 C ATOM 1739 CG LEU A 116 51.834 2.094 -8.424 1.00 21.00 C ATOM 1740 CD1 LEU A 116 51.801 0.683 -7.834 1.00 23.07 C ATOM 1741 CD2 LEU A 116 53.045 2.849 -7.869 1.00 20.55 C ATOM 0 H LEU A 116 53.745 3.740 -10.228 1.00 20.82 H new ATOM 0 HA LEU A 116 53.756 0.874 -9.705 1.00 20.59 H new ATOM 0 HB2 LEU A 116 51.640 2.957 -10.396 1.00 21.31 H new ATOM 0 HB3 LEU A 116 51.262 1.247 -10.328 1.00 21.31 H new ATOM 0 HG LEU A 116 50.919 2.622 -8.154 1.00 21.00 H new ATOM 0 HD11 LEU A 116 51.725 0.744 -6.748 1.00 23.07 H new ATOM 0 HD12 LEU A 116 50.940 0.144 -8.228 1.00 23.07 H new ATOM 0 HD13 LEU A 116 52.715 0.154 -8.104 1.00 23.07 H new ATOM 0 HD21 LEU A 116 52.970 2.910 -6.783 1.00 20.55 H new ATOM 0 HD22 LEU A 116 53.959 2.321 -8.141 1.00 20.55 H new ATOM 0 HD23 LEU A 116 53.070 3.855 -8.288 1.00 20.55 H new ATOM 1753 N THR A 117 53.152 -0.075 -12.005 1.00 19.20 N ATOM 1754 CA THR A 117 53.157 -0.634 -13.352 1.00 18.69 C ATOM 1755 C THR A 117 51.760 -0.575 -13.962 1.00 18.35 C ATOM 1756 O THR A 117 50.758 -0.665 -13.253 1.00 17.96 O ATOM 1757 CB THR A 117 53.638 -2.086 -13.313 1.00 18.94 C ATOM 1758 OG1 THR A 117 54.383 -2.304 -12.123 1.00 18.27 O ATOM 1759 CG2 THR A 117 54.522 -2.366 -14.529 1.00 19.41 C ATOM 0 H THR A 117 52.933 -0.744 -11.267 1.00 19.20 H new ATOM 0 HA THR A 117 53.835 -0.043 -13.968 1.00 18.69 H new ATOM 0 HB THR A 117 52.777 -2.755 -13.331 1.00 18.94 H new ATOM 0 HG1 THR A 117 54.691 -3.234 -12.095 1.00 18.27 H new ATOM 0 HG21 THR A 117 54.864 -3.401 -14.500 1.00 19.41 H new ATOM 0 HG22 THR A 117 53.949 -2.199 -15.441 1.00 19.41 H new ATOM 0 HG23 THR A 117 55.384 -1.699 -14.514 1.00 19.41 H new ATOM 1767 N ASP A 118 51.702 -0.425 -15.281 1.00 17.78 N ATOM 1768 CA ASP A 118 50.422 -0.355 -15.977 1.00 17.28 C ATOM 1769 C ASP A 118 49.525 -1.518 -15.564 1.00 16.94 C ATOM 1770 O ASP A 118 48.315 -1.355 -15.405 1.00 16.90 O ATOM 1771 CB ASP A 118 50.646 -0.393 -17.489 1.00 17.45 C ATOM 1772 CG ASP A 118 50.799 1.025 -18.029 1.00 17.24 C ATOM 1773 OD1 ASP A 118 51.519 1.797 -17.417 1.00 16.95 O ATOM 1774 OD2 ASP A 118 50.193 1.319 -19.047 1.00 18.08 O ATOM 0 H ASP A 118 52.520 -0.350 -15.886 1.00 17.78 H new ATOM 0 HA ASP A 118 49.933 0.581 -15.707 1.00 17.28 H new ATOM 0 HB2 ASP A 118 51.538 -0.977 -17.718 1.00 17.45 H new ATOM 0 HB3 ASP A 118 49.807 -0.888 -17.977 1.00 17.45 H new ATOM 1779 N GLU A 119 50.127 -2.691 -15.393 1.00 16.47 N ATOM 1780 CA GLU A 119 49.372 -3.875 -14.999 1.00 16.08 C ATOM 1781 C GLU A 119 49.018 -3.815 -13.517 1.00 15.00 C ATOM 1782 O GLU A 119 47.888 -4.110 -13.126 1.00 14.51 O ATOM 1783 CB GLU A 119 50.193 -5.135 -15.279 1.00 16.34 C ATOM 1784 CG GLU A 119 50.360 -5.310 -16.790 1.00 17.65 C ATOM 1785 CD GLU A 119 51.501 -4.433 -17.294 1.00 18.58 C ATOM 1786 OE1 GLU A 119 51.314 -3.229 -17.354 1.00 18.43 O ATOM 1787 OE2 GLU A 119 52.545 -4.978 -17.612 1.00 20.16 O ATOM 0 H GLU A 119 51.127 -2.847 -15.520 1.00 16.47 H new ATOM 0 HA GLU A 119 48.450 -3.906 -15.580 1.00 16.08 H new ATOM 0 HB2 GLU A 119 51.170 -5.059 -14.801 1.00 16.34 H new ATOM 0 HB3 GLU A 119 49.697 -6.007 -14.854 1.00 16.34 H new ATOM 0 HG2 GLU A 119 50.564 -6.355 -17.023 1.00 17.65 H new ATOM 0 HG3 GLU A 119 49.434 -5.044 -17.300 1.00 17.65 H new ATOM 1794 N GLU A 120 49.990 -3.432 -12.696 1.00 14.19 N ATOM 1795 CA GLU A 120 49.769 -3.337 -11.257 1.00 13.46 C ATOM 1796 C GLU A 120 48.450 -2.630 -10.964 1.00 13.34 C ATOM 1797 O GLU A 120 47.583 -3.172 -10.279 1.00 13.03 O ATOM 1798 CB GLU A 120 50.919 -2.570 -10.602 1.00 13.02 C ATOM 1799 CG GLU A 120 51.960 -3.560 -10.076 1.00 11.76 C ATOM 1800 CD GLU A 120 51.590 -4.006 -8.666 1.00 11.68 C ATOM 1801 OE1 GLU A 120 51.119 -5.122 -8.522 1.00 7.04 O ATOM 1802 OE2 GLU A 120 51.783 -3.224 -7.749 1.00 10.77 O ATOM 0 H GLU A 120 50.932 -3.184 -12.999 1.00 14.19 H new ATOM 0 HA GLU A 120 49.726 -4.346 -10.847 1.00 13.46 H new ATOM 0 HB2 GLU A 120 51.377 -1.894 -11.324 1.00 13.02 H new ATOM 0 HB3 GLU A 120 50.541 -1.955 -9.785 1.00 13.02 H new ATOM 0 HG2 GLU A 120 52.017 -4.425 -10.737 1.00 11.76 H new ATOM 0 HG3 GLU A 120 52.946 -3.096 -10.072 1.00 11.76 H new ATOM 1809 N VAL A 121 48.306 -1.416 -11.486 1.00 13.10 N ATOM 1810 CA VAL A 121 47.087 -0.644 -11.273 1.00 12.97 C ATOM 1811 C VAL A 121 45.898 -1.322 -11.945 1.00 12.84 C ATOM 1812 O VAL A 121 44.942 -1.722 -11.281 1.00 13.10 O ATOM 1813 CB VAL A 121 47.258 0.767 -11.837 1.00 13.08 C ATOM 1814 CG1 VAL A 121 46.092 1.646 -11.381 1.00 12.21 C ATOM 1815 CG2 VAL A 121 48.573 1.363 -11.329 1.00 14.97 C ATOM 0 H VAL A 121 49.012 -0.949 -12.055 1.00 13.10 H new ATOM 0 HA VAL A 121 46.899 -0.587 -10.201 1.00 12.97 H new ATOM 0 HB VAL A 121 47.274 0.722 -12.926 1.00 13.08 H new ATOM 0 HG11 VAL A 121 46.215 2.651 -11.784 1.00 12.21 H new ATOM 0 HG12 VAL A 121 45.155 1.223 -11.742 1.00 12.21 H new ATOM 0 HG13 VAL A 121 46.074 1.691 -10.292 1.00 12.21 H new ATOM 0 HG21 VAL A 121 48.696 2.369 -11.731 1.00 14.97 H new ATOM 0 HG22 VAL A 121 48.556 1.407 -10.240 1.00 14.97 H new ATOM 0 HG23 VAL A 121 49.405 0.739 -11.654 1.00 14.97 H new ATOM 1825 N ASP A 122 45.965 -1.449 -13.266 1.00 13.33 N ATOM 1826 CA ASP A 122 44.888 -2.082 -14.018 1.00 13.39 C ATOM 1827 C ASP A 122 44.439 -3.368 -13.333 1.00 12.24 C ATOM 1828 O ASP A 122 43.317 -3.832 -13.535 1.00 11.31 O ATOM 1829 CB ASP A 122 45.358 -2.396 -15.440 1.00 14.42 C ATOM 1830 CG ASP A 122 45.436 -1.113 -16.259 1.00 16.19 C ATOM 1831 OD1 ASP A 122 46.438 -0.425 -16.152 1.00 20.12 O ATOM 1832 OD2 ASP A 122 44.493 -0.836 -16.982 1.00 19.51 O ATOM 0 H ASP A 122 46.747 -1.125 -13.834 1.00 13.33 H new ATOM 0 HA ASP A 122 44.045 -1.392 -14.058 1.00 13.39 H new ATOM 0 HB2 ASP A 122 46.335 -2.878 -15.411 1.00 14.42 H new ATOM 0 HB3 ASP A 122 44.670 -3.097 -15.912 1.00 14.42 H new ATOM 1837 N GLU A 123 45.323 -3.940 -12.521 1.00 11.13 N ATOM 1838 CA GLU A 123 45.006 -5.173 -11.810 1.00 10.29 C ATOM 1839 C GLU A 123 44.077 -4.890 -10.634 1.00 8.90 C ATOM 1840 O GLU A 123 43.005 -5.485 -10.520 1.00 7.96 O ATOM 1841 CB GLU A 123 46.292 -5.827 -11.301 1.00 10.26 C ATOM 1842 CG GLU A 123 45.986 -7.244 -10.813 1.00 12.28 C ATOM 1843 CD GLU A 123 45.593 -8.129 -11.991 1.00 13.69 C ATOM 1844 OE1 GLU A 123 46.375 -8.222 -12.923 1.00 14.38 O ATOM 1845 OE2 GLU A 123 44.516 -8.700 -11.944 1.00 15.72 O ATOM 0 H GLU A 123 46.257 -3.573 -12.340 1.00 11.13 H new ATOM 0 HA GLU A 123 44.503 -5.850 -12.501 1.00 10.29 H new ATOM 0 HB2 GLU A 123 47.036 -5.858 -12.097 1.00 10.26 H new ATOM 0 HB3 GLU A 123 46.717 -5.236 -10.490 1.00 10.26 H new ATOM 0 HG2 GLU A 123 46.859 -7.660 -10.310 1.00 12.28 H new ATOM 0 HG3 GLU A 123 45.178 -7.219 -10.081 1.00 12.28 H new ATOM 1852 N MET A 124 44.495 -3.979 -9.762 0.50 8.41 N ATOM 1853 CA MET A 124 43.692 -3.625 -8.597 0.50 7.66 C ATOM 1854 C MET A 124 42.298 -3.177 -9.024 0.50 7.37 C ATOM 1855 O MET A 124 41.293 -3.724 -8.569 0.50 7.04 O ATOM 1856 CB MET A 124 44.374 -2.502 -7.814 0.50 7.67 C ATOM 1857 CG MET A 124 43.980 -2.595 -6.339 0.50 7.34 C ATOM 1858 SD MET A 124 44.701 -4.089 -5.616 0.50 9.25 S ATOM 1859 CE MET A 124 43.145 -4.912 -5.196 0.50 9.75 C ATOM 0 H MET A 124 45.379 -3.475 -9.838 0.50 8.41 H new ATOM 0 HA MET A 124 43.600 -4.506 -7.961 0.50 7.66 H new ATOM 0 HB2 MET A 124 45.456 -2.578 -7.918 