USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 110 ASN : amide:sc= -2.01! K(o=-0.76!,f=-4.5) USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc=-0.00984 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -129:sc= -0.357 (180deg=-0.22) USER MOD Set 3.2: A 29 ASN : amide:sc= -3.74! C(o=-4.1!,f=-4.8!) USER MOD Single : A 3 HIS : no HE2:sc= -4.02 K(o=-4,f=-5.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00991 USER MOD Single : A 9 HIS : no HD1:sc= -3.03! C(o=-3!,f=-9.9!) USER MOD Single : A 10 ASN : amide:sc= -3.74! C(o=-3.7!,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.32 K(o=-2.3,f=-0.59) USER MOD Single : A 28 SER OG : rot 77:sc= 0.931 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -160:sc= -0.0232 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -170:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.93! C(o=-2.9!,f=-2.8!) USER MOD Single : A 49 SER OG : rot 90:sc= 1.45 USER MOD Single : A 50 MET CE :methyl -121:sc= -0.0579 (180deg=-1.68!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 55 ASN : amide:sc= -0.405 K(o=-0.4,f=-2!) USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= -0.019 (180deg=-0.149) USER MOD Single : A 57 TYR OH : rot -19:sc= 0.0259 USER MOD Single : A 62 SER OG : rot 3:sc= 0.433 USER MOD Single : A 63 LYS NZ :NH3+ 137:sc= 0.924 (180deg=-1.38!) USER MOD Single : A 70 THR OG1 : rot -68:sc= 0.406 USER MOD Single : A 72 HIS : no HE2:sc= -5.9! C(o=-5.9!,f=-9.5!) USER MOD Single : A 74 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-5.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.8 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0.673 (180deg=0.554) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -5.81! C(o=-5.8!,f=-9.5!) USER MOD Single : A 86 ASN : amide:sc= -4.31! K(o=-4.3!,f=-1.3) USER MOD Single : A 88 THR OG1 : rot 73:sc= 1.76 USER MOD Single : A 89 TYR OH : rot -98:sc= -0.265 USER MOD Single : A 90 MET CE :methyl -165:sc= -3.57! (180deg=-4.89!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.18) USER MOD Single : A 100 SER OG : rot 65:sc= 1.23 USER MOD Single : A 104 THR OG1 : rot -18:sc= 0.907 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -6.115 -9.961 5.009 1.00 0.59 N ATOM 2 CA HIS A 3 -5.253 -9.043 5.721 1.00 0.46 C ATOM 3 C HIS A 3 -5.320 -7.683 5.046 1.00 0.43 C ATOM 4 O HIS A 3 -5.553 -7.600 3.843 1.00 0.47 O ATOM 5 CB HIS A 3 -3.804 -9.557 5.729 1.00 0.45 C ATOM 6 CG HIS A 3 -2.832 -8.555 6.252 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.803 -8.140 7.564 1.00 0.47 N ATOM 8 CD2 HIS A 3 -1.884 -7.845 5.609 1.00 0.45 C ATOM 9 CE1 HIS A 3 -1.890 -7.205 7.706 1.00 0.52 C ATOM 10 NE2 HIS A 3 -1.315 -7.003 6.534 1.00 0.51 N ATOM 0 HA HIS A 3 -5.589 -8.961 6.755 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.748 -10.460 6.337 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.518 -9.837 4.715 1.00 0.45 H new ATOM 0 HD1 HIS A 3 -3.397 -8.502 8.310 1.00 0.47 H new ATOM 0 HD2 HIS A 3 -1.621 -7.923 4.564 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -1.651 -6.690 8.624 1.00 0.52 H new ATOM 19 N LYS A 4 -5.121 -6.628 5.814 1.00 0.40 N ATOM 20 CA LYS A 4 -5.108 -5.287 5.267 1.00 0.39 C ATOM 21 C LYS A 4 -4.026 -4.449 5.931 1.00 0.35 C ATOM 22 O LYS A 4 -3.773 -4.579 7.128 1.00 0.43 O ATOM 23 CB LYS A 4 -6.479 -4.639 5.454 1.00 0.54 C ATOM 24 CG LYS A 4 -6.962 -4.628 6.898 1.00 0.90 C ATOM 25 CD LYS A 4 -8.296 -3.912 7.043 1.00 1.13 C ATOM 26 CE LYS A 4 -8.172 -2.424 6.755 1.00 1.92 C ATOM 27 NZ LYS A 4 -9.464 -1.714 6.941 1.00 2.36 N ATOM 0 H LYS A 4 -4.966 -6.676 6.821 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.886 -5.343 4.201 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.439 -3.614 5.086 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.208 -5.169 4.841 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -7.059 -5.653 7.256 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -6.217 -4.140 7.526 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -9.022 -4.355 6.362 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -8.678 -4.056 8.054 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -7.420 -1.988 7.413 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -7.823 -2.280 5.733 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -9.337 -0.703 6.735 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -10.175 -2.112 6.295 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -9.785 -1.830 7.923 1.00 2.36 H new ATOM 41 N VAL A 5 -3.347 -3.627 5.150 1.00 0.31 N ATOM 42 CA VAL A 5 -2.419 -2.670 5.722 1.00 0.33 C ATOM 43 C VAL A 5 -2.989 -1.261 5.669 1.00 0.27 C ATOM 44 O VAL A 5 -3.560 -0.849 4.676 1.00 0.29 O ATOM 45 CB VAL A 5 -1.007 -2.715 5.071 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.333 -1.358 5.137 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.151 -3.744 5.783 1.00 0.49 C ATOM 0 H VAL A 5 -3.419 -3.603 4.133 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.288 -2.962 6.764 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.121 -2.991 4.023 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.652 -1.418 4.675 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -0.939 -0.625 4.605 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.227 -1.055 6.179 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.838 -3.774 5.325 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.056 -3.474 6.835 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.618 -4.725 5.702 1.00 0.49 H new ATOM 57 N THR A 6 -2.901 -0.582 6.790 1.00 0.41 N ATOM 58 CA THR A 6 -3.189 0.834 6.886 1.00 0.33 C ATOM 59 C THR A 6 -1.915 1.609 7.221 1.00 0.37 C ATOM 60 O THR A 6 -0.890 0.992 7.524 1.00 0.51 O ATOM 61 CB THR A 6 -4.264 1.070 7.942 1.00 0.36 C ATOM 62 OG1 THR A 6 -4.028 0.198 9.057 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.637 0.808 7.347 1.00 0.36 C ATOM 0 H THR A 6 -2.623 -1.004 7.676 1.00 0.41 H new ATOM 0 HA THR A 6 -3.561 1.193 5.926 1.00 0.33 H new ATOM 0 HB THR A 6 -4.226 2.105 8.282 1.00 0.36 H new ATOM 0 HG1 THR A 6 -4.715 0.347 9.740 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.401 0.978 8.106 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.804 1.482 6.507 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.693 -0.224 7.001 1.00 0.36 H new ATOM 71 N LYS A 7 -1.980 2.942 7.135 1.00 0.30 N ATOM 72 CA LYS A 7 -0.811 3.827 7.293 1.00 0.28 C ATOM 73 C LYS A 7 0.139 3.405 8.422 1.00 0.27 C ATOM 74 O LYS A 7 1.350 3.479 8.253 1.00 0.32 O ATOM 75 CB LYS A 7 -1.262 5.265 7.534 1.00 0.27 C ATOM 76 CG LYS A 7 -0.104 6.245 7.618 1.00 0.28 C ATOM 77 CD LYS A 7 0.854 6.067 6.449 1.00 0.42 C ATOM 78 CE LYS A 7 2.045 7.016 6.533 1.00 0.35 C ATOM 79 NZ LYS A 7 1.646 8.437 6.737 1.00 0.83 N ATOM 0 H LYS A 7 -2.849 3.445 6.953 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.254 3.747 6.359 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -1.931 5.570 6.729 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.836 5.309 8.459 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.487 7.265 7.625 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.432 6.099 8.556 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.212 5.038 6.428 1.00 0.42 H new ATOM 0 HD3 LYS A 7 0.320 6.238 5.514 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.693 6.705 7.353 1.00 0.35 H new ATOM 0 HE3 LYS A 7 2.630 6.937 5.617 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 2.120 9.035 6.031 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 0.615 8.527 6.631 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 1.924 8.742 7.692 1.00 0.83 H new ATOM 93 N ALA A 8 -0.396 2.971 9.563 1.00 0.25 N ATOM 94 CA ALA A 8 0.441 2.591 10.709 1.00 0.26 C ATOM 95 C ALA A 8 1.484 1.537 10.321 1.00 0.23 C ATOM 96 O ALA A 8 2.623 1.539 10.808 1.00 0.24 O ATOM 97 CB ALA A 8 -0.426 2.076 11.846 1.00 0.33 C ATOM 0 H ALA A 8 -1.399 2.873 9.722 1.00 0.25 H new ATOM 0 HA ALA A 8 0.975 3.482 11.040 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.207 1.798 12.689 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -1.121 2.856 12.156 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.987 1.204 11.510 1.00 0.33 H new ATOM 103 N HIS A 9 1.105 0.665 9.400 1.00 0.23 N ATOM 104 CA HIS A 9 1.980 -0.407 8.945 1.00 0.23 C ATOM 105 C HIS A 9 3.170 0.133 8.175 1.00 0.23 C ATOM 106 O HIS A 9 4.015 -0.639 7.724 1.00 0.25 O ATOM 107 CB HIS A 9 1.236 -1.403 8.080 1.00 0.28 C ATOM 108 CG HIS A 9 0.214 -2.211 8.809 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.127 -2.005 8.644 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.335 -3.274 9.635 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.797 -2.914 9.326 1.00 1.69 C ATOM 112 NE2 HIS A 9 -0.933 -3.698 9.943 1.00 2.12 N ATOM 0 H HIS A 9 0.190 0.678 8.949 1.00 0.23 H new ATOM 0 HA HIS A 9 2.339 -0.914 9.840 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.745 -0.866 7.269 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.958 -2.080 7.623 1.00 0.28 H new ATOM 0 HD2 HIS A 9 1.259 -3.709 9.987 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -2.872 -3.002 9.372 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -1.168 -4.486 10.547 1.00 2.12 H new ATOM 121 N ASN A 10 3.215 1.461 8.004 1.00 0.22 N ATOM 122 CA ASN A 10 4.389 2.152 7.465 1.00 0.24 C ATOM 123 C ASN A 10 5.652 1.670 8.193 1.00 0.24 C ATOM 124 O ASN A 10 6.770 1.829 7.702 1.00 0.26 O ATOM 125 CB ASN A 10 4.217 3.678 7.621 1.00 0.31 C ATOM 126 CG ASN A 10 5.430 4.474 7.173 1.00 0.56 C ATOM 127 OD1 ASN A 10 6.368 4.680 7.936 1.00 1.41 O ATOM 128 ND2 ASN A 10 5.407 4.955 5.940 1.00 0.96 N ATOM 0 H ASN A 10 2.440 2.083 8.235 1.00 0.22 H new ATOM 0 HA ASN A 10 4.490 1.924 6.404 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.349 3.998 7.045 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.008 3.907 8.666 1.00 0.31 H new ATOM 0 HD21 ASN A 10 6.186 5.517 5.597 1.00 0.96 H new ATOM 0 HD22 ASN A 10 4.610 4.764 5.333 1.00 0.96 H new ATOM 135 N GLY A 11 5.444 1.056 9.359 1.00 0.25 N ATOM 136 CA GLY A 11 6.531 0.438 10.092 1.00 0.26 C ATOM 137 C GLY A 11 6.119 -0.897 10.689 1.00 0.25 C ATOM 138 O GLY A 11 6.201 -1.092 11.900 1.00 0.30 O ATOM 0 H GLY A 11 4.532 0.978 9.809 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.382 0.292 9.427 1.00 0.26 H new ATOM 0 HA3 GLY A 11 6.860 1.107 10.888 1.00 0.26 H new ATOM 142 N ALA A 12 5.656 -1.816 9.846 1.00 0.24 N ATOM 143 CA ALA A 12 5.148 -3.104 10.329 1.00 0.27 C ATOM 144 C ALA A 12 6.087 -4.276 10.052 1.00 0.28 C ATOM 145 O ALA A 12 6.925 -4.220 9.154 1.00 0.31 O ATOM 146 CB ALA A 12 3.812 -3.406 9.690 1.00 0.32 C ATOM 0 H ALA A 12 5.620 -1.698 8.833 1.00 0.24 H new ATOM 0 HA ALA A 12 5.058 -3.001 11.410 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.443 -4.364 10.055 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.100 -2.621 9.947 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.928 -3.450 8.607 1.00 0.32 H new ATOM 152 N THR A 13 5.920 -5.337 10.837 1.00 0.39 N ATOM 153 CA THR A 13 6.549 -6.629 10.579 1.00 0.44 C ATOM 154 C THR A 13 5.699 -7.741 11.208 1.00 0.56 C ATOM 155 O THR A 13 5.717 -7.919 12.427 1.00 0.95 O ATOM 156 CB THR A 13 7.978 -6.699 11.158 1.00 0.71 C ATOM 157 OG1 THR A 13 8.757 -5.583 10.703 1.00 0.89 O ATOM 158 CG2 THR A 13 8.667 -7.992 10.745 1.00 0.74 C ATOM 0 H THR A 13 5.340 -5.324 11.676 1.00 0.39 H new ATOM 0 HA THR A 13 6.615 -6.758 9.499 1.00 0.44 H new ATOM 0 HB THR A 13 7.899 -6.669 12.245 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.660 -5.639 11.079 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.673 -8.019 11.165 1.00 0.74 H new ATOM 0 HG22 THR A 13 8.096 -8.843 11.116 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.726 -8.041 9.658 1.00 0.74 H new ATOM 166 N LEU A 14 4.942 -8.471 10.386 1.00 0.39 N ATOM 167 CA LEU A 14 4.018 -9.491 10.890 1.00 0.70 C ATOM 168 C LEU A 14 3.564 -10.443 9.781 1.00 0.35 C ATOM 169 O LEU A 14 3.809 -10.203 8.601 1.00 0.88 O ATOM 170 CB LEU A 14 2.786 -8.857 11.551 1.00 1.51 C ATOM 171 CG LEU A 14 1.851 -8.085 10.621 1.00 2.04 C ATOM 172 CD1 LEU A 14 0.496 -7.884 11.280 1.00 2.43 C ATOM 173 CD2 LEU A 14 2.460 -6.746 10.263 1.00 3.00 C ATOM 0 H LEU A 14 4.950 -8.376 9.370 1.00 0.39 H new ATOM 0 HA LEU A 14 4.568 -10.062 11.638 1.00 0.70 H new ATOM 0 HB2 LEU A 14 2.213 -9.646 12.037 1.00 1.51 H new ATOM 0 HB3 LEU A 14 3.126 -8.181 12.335 1.00 1.51 H new ATOM 0 HG LEU A 14 1.712 -8.664 9.708 1.00 2.04 H new ATOM 0 HD11 LEU A 14 -0.159 -7.333 10.605 1.00 2.43 H new ATOM 0 HD12 LEU A 14 0.053 -8.854 11.503 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.621 -7.321 12.205 1.00 2.43 H new ATOM 0 HD21 LEU A 14 1.785 -6.205 9.600 1.00 3.00 H new ATOM 0 HD22 LEU A 14 2.620 -6.165 11.171 1.00 3.00 H new ATOM 0 HD23 LEU A 14 3.414 -6.903 9.760 1.00 3.00 H new ATOM 185 N THR A 15 2.895 -11.524 10.175 1.00 0.70 N ATOM 186 CA THR A 15 2.448 -12.540 9.234 1.00 0.74 C ATOM 187 C THR A 15 0.965 -12.374 8.911 1.00 0.82 C ATOM 188 O THR A 15 0.170 -11.964 9.759 1.00 1.21 O ATOM 189 CB THR A 15 2.648 -13.961 9.798 1.00 1.40 C ATOM 190 OG1 THR A 15 