0.50 7.67 H new ATOM 0 HB3 MET A 124 44.082 -1.533 -8.219 0.50 7.67 H new ATOM 0 HG2 MET A 124 44.329 -1.713 -5.802 0.50 7.34 H new ATOM 0 HG3 MET A 124 42.895 -2.618 -6.242 0.50 7.34 H new ATOM 0 HE1 MET A 124 43.307 -5.988 -5.136 0.50 9.75 H new ATOM 0 HE2 MET A 124 42.787 -4.545 -4.234 0.50 9.75 H new ATOM 0 HE3 MET A 124 42.402 -4.699 -5.964 0.50 9.75 H new ATOM 1869 N ILE A 125 42.245 -2.180 -9.900 1.00 7.50 N ATOM 1870 CA ILE A 125 40.968 -1.666 -10.382 1.00 8.03 C ATOM 1871 C ILE A 125 40.027 -2.814 -10.733 1.00 8.46 C ATOM 1872 O ILE A 125 38.912 -2.895 -10.218 1.00 9.97 O ATOM 1873 CB ILE A 125 41.189 -0.791 -11.617 1.00 9.03 C ATOM 1874 CG1 ILE A 125 42.321 0.203 -11.342 1.00 8.72 C ATOM 1875 CG2 ILE A 125 39.905 -0.024 -11.937 1.00 8.18 C ATOM 1876 CD1 ILE A 125 41.942 1.098 -10.160 1.00 11.99 C ATOM 0 H ILE A 125 43.065 -1.714 -10.289 1.00 7.50 H new ATOM 0 HA ILE A 125 40.516 -1.069 -9.590 1.00 8.03 H new ATOM 0 HB ILE A 125 41.456 -1.422 -12.465 1.00 9.03 H new ATOM 0 HG12 ILE A 125 43.244 -0.333 -11.124 1.00 8.72 H new ATOM 0 HG13 ILE A 125 42.507 0.812 -12.227 1.00 8.72 H new ATOM 0 HG21 ILE A 125 40.063 0.599 -12.817 1.00 8.18 H new ATOM 0 HG22 ILE A 125 39.098 -0.730 -12.133 1.00 8.18 H new ATOM 0 HG23 ILE A 125 39.637 0.607 -11.089 1.00 8.18 H new ATOM 0 HD11 ILE A 125 42.749 1.805 -9.966 1.00 11.99 H new ATOM 0 HD12 ILE A 125 41.029 1.645 -10.396 1.00 11.99 H new ATOM 0 HD13 ILE A 125 41.778 0.482 -9.276 1.00 11.99 H new ATOM 1888 N ARG A 126 40.484 -3.699 -11.612 1.00 10.35 N ATOM 1889 CA ARG A 126 39.675 -4.840 -12.025 1.00 12.29 C ATOM 1890 C ARG A 126 38.994 -5.479 -10.819 1.00 12.05 C ATOM 1891 O ARG A 126 37.864 -5.957 -10.913 1.00 12.18 O ATOM 1892 CB ARG A 126 40.553 -5.878 -12.726 1.00 13.33 C ATOM 1893 CG ARG A 126 39.667 -6.944 -13.373 1.00 16.87 C ATOM 1894 CD ARG A 126 40.508 -8.181 -13.694 1.00 19.79 C ATOM 1895 NE ARG A 126 40.181 -8.683 -15.023 1.00 23.64 N ATOM 1896 CZ ARG A 126 39.277 -9.642 -15.192 1.00 25.37 C ATOM 1897 NH1 ARG A 126 39.001 -10.075 -16.392 1.00 25.82 N ATOM 1898 NH2 ARG A 126 38.664 -10.151 -14.159 1.00 27.23 N ATOM 0 H ARG A 126 41.404 -3.649 -12.050 1.00 10.35 H new ATOM 0 HA ARG A 126 38.909 -4.486 -12.716 1.00 12.29 H new ATOM 0 HB2 ARG A 126 41.171 -5.395 -13.483 1.00 13.33 H new ATOM 0 HB3 ARG A 126 41.231 -6.340 -12.009 1.00 13.33 H new ATOM 0 HG2 ARG A 126 38.851 -7.210 -12.701 1.00 16.87 H new ATOM 0 HG3 ARG A 126 39.215 -6.552 -14.284 1.00 16.87 H new ATOM 0 HD2 ARG A 126 41.568 -7.932 -13.642 1.00 19.79 H new ATOM 0 HD3 ARG A 126 40.326 -8.956 -12.950 1.00 19.79 H new ATOM 0 HE ARG A 126 40.654 -8.291 -15.837 1.00 23.64 H new ATOM 0 HH11 ARG A 126 39.479 -9.677 -17.200 1.00 25.82 H new ATOM 0 HH12 ARG A 126 38.307 -10.811 -16.521 1.00 25.82 H new ATOM 0 HH21 ARG A 126 38.879 -9.813 -13.221 1.00 27.23 H new ATOM 0 HH22 ARG A 126 37.970 -10.887 -14.289 1.00 27.23 H new ATOM 1912 N GLU A 127 39.689 -5.482 -9.686 1.00 11.23 N ATOM 1913 CA GLU A 127 39.141 -6.065 -8.467 1.00 11.00 C ATOM 1914 C GLU A 127 38.072 -5.155 -7.871 1.00 10.05 C ATOM 1915 O GLU A 127 36.942 -5.581 -7.633 1.00 10.87 O ATOM 1916 CB GLU A 127 40.258 -6.281 -7.444 1.00 10.54 C ATOM 1917 CG GLU A 127 39.744 -7.165 -6.305 1.00 12.15 C ATOM 1918 CD GLU A 127 39.104 -6.302 -5.224 1.00 14.58 C ATOM 1919 OE1 GLU A 127 39.838 -5.635 -4.514 1.00 15.50 O ATOM 1920 OE2 GLU A 127 37.888 -6.320 -5.121 1.00 12.21 O ATOM 0 H GLU A 127 40.626 -5.090 -9.587 1.00 11.23 H new ATOM 0 HA GLU A 127 38.687 -7.024 -8.717 1.00 11.00 H new ATOM 0 HB2 GLU A 127 41.118 -6.750 -7.922 1.00 10.54 H new ATOM 0 HB3 GLU A 127 40.595 -5.322 -7.050 1.00 10.54 H new ATOM 0 HG2 GLU A 127 39.017 -7.881 -6.689 1.00 12.15 H new ATOM 0 HG3 GLU A 127 40.566 -7.742 -5.882 1.00 12.15 H new ATOM 1927 N ALA A 128 38.436 -3.899 -7.634 1.00 9.88 N ATOM 1928 CA ALA A 128 37.499 -2.936 -7.066 1.00 9.79 C ATOM 1929 C ALA A 128 36.360 -2.658 -8.041 1.00 9.77 C ATOM 1930 O ALA A 128 35.289 -2.201 -7.645 1.00 9.01 O ATOM 1931 CB ALA A 128 38.226 -1.630 -6.740 1.00 10.50 C ATOM 0 H ALA A 128 39.366 -3.526 -7.825 1.00 9.88 H new ATOM 0 HA ALA A 128 37.083 -3.358 -6.151 1.00 9.79 H new ATOM 0 HB1 ALA A 128 37.519 -0.916 -6.316 1.00 10.50 H new ATOM 0 HB2 ALA A 128 39.020 -1.826 -6.019 1.00 10.50 H new ATOM 0 HB3 ALA A 128 38.657 -1.216 -7.652 1.00 10.50 H new ATOM 1937 N ASP A 129 36.600 -2.938 -9.318 1.00 9.64 N ATOM 1938 CA ASP A 129 35.586 -2.714 -10.342 1.00 9.00 C ATOM 1939 C ASP A 129 34.345 -3.555 -10.059 1.00 8.76 C ATOM 1940 O ASP A 129 34.381 -4.782 -10.154 1.00 10.86 O ATOM 1941 CB ASP A 129 36.147 -3.074 -11.720 1.00 7.85 C ATOM 1942 CG ASP A 129 36.357 -1.808 -12.545 1.00 9.69 C ATOM 1943 OD1 ASP A 129 35.571 -0.888 -12.392 1.00 9.05 O ATOM 1944 OD2 ASP A 129 37.301 -1.779 -13.318 1.00 6.85 O ATOM 0 H ASP A 129 37.480 -3.317 -9.667 1.00 9.64 H new ATOM 0 HA ASP A 129 35.308 -1.660 -10.328 1.00 9.00 H new ATOM 0 HB2 ASP A 129 37.092 -3.607 -11.609 1.00 7.85 H new ATOM 0 HB3 ASP A 129 35.461 -3.745 -12.237 1.00 7.85 H new ATOM 1949 N ILE A 130 33.249 -2.888 -9.715 1.00 7.88 N ATOM 1950 CA ILE A 130 32.002 -3.585 -9.425 1.00 5.73 C ATOM 1951 C ILE A 130 31.291 -3.972 -10.718 1.00 5.05 C ATOM 1952 O ILE A 130 30.895 -5.123 -10.900 1.00 5.02 O ATOM 1953 CB ILE A 130 31.087 -2.694 -8.581 1.00 6.80 C ATOM 1954 CG1 ILE A 130 31.778 -2.376 -7.252 1.00 8.06 C ATOM 1955 CG2 ILE A 130 29.768 -3.423 -8.311 1.00 4.19 C ATOM 1956 CD1 ILE A 130 30.724 -2.073 -6.184 1.00 12.26 C ATOM 0 H ILE A 130 33.198 -1.873 -9.631 1.00 7.88 H new ATOM 0 HA ILE A 130 32.236 -4.492 -8.868 1.00 5.73 H new ATOM 0 HB ILE A 130 30.883 -1.768 -9.118 1.00 6.80 H new ATOM 0 HG12 ILE A 130 32.394 -3.219 -6.940 1.00 8.06 H new ATOM 0 HG13 ILE A 130 32.444 -1.522 -7.372 1.00 8.06 H new ATOM 0 HG21 ILE A 130 29.117 -2.788 -7.710 1.00 4.19 H new ATOM 0 HG22 ILE A 130 29.278 -3.652 -9.258 1.00 4.19 H new ATOM 0 HG23 ILE A 130 29.968 -4.350 -7.773 1.00 4.19 H new ATOM 0 HD11 ILE A 130 31.218 -1.847 -5.239 1.00 12.26 H new ATOM 0 HD12 ILE A 130 30.127 -1.216 -6.495 1.00 12.26 H new ATOM 0 HD13 ILE A 130 30.076 -2.940 -6.056 1.00 12.26 H new ATOM 1968 N ASP A 131 31.134 -3.002 -11.613 1.00 3.37 N ATOM 1969 CA ASP A 131 30.470 -3.251 -12.888 1.00 3.41 C ATOM 1970 C ASP A 131 31.469 -3.179 -14.038 1.00 3.42 C ATOM 1971 O ASP A 131 31.083 -3.156 -15.207 1.00 5.27 O ATOM 1972 CB ASP A 131 29.361 -2.221 -13.108 1.00 3.12 C ATOM 1973 CG ASP A 131 29.087 -1.465 -11.813 1.00 5.63 C ATOM 1974 OD1 ASP A 131 27.981 -1.575 -11.308 1.00 7.79 O ATOM 1975 OD2 ASP A 131 29.986 -0.786 -11.344 1.00 5.83 O ATOM 0 H ASP A 131 31.455 -2.043 -11.481 1.00 3.37 H new ATOM 0 HA ASP A 131 30.038 -4.251 -12.861 1.00 3.41 H new ATOM 0 HB2 ASP A 131 29.653 -1.522 -13.892 1.00 3.12 H new ATOM 0 HB3 ASP A 131 28.453 -2.719 -13.447 1.00 3.12 H new ATOM 1980 N GLY A 132 32.754 -3.141 -13.701 1.00 3.22 N ATOM 1981 CA GLY A 132 33.798 -3.070 -14.718 1.00 3.08 C ATOM 1982 C GLY A 132 33.717 -1.757 -15.489 1.00 3.63 C ATOM 1983 O GLY A 132 33.643 -1.751 -16.718 1.00 3.93 O ATOM 0 H GLY A 132 33.096 -3.158 -12.740 1.00 3.22 H new ATOM 0 HA2 GLY A 132 34.777 -3.160 -14.247 1.00 3.08 H new ATOM 0 HA3 GLY A 132 33.697 -3.908 -15.407 1.00 3.08 H new ATOM 1987 N ASP A 133 33.732 -0.646 -14.760 1.00 3.43 N ATOM 1988 CA ASP A 133 33.659 0.669 -15.387 1.00 4.62 C ATOM 1989 C ASP A 133 35.042 1.308 -15.458 1.00 4.97 C ATOM 1990 O ASP A 133 35.330 2.085 -16.368 1.00 5.60 O ATOM 1991 CB ASP A 133 32.717 1.575 -14.591 1.00 4.81 C ATOM 1992 CG ASP A 133 31.547 0.762 -14.048 1.00 6.31 C ATOM 1993 OD1 ASP A 133 31.447 0.637 -12.839 1.00 9.56 O ATOM 1994 OD2 ASP A 133 30.767 0.275 -14.850 1.00 5.38 O ATOM 0 H ASP A 133 33.794 -0.629 -13.742 1.00 3.43 H new ATOM 0 HA ASP A 133 33.276 0.546 -16.400 1.00 4.62 H new ATOM 0 HB2 ASP A 133 33.258 2.043 -13.769 1.00 4.81 H new ATOM 0 HB3 ASP A 133 32.348 2.379 -15.228 1.00 4.81 H new ATOM 1999 N GLY A 134 35.894 0.976 -14.493 1.00 5.35 N ATOM 2000 CA GLY A 134 37.244 1.526 -14.458 1.00 5.78 C ATOM 2001 C GLY A 134 37.371 2.594 -13.377 1.00 6.89 C ATOM 2002 O GLY A 134 38.410 3.241 -13.249 1.00 7.32 O ATOM 0 H GLY A 134 35.676 0.334 -13.731 1.00 5.35 H new ATOM 0 HA2 GLY A 134 37.961 0.727 -14.271 1.00 5.78 H new ATOM 0 HA3 GLY A 134 37.491 1.955 -15.429 1.00 5.78 H new ATOM 2006 N GLN A 135 36.307 2.771 -12.601 1.00 8.76 N ATOM 2007 CA GLN A 135 36.309 3.763 -11.532 1.00 10.22 C ATOM 2008 C GLN A 135 35.849 3.135 -10.220 1.00 10.54 C ATOM 2009 O GLN A 135 35.131 2.135 -10.220 1.00 9.45 O ATOM 2010 CB GLN A 135 35.384 4.926 -11.895 1.00 11.41 C ATOM 2011 CG GLN A 135 35.173 4.957 -13.410 1.00 15.22 C ATOM 2012 CD GLN A 135 34.494 6.261 -13.816 1.00 14.99 C ATOM 2013 OE1 GLN A 135 33.697 6.809 -13.055 1.00 22.05 O ATOM 2014 NE2 GLN A 135 34.765 6.792 -14.976 1.00 21.85 N ATOM 0 H GLN A 135 35.438 2.245 -12.691 1.00 8.76 H new ATOM 0 HA GLN A 135 37.326 4.135 -11.408 1.00 10.22 H new ATOM 0 HB2 GLN A 135 34.426 4.815 -11.386 1.00 11.41 H new ATOM 0 HB3 GLN A 135 35.817 5.868 -11.558 1.00 11.41 H new ATOM 0 HG2 GLN A 135 36.131 4.862 -13.921 1.00 15.22 H new ATOM 0 HG3 GLN A 135 34.562 4.108 -13.718 1.00 15.22 H new ATOM 0 HE21 GLN A 135 35.426 6.335 -15.604 1.00 21.85 H new ATOM 0 HE22 GLN A 135 34.316 7.664 -15.255 1.00 21.85 H new ATOM 2023 N VAL A 136 36.268 3.725 -9.105 1.00 10.23 N ATOM 2024 CA VAL A 136 35.891 3.209 -7.794 1.00 8.85 C ATOM 2025 C VAL A 136 34.943 4.174 -7.089 1.00 7.34 C ATOM 2026 O VAL A 136 35.170 5.383 -7.072 1.00 7.03 O ATOM 2027 CB VAL A 136 37.140 3.000 -6.937 1.00 7.54 C ATOM 2028 CG1 VAL A 136 36.742 2.377 -5.598 1.00 8.16 C ATOM 2029 CG2 VAL A 136 38.107 2.065 -7.666 1.00 10.34 C ATOM 0 H VAL A 136 36.863 4.553 -9.082 1.00 10.23 H new ATOM 0 HA VAL A 136 35.382 2.255 -7.933 1.00 8.85 H new ATOM 0 HB VAL A 136 37.625 3.960 -6.761 1.00 7.54 H new ATOM 0 HG11 VAL A 136 37.632 2.228 -4.987 1.00 8.16 H new ATOM 0 HG12 VAL A 136 36.052 3.042 -5.078 1.00 8.16 H new ATOM 0 HG13 VAL A 136 36.257 1.417 -5.773 1.00 8.16 H new ATOM 0 HG21 VAL A 136 38.998 1.915 -7.056 1.00 10.34 H new ATOM 0 HG22 VAL A 136 37.622 1.105 -7.842 1.00 10.34 H new ATOM 0 HG23 VAL A 136 38.391 2.508 -8.621 1.00 10.34 H new ATOM 2039 N ASN A 137 33.884 3.627 -6.501 1.00 6.53 N ATOM 2040 CA ASN A 137 32.909 4.446 -5.789 1.00 7.00 C ATOM 2041 C ASN A 137 33.006 4.199 -4.287 1.00 7.22 C ATOM 2042 O ASN A 137 33.527 3.172 -3.851 1.00 10.52 O ATOM 2043 CB ASN A 137 31.496 4.117 -6.273 1.00 6.31 C ATOM 2044 CG ASN A 137 31.547 3.559 -7.691 1.00 7.74 C ATOM 2045 OD1 ASN A 137 30.870 2.578 -7.998 1.00 12.02 O ATOM 2046 ND2 ASN A 137 32.315 4.128 -8.579 1.00 9.78 N ATOM 0 H ASN A 137 33.680 2.628 -6.503 1.00 6.53 H new ATOM 0 HA ASN A 137 33.124 5.495 -5.991 1.00 7.00 H new ATOM 0 HB2 ASN A 137 31.033 3.391 -5.604 1.00 6.31 H new ATOM 0 HB3 ASN A 137 30.876 5.013 -6.248 