4.030 -14.194 10.099 1.00 1.55 O ATOM 191 CG2 THR A 15 2.147 -15.005 8.808 1.00 1.73 C ATOM 0 H THR A 15 2.651 -11.717 11.146 1.00 0.70 H new ATOM 0 HA THR A 15 3.049 -12.411 8.334 1.00 0.74 H new ATOM 0 HB THR A 15 2.070 -14.045 10.719 1.00 1.40 H new ATOM 0 HG1 THR A 15 4.139 -15.100 10.457 1.00 1.55 H new ATOM 0 HG21 THR A 15 2.296 -16.002 9.223 1.00 1.73 H new ATOM 0 HG22 THR A 15 1.085 -14.846 8.618 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.700 -14.915 7.873 1.00 1.73 H new ATOM 199 N VAL A 16 0.612 -12.691 7.673 1.00 0.57 N ATOM 200 CA VAL A 16 -0.762 -12.621 7.210 1.00 0.64 C ATOM 201 C VAL A 16 -1.247 -13.994 6.749 1.00 0.59 C ATOM 202 O VAL A 16 -0.444 -14.830 6.333 1.00 0.59 O ATOM 203 CB VAL A 16 -0.884 -11.616 6.047 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.121 -10.351 6.380 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.373 -12.195 4.746 1.00 0.63 C ATOM 0 H VAL A 16 1.273 -13.004 6.962 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.383 -12.288 8.042 1.00 0.64 H new ATOM 0 HB VAL A 16 -1.942 -11.387 5.916 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.210 -9.644 5.555 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.533 -9.906 7.286 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.930 -10.591 6.539 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.477 -11.455 3.953 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.677 -12.464 4.855 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -0.951 -13.083 4.491 1.00 0.63 H new ATOM 215 N ALA A 17 -2.549 -14.227 6.842 1.00 0.63 N ATOM 216 CA ALA A 17 -3.150 -15.437 6.302 1.00 0.60 C ATOM 217 C ALA A 17 -3.879 -15.110 5.014 1.00 0.55 C ATOM 218 O ALA A 17 -4.931 -14.476 5.040 1.00 0.76 O ATOM 219 CB ALA A 17 -4.118 -16.031 7.305 1.00 0.75 C ATOM 0 H ALA A 17 -3.210 -13.591 7.288 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.365 -16.165 6.098 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.562 -16.936 6.890 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.585 -16.276 8.224 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -4.904 -15.309 7.524 1.00 0.75 H new ATOM 225 N VAL A 18 -3.326 -15.537 3.893 1.00 0.54 N ATOM 226 CA VAL A 18 -3.872 -15.180 2.590 1.00 0.50 C ATOM 227 C VAL A 18 -4.967 -16.141 2.148 1.00 0.49 C ATOM 228 O VAL A 18 -5.449 -16.958 2.933 1.00 0.59 O ATOM 229 CB VAL A 18 -2.779 -15.129 1.505 1.00 0.58 C ATOM 230 CG1 VAL A 18 -1.737 -14.079 1.846 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.132 -16.495 1.312 1.00 1.12 C ATOM 0 H VAL A 18 -2.498 -16.132 3.856 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.302 -14.186 2.708 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.251 -14.850 0.563 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -0.974 -14.058 1.068 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.214 -13.101 1.913 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.274 -14.323 2.802 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.365 -16.429 0.541 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -1.678 -16.818 2.249 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -2.890 -17.217 1.009 1.00 1.12 H new ATOM 241 N GLY A 19 -5.360 -16.021 0.889 1.00 0.52 N ATOM 242 CA GLY A 19 -6.417 -16.853 0.353 1.00 0.55 C ATOM 243 C GLY A 19 -7.611 -16.027 -0.054 1.00 0.59 C ATOM 244 O GLY A 19 -8.099 -16.137 -1.178 1.00 0.71 O ATOM 0 H GLY A 19 -4.962 -15.357 0.225 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.045 -17.407 -0.509 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -6.718 -17.588 1.099 1.00 0.55 H new ATOM 248 N GLU A 20 -8.060 -15.178 0.855 1.00 0.57 N ATOM 249 CA GLU A 20 -9.163 -14.273 0.587 1.00 0.64 C ATOM 250 C GLU A 20 -8.664 -13.051 -0.174 1.00 0.50 C ATOM 251 O GLU A 20 -8.839 -12.938 -1.389 1.00 0.50 O ATOM 252 CB GLU A 20 -9.807 -13.833 1.904 1.00 0.76 C ATOM 253 CG GLU A 20 -10.444 -14.967 2.686 1.00 0.96 C ATOM 254 CD GLU A 20 -11.780 -15.372 2.109 1.00 1.55 C ATOM 255 OE1 GLU A 20 -11.807 -16.200 1.183 1.00 1.75 O ATOM 256 OE2 GLU A 20 -12.814 -14.843 2.567 1.00 2.35 O ATOM 0 H GLU A 20 -7.672 -15.097 1.795 1.00 0.57 H new ATOM 0 HA GLU A 20 -9.905 -14.792 -0.020 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.049 -13.356 2.526 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -10.566 -13.080 1.692 