1.00 6.31 H new ATOM 0 HD21 ASN A 137 32.355 3.760 -9.529 1.00 9.78 H new ATOM 0 HD22 ASN A 137 32.875 4.941 -8.323 1.00 9.78 H new ATOM 2053 N TYR A 138 32.503 5.143 -3.498 0.50 8.14 N ATOM 2054 CA TYR A 138 32.542 5.008 -2.047 0.50 7.95 C ATOM 2055 C TYR A 138 31.909 3.689 -1.616 0.50 8.75 C ATOM 2056 O TYR A 138 32.298 3.103 -0.606 0.50 8.62 O ATOM 2057 CB TYR A 138 31.795 6.172 -1.393 0.50 7.85 C ATOM 2058 CG TYR A 138 31.570 5.869 0.069 0.50 6.95 C ATOM 2059 CD1 TYR A 138 32.400 6.444 1.039 0.50 6.52 C ATOM 2060 CD2 TYR A 138 30.531 5.014 0.454 0.50 5.59 C ATOM 2061 CE1 TYR A 138 32.191 6.163 2.394 0.50 7.79 C ATOM 2062 CE2 TYR A 138 30.322 4.733 1.810 0.50 5.99 C ATOM 2063 CZ TYR A 138 31.152 5.308 2.780 0.50 6.26 C ATOM 2064 OH TYR A 138 30.946 5.031 4.116 0.50 6.33 O ATOM 0 H TYR A 138 32.068 6.002 -3.835 0.50 8.14 H new ATOM 0 HA TYR A 138 33.584 5.021 -1.727 0.50 7.95 H new ATOM 0 HB2 TYR A 138 32.369 7.092 -1.500 0.50 7.85 H new ATOM 0 HB3 TYR A 138 30.840 6.332 -1.893 0.50 7.85 H new ATOM 0 HD1 TYR A 138 33.201 7.104 0.742 0.50 6.52 H new ATOM 0 HD2 TYR A 138 29.891 4.571 -0.294 0.50 5.59 H new ATOM 0 HE1 TYR A 138 32.832 6.606 3.142 0.50 7.79 H new ATOM 0 HE2 TYR A 138 29.521 4.073 2.107 0.50 5.99 H new ATOM 0 HH TYR A 138 30.184 4.422 4.210 0.50 6.33 H new ATOM 2074 N GLU A 139 30.932 3.227 -2.390 1.00 9.07 N ATOM 2075 CA GLU A 139 30.252 1.975 -2.081 1.00 10.59 C ATOM 2076 C GLU A 139 31.212 0.798 -2.219 1.00 9.77 C ATOM 2077 O GLU A 139 31.188 -0.133 -1.414 1.00 11.13 O ATOM 2078 CB GLU A 139 29.062 1.780 -3.022 1.00 10.86 C ATOM 2079 CG GLU A 139 28.399 0.431 -2.734 1.00 14.67 C ATOM 2080 CD GLU A 139 28.926 -0.625 -3.700 1.00 16.27 C ATOM 2081 OE1 GLU A 139 28.498 -0.620 -4.843 1.00 22.33 O ATOM 2082 OE2 GLU A 139 29.749 -1.423 -3.283 1.00 20.01 O ATOM 0 H GLU A 139 30.595 3.697 -3.230 1.00 9.07 H new ATOM 0 HA GLU A 139 29.896 2.020 -1.052 1.00 10.59 H new ATOM 0 HB2 GLU A 139 28.342 2.587 -2.887 1.00 10.86 H new ATOM 0 HB3 GLU A 139 29.395 1.820 -4.059 1.00 10.86 H new ATOM 0 HG2 GLU A 139 28.601 0.129 -1.706 1.00 14.67 H new ATOM 0 HG3 GLU A 139 27.317 0.519 -2.833 1.00 14.67 H new ATOM 2089 N GLU A 140 32.056 0.846 -3.245 1.00 10.22 N ATOM 2090 CA GLU A 140 33.020 -0.222 -3.479 1.00 8.98 C ATOM 2091 C GLU A 140 33.984 -0.337 -2.302 1.00 8.77 C ATOM 2092 O GLU A 140 34.297 -1.439 -1.850 1.00 8.82 O ATOM 2093 CB GLU A 140 33.807 0.056 -4.761 1.00 9.71 C ATOM 2094 CG GLU A 140 32.915 0.798 -5.758 1.00 8.70 C ATOM 2095 CD GLU A 140 33.560 0.790 -7.140 1.00 9.57 C ATOM 2096 OE1 GLU A 140 34.419 -0.046 -7.367 1.00 13.45 O ATOM 2097 OE2 GLU A 140 33.184 1.619 -7.952 1.00 10.05 O ATOM 0 H GLU A 140 32.092 1.607 -3.923 1.00 10.22 H new ATOM 0 HA GLU A 140 32.477 -1.161 -3.584 1.00 8.98 H new ATOM 0 HB2 GLU A 140 34.691 0.652 -4.535 1.00 9.71 H new ATOM 0 HB3 GLU A 140 34.156 -0.880 -5.196 1.00 9.71 H new ATOM 0 HG2 GLU A 140 31.934 0.325 -5.803 1.00 8.70 H new ATOM 0 HG3 GLU A 140 32.760 1.824 -5.426 1.00 8.70 H new ATOM 2104 N PHE A 141 34.451 0.806 -1.812 1.00 7.84 N ATOM 2105 CA PHE A 141 35.378 0.821 -0.687 1.00 6.81 C ATOM 2106 C PHE A 141 34.847 -0.042 0.454 1.00 7.49 C ATOM 2107 O PHE A 141 35.599 -0.786 1.083 1.00 8.25 O ATOM 2108 CB PHE A 141 35.578 2.257 -0.193 1.00 7.47 C ATOM 2109 CG PHE A 141 36.957 2.739 -0.578 1.00 5.76 C ATOM 2110 CD1 PHE A 141 37.303 2.868 -1.929 1.00 6.47 C ATOM 2111 CD2 PHE A 141 37.890 3.058 0.416 1.00 4.85 C ATOM 2112 CE1 PHE A 141 38.581 3.315 -2.285 1.00 2.00 C ATOM 2113 CE2 PHE A 141 39.168 3.505 0.060 1.00 4.27 C ATOM 2114 CZ PHE A 141 39.513 3.634 -1.291 1.00 2.00 C ATOM 0 H PHE