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -9.774 -15.827 2.688 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -10.575 -14.663 3.724 1.00 0.96 H new ATOM 263 N LEU A 21 -8.027 -12.149 0.557 1.00 0.45 N ATOM 264 CA LEU A 21 -7.505 -10.917 -0.008 1.00 0.32 C ATOM 265 C LEU A 21 -6.561 -10.246 0.975 1.00 0.38 C ATOM 266 O LEU A 21 -6.954 -9.918 2.094 1.00 0.64 O ATOM 267 CB LEU A 21 -8.657 -9.969 -0.360 1.00 0.39 C ATOM 268 CG LEU A 21 -8.249 -8.551 -0.766 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.381 -8.572 -2.012 1.00 0.56 C ATOM 270 CD2 LEU A 21 -9.481 -7.693 -0.989 1.00 0.71 C ATOM 0 H LEU A 21 -7.858 -12.252 1.558 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.953 -11.156 -0.917 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.230 -10.410 -1.176 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -9.325 -9.903 0.499 1.00 0.39 H new ATOM 0 HG LEU A 21 -7.664 -8.118 0.045 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -7.104 -7.552 -2.280 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.480 -9.153 -1.818 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -7.935 -9.025 -2.834 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -9.176 -6.687 -1.277 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -10.089 -8.129 -1.781 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -10.063 -7.646 -0.069 1.00 0.71 H new ATOM 282 N VAL A 22 -5.318 -10.052 0.572 1.00 0.27 N ATOM 283 CA VAL A 22 -4.355 -9.370 1.417 1.00 0.28 C ATOM 284 C VAL A 22 -3.996 -8.022 0.815 1.00 0.30 C ATOM 285 O VAL A 22 -3.254 -7.928 -0.159 1.00 0.37 O ATOM 286 CB VAL A 22 -3.101 -10.244 1.675 1.00 0.28 C ATOM 287 CG1 VAL A 22 -1.906 -9.404 2.105 1.00 0.40 C ATOM 288 CG2 VAL A 22 -3.431 -11.249 2.753 1.00 0.38 C ATOM 0 H VAL A 22 -4.953 -10.356 -0.331 1.00 0.27 H new ATOM 0 HA VAL A 22 -4.813 -9.194 2.391 1.00 0.28 H new ATOM 0 HB VAL A 22 -2.830 -10.747 0.747 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -1.047 -10.053 2.276 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -1.666 -8.684 1.322 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -2.147 -8.872 3.025 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -2.559 -11.873 2.948 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.713 -10.724 3.666 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -4.260 -11.876 2.425 1.00 0.38 H new ATOM 298 N GLU A 23 -4.541 -6.973 1.397 1.00 0.29 N ATOM 299 CA GLU A 23 -4.387 -5.653 0.819 1.00 0.36 C ATOM 300 C GLU A 23 -3.425 -4.791 1.610 1.00 0.27 C ATOM 301 O GLU A 23 -3.121 -5.052 2.775 1.00 0.37 O ATOM 302 CB GLU A 23 -5.728 -4.928 0.675 1.00 0.58 C ATOM 303 CG GLU A 23 -6.354 -4.470 1.985 1.00 0.96 C ATOM 304 CD GLU A 23 -7.569 -3.581 1.766 1.00 0.99 C ATOM 305 OE1 GLU A 23 -7.395 -2.386 1.430 1.00 1.06 O ATOM 306 OE2 GLU A 23 -8.708 -4.068 1.907 1.00 1.09 O ATOM 0 H GLU A 23 -5.087 -7.006 2.258 1.00 0.29 H new ATOM 0 HA GLU A 23 -3.970 -5.811 -0.175 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -5.587 -4.058 0.033 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -6.429 -5.589 0.166 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -6.646 -5.342 2.570 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -5.611 -3.928 2.570 1.00 0.96 H new ATOM 313 N ILE A 24 -2.956 -3.767 0.933 1.00 0.25 N ATOM 314 CA ILE A 24 -2.069 -2.774 1.491 1.00 0.24 C ATOM 315 C ILE A 24 -2.637 -1.400 1.156 1.00 0.29 C ATOM 316 O ILE A 24 -2.489 -0.916 0.042 1.00 0.54 O ATOM 317 CB ILE A 24 -0.658 -2.894 0.868 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.144 -4.339 0.948 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.307 -1.941 1.554 1.00 0.32 C ATOM 320 CD1 ILE A 24 0.201 -4.778 2.357 1.00 0.27 C ATOM 0 H ILE A 24 -3.188 -3.598 -0.046 1.00 0.25 H new ATOM 0 HA ILE A 24 -1.989 -2.919 2.568 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.725 -2.619 -0.185 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -0.902 -5.009 0.542 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.740 -4.438 0.318 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.295 -2.038 1.104 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.047 -0.917 1.436 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.366 -2.184 2.615 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.557 -5.808 2.340 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.981 -4.131 2.759 