A 141 34.205 1.728 -2.173 1.00 7.84 H new ATOM 0 HA PHE A 141 36.333 0.416 -1.021 1.00 6.81 H new ATOM 0 HB2 PHE A 141 34.820 2.910 -0.626 1.00 7.47 H new ATOM 0 HB3 PHE A 141 35.456 2.300 0.889 1.00 7.47 H new ATOM 0 HD1 PHE A 141 36.584 2.623 -2.696 1.00 6.47 H new ATOM 0 HD2 PHE A 141 37.624 2.959 1.458 1.00 4.85 H new ATOM 0 HE1 PHE A 141 38.848 3.414 -3.327 1.00 2.00 H new ATOM 0 HE2 PHE A 141 39.888 3.750 0.827 1.00 4.27 H new ATOM 0 HZ PHE A 141 40.499 3.980 -1.566 1.00 2.00 H new ATOM 2124 N VAL A 142 33.548 0.064 0.713 1.00 5.97 N ATOM 2125 CA VAL A 142 32.927 -0.712 1.780 1.00 6.53 C ATOM 2126 C VAL A 142 32.929 -2.197 1.433 1.00 5.16 C ATOM 2127 O VAL A 142 33.135 -3.046 2.300 1.00 5.28 O ATOM 2128 CB VAL A 142 31.489 -0.240 2.000 1.00 7.17 C ATOM 2129 CG1 VAL A 142 30.783 -1.186 2.971 1.00 10.15 C ATOM 2130 CG2 VAL A 142 31.501 1.174 2.585 1.00 7.96 C ATOM 0 H VAL A 142 32.909 0.674 0.203 1.00 5.97 H new ATOM 0 HA VAL A 142 33.502 -0.563 2.694 1.00 6.53 H new ATOM 0 HB VAL A 142 30.959 -0.236 1.048 1.00 7.17 H new ATOM 0 HG11 VAL A 142 29.758 -0.849 3.127 1.00 10.15 H new ATOM 0 HG12 VAL A 142 30.774 -2.194 2.556 1.00 10.15 H new ATOM 0 HG13 VAL A 142 31.312 -1.191 3.924 1.00 10.15 H new ATOM 0 HG21 VAL A 142 30.477 1.511 2.742 1.00 7.96 H new ATOM 0 HG22 VAL A 142 32.032 1.169 3.537 1.00 7.96 H new ATOM 0 HG23 VAL A 142 32.003 1.850 1.893 1.00 7.96 H new ATOM 2140 N GLN A 143 32.700 -2.503 0.160 0.50 5.93 N ATOM 2141 CA GLN A 143 32.679 -3.890 -0.290 0.50 5.91 C ATOM 2142 C GLN A 143 33.948 -4.613 0.147 0.50 5.69 C ATOM 2143 O GLN A 143 33.887 -5.677 0.764 0.50 5.40 O ATOM 2144 CB GLN A 143 32.557 -3.943 -1.814 0.50 5.96 C ATOM 2145 CG GLN A 143 31.241 -3.291 -2.244 0.50 6.79 C ATOM 2146 CD GLN A 143 30.065 -4.170 -1.832 0.50 8.07 C ATOM 2147 OE1 GLN A 143 29.325 -3.826 -0.911 0.50 7.89 O ATOM 2148 NE2 GLN A 143 29.848 -5.292 -2.463 0.50 8.24 N ATOM 0 H GLN A 143 32.528 -1.815 -0.573 0.50 5.93 H new ATOM 0 HA GLN A 143 31.819 -4.386 0.160 0.50 5.91 H new ATOM 0 HB2 GLN A 143 33.399 -3.426 -2.275 0.50 5.96 H new ATOM 0 HB3 GLN A 143 32.592 -4.977 -2.156 0.50 5.96 H new ATOM 0 HG2 GLN A 143 31.147 -2.306 -1.787 0.50 6.79 H new ATOM 0 HG3 GLN A 143 31.235 -3.143 -3.324 0.50 6.79 H new ATOM 0 HE21 GLN A 143 30.463 -5.575 -3.226 0.50 8.24 H new ATOM 0 HE22 GLN A 143 29.064 -5.886 -2.193 0.50 8.24 H new ATOM 2157 N MET A 144 35.097 -4.029 -0.177 0.50 6.59 N ATOM 2158 CA MET A 144 36.376 -4.628 0.188 0.50 5.84 C ATOM 2159 C MET A 144 36.387 -5.010 1.665 0.50 6.04 C ATOM 2160 O MET A 144 36.894 -6.067 2.038 0.50 6.68 O ATOM 2161 CB MET A 144 37.513 -3.643 -0.095 0.50 5.76 C ATOM 2162 CG MET A 144 38.784 -4.418 -0.448 0.50 5.91 C ATOM 2163 SD MET A 144 40.038 -3.270 -1.067 0.50 4.59 S ATOM 2164 CE MET A 144 41.159 -3.372 0.350 0.50 2.00 C ATOM 0 H MET A 144 35.169 -3.149 -0.687 0.50 6.59 H new ATOM 0 HA MET A 144 36.518 -5.529 -0.409 0.50 5.84 H new ATOM 0 HB2 MET A 144 37.239 -2.981 -0.916 0.50 5.76 H new ATOM 0 HB3 MET A 144 37.689 -3.014 0.777 0.50 5.76 H new ATOM 0 HG2 MET A 144 39.158 -4.943 0.431 0.50 5.91 H new ATOM 0 HG3 MET A 144 38.564 -5.174 -1.202 0.50 5.91 H new ATOM 0 HE1 MET A 144 42.022 -2.728 0.179 0.50 2.00 H new ATOM 0 HE2 MET A 144 40.637 -3.048 1.251 0.50 2.00 H new ATOM 0 HE3 MET A 144 41.494 -4.402 0.475 0.50 2.00 H new ATOM 2174 N MET A 145 35.823 -4.143 2.499 0.50 6.29 N ATOM 2175 CA MET A 145 35.773 -4.400 3.934 0.50 7.25 C ATOM 2176 C MET A 145 34.905 -5.619 4.229 0.50 7.30 C ATOM 2177 O MET A 145 34.791 -6.049 5.377 0.50 6.60 O ATOM 2178 CB MET A 145 35.208 -3.180 4.664 0.50 7.65 C ATOM 2179 CG MET A 