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -0.686 -4.711 2.986 1.00 0.27 H new ATOM 332 N GLN A 25 -3.281 -0.771 2.111 1.00 0.21 N ATOM 333 CA GLN A 25 -3.977 0.474 1.858 1.00 0.22 C ATOM 334 C GLN A 25 -3.251 1.636 2.492 1.00 0.20 C ATOM 335 O GLN A 25 -2.691 1.522 3.580 1.00 0.23 O ATOM 336 CB GLN A 25 -5.400 0.383 2.398 1.00 0.27 C ATOM 337 CG GLN A 25 -6.136 1.706 2.463 1.00 0.29 C ATOM 338 CD GLN A 25 -6.297 2.229 3.883 1.00 0.36 C ATOM 339 OE1 GLN A 25 -7.290 1.940 4.546 1.00 0.64 O ATOM 340 NE2 GLN A 25 -5.322 2.988 4.359 1.00 0.30 N ATOM 0 H GLN A 25 -3.339 -1.100 3.075 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.009 0.644 0.782 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -5.969 -0.304 1.772 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.368 -0.050 3.398 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.598 2.444 1.869 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.121 1.590 2.011 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -4.514 3.205 3.776 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -5.379 3.356 5.309 1.00 0.30 H new ATOM 349 N LEU A 26 -3.263 2.757 1.812 1.00 0.19 N ATOM 350 CA LEU A 26 -2.735 3.958 2.382 1.00 0.18 C ATOM 351 C LEU A 26 -3.739 5.084 2.276 1.00 0.22 C ATOM 352 O LEU A 26 -4.460 5.191 1.301 1.00 0.31 O ATOM 353 CB LEU A 26 -1.409 4.307 1.743 1.00 0.22 C ATOM 354 CG LEU A 26 -0.259 3.512 2.336 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.750 3.151 1.271 1.00 0.77 C ATOM 356 CD2 LEU A 26 0.388 4.284 3.467 1.00 0.85 C ATOM 0 H LEU A 26 -3.633 2.856 0.867 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.549 3.796 3.444 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.464 4.119 0.671 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.216 5.372 1.870 1.00 0.22 H new ATOM 0 HG LEU A 26 -0.655 2.582 2.744 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.564 2.582 1.719 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.267 2.549 0.502 1.00 0.77 H new ATOM 0 HD13 LEU A 26 1.147 4.062 0.823 1.00 0.77 H new ATOM 0 HD21 LEU A 26 1.210 3.701 3.882 1.00 0.85 H new ATOM 0 HD22 LEU A 26 0.770 5.232 3.089 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.350 4.475 4.246 1.00 0.85 H new ATOM 368 N PRO A 27 -3.815 5.924 3.302 1.00 0.21 N ATOM 369 CA PRO A 27 -4.802 7.000 3.371 1.00 0.25 C ATOM 370 C PRO A 27 -4.412 8.174 2.496 1.00 0.26 C ATOM 371 O PRO A 27 -5.065 9.215 2.518 1.00 0.35 O ATOM 372 CB PRO A 27 -4.762 7.407 4.838 1.00 0.27 C ATOM 373 CG PRO A 27 -3.366 7.110 5.263 1.00 0.25 C ATOM 374 CD PRO A 27 -2.932 5.907 4.475 1.00 0.22 C ATOM 0 HA PRO A 27 -5.786 6.686 3.023 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -5.000 8.463 4.965 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.486 6.844 5.427 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.711 7.959 5.068 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.320 6.911 6.334 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.883 5.973 4.188 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -3.047 4.988 5.050 1.00 0.22 H new ATOM 382 N SER A 28 -3.339 7.980 1.736 1.00 0.22 N ATOM 383 CA SER A 28 -2.715 9.030 0.945 1.00 0.25 C ATOM 384 C SER A 28 -2.068 10.058 1.858 1.00 0.25 C ATOM 385 O SER A 28 -0.857 10.277 1.798 1.00 0.31 O ATOM 386 CB SER A 28 -3.720 9.706 0.003 1.00 0.35 C ATOM 387 OG SER A 28 -3.056 10.530 -0.935 1.00 0.91 O ATOM 0 H SER A 28 -2.874 7.076 1.652 1.00 0.22 H new ATOM 0 HA SER A 28 -1.946 8.568 0.325 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.301 8.947 -0.521 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.424 10.303 0.583 1.00 0.35 H new ATOM 0 HG SER A 28 -2.649 9.972 -1.631 1.00 0.91 H new ATOM 393 N ASN A 29 -2.864 10.612 2.752 1.00 0.29 N ATOM 394 CA ASN A 29 -2.442 11.725 3.589 1.00 0.36 C ATOM 395 C ASN A 29 -1.944 12.827 2.662 1.00 0.42 C ATOM 396 O ASN A 29 -0.798 13.265 2.773 1.00 0.48 O ATOM 397 CB ASN A 29 -1.317 11.322 4.566 1.00 0.42 C ATOM 398 CG ASN A 29 -1.416 9.906 5.107 1.00 0.60 C ATOM 399 OD1 ASN A 29 -2.111 9.653 6.087 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.666 8.984 4.511 1.00 0.39 N ATOM 0 H ASN A 29 -3.822 10.305 2.921 1.00 0.29 H new ATOM 0 HA ASN A 29 -3.285 12.058 4.195 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.358 11.436 4.060 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -1.319 12.017 5.406 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.655 8.028 4.866 1.00 0.39 H new ATOM 0 HD22 ASN A 29 -0.102 9.233 3.699 1.00 0.39 H new ATOM 407 N PRO A 30 -2.819 13.286 1.740 1.00 0.55 N ATOM 408 CA PRO A 30 -2.411 14.030 0.539 1.00 0.66 C ATOM 409 C PRO A 30 -1.544 15.234 0.850 1.00 0.72 C ATOM 410 O PRO A 30 -2.001 16.251 1.383 1.00 0.82 O ATOM 411 CB PRO A 30 -3.743 14.440 -0.095 1.00 0.83 C ATOM 412 CG PRO A 30 -4.704 13.422 0.407 1.00 0.82 C ATOM 413 CD PRO A 30 -4.285 13.162 1.816 1.00 0.75 C ATOM 0 HA PRO A 30 -1.787 13.427 -0.120 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -4.035 15.447 0.204 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -3.686 14.434 -1.184 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.729 13.789 0.361 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.664 12.512 -0.192 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.718 13.884 2.508 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.592 12.172 2.155 1.00 0.75 H new ATOM 421 N THR A 31 -0.282 15.093 0.512 1.00 0.73 N ATOM 422 CA THR A 31 0.715 16.086 0.797 1.00 0.84 C ATOM 423 C THR A 31 1.556 16.356 -0.450 1.00 1.10 C ATOM 424 O THR A 31 2.390 15.539 -0.846 1.00 1.83 O ATOM 425 CB THR A 31 1.593 15.625 1.987 1.00 0.96 C ATOM 426 OG1 THR A 31 2.689 16.524 2.192 1.00 1.60 O ATOM 427 CG2 THR A 31 2.110 14.205 1.783 1.00 0.81 C ATOM 0 H THR A 31 0.080 14.273 0.025 1.00 0.73 H new ATOM 0 HA THR A 31 0.229 17.020 1.080 1.00 0.84 H new ATOM 0 HB THR A 31 0.963 15.632 2.876 1.00 0.96 H new ATOM 0 HG1 THR A 31 3.229 16.214 2.949 1.00 1.60 H new ATOM 0 HG21 THR A 31 2.722 13.914 2.637 1.00 0.81 H new ATOM 0 HG22 THR A 31 1.267 13.520 1.691 1.00 0.81 H new ATOM 0 HG23 THR A 31 2.711 14.164 0.875 1.00 0.81 H new ATOM 435 N THR A 32 1.289 17.497 -1.090 1.00 1.19 N ATOM 436 CA THR A 32 2.018 17.905 -2.288 1.00 1.43 C ATOM 437 C THR A 32 1.602 17.024 -3.488 1.00 1.47 C ATOM 438 O THR A 32 0.701 16.195 -3.348 1.00 2.05 O ATOM 439 CB THR A 32 3.544 17.852 -2.015 1.00 1.62 C ATOM 440 OG1 THR A 32 3.808 18.378 -0.701 1.00 2.36 O ATOM 441 CG2 THR A 32 4.346 18.663 -3.021 1.00 1.32 C ATOM 0 H THR A 32 0.569 18.156 -0.795 1.00 1.19 H new ATOM 0 HA THR A 32 1.767 18.934 -2.544 1.00 1.43 H new ATOM 0 HB THR A 32 3.849 16.809 -2.099 1.00 1.62 H new ATOM 0 HG1 THR A 32 4.771 18.345 -0.523 1.00 2.36 H new ATOM 0 HG21 THR A 32 5.407 18.591 -2.783 1.00 1.32 H new ATOM 0 HG22 THR A 32 4.172 18.273 -4.024 1.00 1.32 H new ATOM 0 HG23 THR A 32 4.035 19.707 -2.978 1.00 1.32 H new ATOM 449 N GLY A 33 2.210 17.215 -4.658 1.00 1.30 N ATOM 450 CA GLY A 33 1.827 16.455 -5.846 1.00 1.26 C ATOM 451 C GLY A 33 2.021 14.953 -5.718 1.00 1.01 C ATOM 452 O GLY A 33 1.496 14.183 -6.523 1.00 1.27 O ATOM 0 H GLY A 33 2.965 17.885 -4.808 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.779 16.656 -6.069 1.00 1.26 H new ATOM 0 HA3 GLY A 33 2.409 16.813 -6.695 1.00 1.26 H new ATOM 456 N PHE A 34 2.791 14.539 -4.728 1.00 0.86 N ATOM 457 CA PHE A 34 3.086 13.133 -4.513 1.00 0.88 C ATOM 458 C PHE A 34 1.830 12.309 -4.207 1.00 0.79 C ATOM 459 O PHE A 34 0.826 12.833 -3.724 1.00 1.11 O ATOM 460 CB PHE A 34 4.081 12.984 -3.366 1.00 1.25 C ATOM 461 CG PHE A 34 5.084 14.097 -3.267 1.00 1.50 C ATOM 462 CD1 PHE A 34 5.761 14.546 -4.386 1.00 1.69 C ATOM 463 CD2 PHE A 34 5.334 14.702 -2.049 1.00 1.95 C ATOM 464 CE1 PHE A 34 6.670 15.574 -4.295 1.00 1.94 C ATOM 465 CE2 PHE A 34 6.244 15.733 -1.949 1.00 2.22 C ATOM 466 CZ PHE A 34 6.914 16.169 -3.074 1.00 2.08 C ATOM 0 H PHE A 34 3.228 15.165 -4.052 1.00 0.86 H new ATOM 0 HA PHE A 34 3.513 12.749 -5.440 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.529 12.924 -2.428 1.00 1.25 H new ATOM 0 HB3 PHE A 34 4.614 12.040 -3.483 1.00 1.25 H new ATOM 0 HD1 PHE A 34 5.574 14.083 -5.344 1.00 1.69 H new ATOM 0 HD2 PHE A 34 4.811 14.363 -1.167 1.00 1.95 H new ATOM 0 HE1 PHE A 34 7.192 15.915 -5.177 1.00 1.94 H new ATOM 0 HE2 PHE A 34 6.432 16.198 -0.993 1.00 2.22 H new ATOM 0 HZ PHE A 34 7.629 16.975 -2.999 1.00 2.08 H new ATOM 476 N ALA A 35 1.919 11.015 -4.499 1.00 0.44 N ATOM 477 CA ALA A 35 0.874 10.048 -4.183 1.00 0.37 C ATOM 478 C ALA A 35 1.521 8.688 -3.930 1.00 0.30 C ATOM 479 O ALA A 35 2.664 8.463 -4.348 1.00 0.30 O ATOM 480 CB ALA A 35 -0.115 9.946 -5.332 1.00 0.44 C ATOM 0 H ALA A 35 2.727 10.604 -4.967 1.00 0.44 H new ATOM 