145 34.635 -3.613 6.015 0.50 9.43 C ATOM 2180 SD MET A 145 34.278 -2.148 7.016 0.50 13.37 S ATOM 2181 CE MET A 145 35.010 -2.746 8.560 0.50 13.25 C ATOM 0 H MET A 145 35.397 -3.263 2.209 0.50 6.29 H new ATOM 0 HA MET A 145 36.786 -4.595 4.285 0.50 7.25 H new ATOM 0 HB2 MET A 145 35.991 -2.436 4.811 0.50 7.65 H new ATOM 0 HB3 MET A 145 34.431 -2.710 4.061 0.50 7.65 H new ATOM 0 HG2 MET A 145 33.726 -4.196 5.867 0.50 9.43 H new ATOM 0 HG3 MET A 145 35.345 -4.257 6.534 0.50 9.43 H new ATOM 0 HE1 MET A 145 34.901 -1.985 9.333 0.50 13.25 H new ATOM 0 HE2 MET A 145 34.502 -3.658 8.874 0.50 13.25 H new ATOM 0 HE3 MET A 145 36.068 -2.955 8.404 0.50 13.25 H new ATOM 2191 N THR A 146 34.296 -6.172 3.185 1.00 7.72 N ATOM 2192 CA THR A 146 33.440 -7.343 3.344 1.00 9.13 C ATOM 2193 C THR A 146 34.081 -8.566 2.697 1.00 10.78 C ATOM 2194 O THR A 146 33.807 -9.701 3.086 1.00 9.16 O ATOM 2195 CB THR A 146 32.074 -7.082 2.707 1.00 10.24 C ATOM 2196 OG1 THR A 146 32.211 -7.050 1.293 1.00 8.27 O ATOM 2197 CG2 THR A 146 31.526 -5.741 3.199 1.00 10.65 C ATOM 0 H THR A 146 34.378 -5.832 2.227 1.00 7.72 H new ATOM 0 HA THR A 146 33.312 -7.535 4.409 1.00 9.13 H new ATOM 0 HB THR A 146 31.384 -7.878 2.988 1.00 10.24 H new ATOM 0 HG1 THR A 146 32.819 -6.324 1.040 1.00 8.27 H new ATOM 0 HG21 THR A 146 30.553 -5.557 2.744 1.00 10.65 H new ATOM 0 HG22 THR A 146 31.421 -5.767 4.284 1.00 10.65 H new ATOM 0 HG23 THR A 146 32.214 -4.943 2.920 1.00 10.65 H new ATOM 2205 N ALA A 147 34.935 -8.326 1.707 1.00 12.23 N ATOM 2206 CA ALA A 147 35.609 -9.416 1.012 1.00 14.56 C ATOM 2207 C ALA A 147 36.638 -10.077 1.923 1.00 16.77 C ATOM 2208 O ALA A 147 37.474 -9.403 2.524 1.00 18.52 O ATOM 2209 CB ALA A 147 36.303 -8.885 -0.244 1.00 15.29 C ATOM 0 H ALA A 147 35.175 -7.394 1.370 1.00 12.23 H new ATOM 0 HA ALA A 147 34.862 -10.157 0.728 1.00 14.56 H new ATOM 0 HB1 ALA A 147 36.804 -9.706 -0.757 1.00 15.29 H new ATOM 0 HB2 ALA A 147 35.562 -8.440 -0.908 1.00 15.29 H new ATOM 0 HB3 ALA A 147 37.038 -8.131 0.038 1.00 15.29 H new ATOM 2215 N LYS A 148 36.570 -11.401 2.021 1.00 18.29 N ATOM 2216 CA LYS A 148 37.502 -12.143 2.863 1.00 19.47 C ATOM 2217 C LYS A 148 38.937 -11.702 2.592 1.00 20.05 C ATOM 2218 O LYS A 148 39.495 -12.147 1.603 1.00 20.38 O ATOM 2219 CB LYS A 148 37.367 -13.643 2.594 1.00 19.94 C ATOM 2220 CG LYS A 148 35.993 -14.125 3.063 1.00 19.92 C ATOM 2221 CD LYS A 148 35.788 -15.580 2.635 1.00 21.49 C ATOM 2222 CE LYS A 148 34.634 -16.190 3.433 1.00 21.36 C ATOM 2223 NZ LYS A 148 35.181 -16.978 4.573 1.00 23.42 N ATOM 2224 OXT LYS A 148 39.455 -10.927 3.378 1.00 20.68 O ATOM 0 H LYS A 148 35.885 -11.978 1.532 1.00 18.29 H new ATOM 0 HA LYS A 148 37.263 -11.938 3.906 1.00 19.47 H new ATOM 0 HB2 LYS A 148 37.491 -13.845 1.530 1.00 19.94 H new ATOM 0 HB3 LYS A 148 38.153 -14.189 3.116 1.00 19.94 H new ATOM 0 HG2 LYS A 148 35.917 -14.040 4.147 1.00 19.92 H new ATOM 0 HG3 LYS A 148 35.211 -13.496 2.638 1.00 19.92 H new ATOM 0 HD2 LYS A 148 35.572 -15.629 1.568 1.00 21.49 H new ATOM 0 HD3 LYS A 148 36.701 -16.151 2.802 1.00 21.49 H new ATOM 0 HE2 LYS A 148 33.977 -15.403 3.803 1.00 21.36 H new ATOM 0 HE3 LYS A 148 34.032 -16.831 2.790 1.00 21.36 H new ATOM 0 HZ1 LYS A 148 34.397 -17.393 5.116 1.00 23.42 H new ATOM 0 HZ2 LYS A 148 35.790 -17.738 4.209 1.00 23.42 H new ATOM 0 HZ3 LYS A 148 35.738 -16.354 5.191 1.00 23.42 H new TER 2238 LYS A 148 HETATM 2239 CA CA A 401 64.988 7.337 10.095 1.00 3.06 CA HETATM 2240 CA CA A 402 38.314 12.220 -9.080 1.00 3.06 CA HETATM 2241 CA CA A 403 32.982 0.064 -10.510 1.00 3.06 CA HETATM 2242 TB TB A 404 58.846 2.314 19.896 1.00 4.04 TB