0 HA ALA A 35 0.335 10.373 -3.293 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -0.889 9.221 -5.082 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.573 10.920 -5.506 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.406 9.624 -6.233 1.00 0.44 H new ATOM 486 N TRP A 36 0.816 7.780 -3.250 1.00 0.26 N ATOM 487 CA TRP A 36 1.407 6.487 -2.913 1.00 0.21 C ATOM 488 C TRP A 36 1.385 5.536 -4.101 1.00 0.27 C ATOM 489 O TRP A 36 0.328 5.169 -4.615 1.00 0.43 O ATOM 490 CB TRP A 36 0.716 5.791 -1.732 1.00 0.20 C ATOM 491 CG TRP A 36 0.780 6.511 -0.426 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.178 7.303 0.130 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.857 6.467 0.512 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.233 7.745 1.362 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.480 7.247 1.619 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.101 5.841 0.520 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.301 7.412 2.729 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.920 6.008 1.615 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.517 6.784 2.713 1.00 0.14 C ATOM 0 H TRP A 36 -0.143 7.913 -2.929 1.00 0.26 H new ATOM 0 HA TRP A 36 2.434 6.715 -2.627 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.332 5.636 -1.989 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.162 4.805 -1.604 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.123 7.548 -0.331 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.305 8.347 1.985 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.418 5.236 -0.317 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 1.991 8.013 3.571 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.890 5.533 1.629 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.178 6.887 3.561 1.00 0.14 H new ATOM 510 N TYR A 37 2.571 5.154 -4.533 1.00 0.27 N ATOM 511 CA TYR A 37 2.747 4.072 -5.484 1.00 0.34 C ATOM 512 C TYR A 37 3.707 3.075 -4.882 1.00 0.39 C ATOM 513 O TYR A 37 4.110 3.246 -3.748 1.00 0.78 O ATOM 514 CB TYR A 37 3.322 4.579 -6.802 1.00 0.53 C ATOM 515 CG TYR A 37 2.335 5.312 -7.667 1.00 0.61 C ATOM 516 CD1 TYR A 37 2.141 6.674 -7.506 1.00 0.90 C ATOM 517 CD2 TYR A 37 1.589 4.644 -8.628 1.00 1.42 C ATOM 518 CE1 TYR A 37 1.223 7.357 -8.281 1.00 1.47 C ATOM 519 CE2 TYR A 37 0.673 5.316 -9.409 1.00 2.10 C ATOM 520 CZ TYR A 37 0.534 6.655 -9.295 1.00 2.04 C ATOM 521 OH TYR A 37 -0.433 7.345 -9.996 1.00 2.78 O ATOM 0 H TYR A 37 3.444 5.587 -4.233 1.00 0.27 H new ATOM 0 HA TYR A 37 1.778 3.618 -5.690 1.00 0.34 H new ATOM 0 HB2 TYR A 37 4.161 5.241 -6.588 1.00 0.53 H new ATOM 0 HB3 TYR A 37 3.719 3.732 -7.362 1.00 0.53 H new ATOM 0 HD1 TYR A 37 2.715 7.210 -6.764 1.00 0.90 H new ATOM 0 HD2 TYR A 37 1.728 3.582 -8.766 1.00 1.42 H new ATOM 0 HE1 TYR A 37 1.036 8.408 -8.115 1.00 1.47 H new ATOM 0 HE2 TYR A 37 0.064 4.770 -10.115 1.00 2.10 H new ATOM 0 HH TYR A 37 -0.835 6.754 -10.667 1.00 2.78 H new ATOM 531 N PHE A 38 4.065 2.036 -5.607 1.00 0.26 N ATOM 532 CA PHE A 38 5.193 1.222 -5.193 1.00 0.25 C ATOM 533 C PHE A 38 6.480 1.976 -5.470 1.00 0.32 C ATOM 534 O PHE A 38 7.069 2.567 -4.573 1.00 0.38 O ATOM 535 CB PHE A 38 5.230 -0.104 -5.931 1.00 0.27 C ATOM 536 CG PHE A 38 4.780 -1.279 -5.109 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.633 -1.866 -4.187 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.504 -1.800 -5.260 1.00 0.33 C ATOM 539 CE1 PHE A 38 5.222 -2.951 -3.433 1.00 0.41 C ATOM 540 CE2 PHE A 38 3.089 -2.884 -4.512 1.00 0.41 C ATOM 541 CZ PHE A 38 3.946 -3.444 -3.577 1.00 0.43 C ATOM 0 H PHE A 38 3.605 1.738 -6.467 1.00 0.26 H new ATOM 0 HA PHE A 38 5.086 1.016 -4.128 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.599 -0.032 -6.817 1.00 0.27 H new ATOM 0 HB3 PHE A 38 6.247 -0.286 -6.278 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.630 -1.472 -4.056 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.826 -1.352 -5.972 1.00 0.33 H new ATOM 0 HE1 PHE A 38 5.903 -3.411 -2.732 1.00 0.41 H new ATOM 0 HE2 PHE A 38 2.100 -3.294 -4.655 1.00 0.41 H new ATOM 0 HZ PHE A 38 3.612 -4.267 -2.962 1.00 0.43 H new ATOM 551 N GLU A 39 6.885 1.978 -6.733 1.00 0.40 N ATOM 552 CA GLU A 39 8.090 2.681 -7.148 1.00 0.51 C ATOM 553 C GLU A 39 7.739 3.837 -8.078 1.00 0.51 C ATOM 554 O GLU A 39 8.614 4.443 -8.695 1.00 0.61 O ATOM 555 CB GLU A 39 9.046 1.716 -7.843 1.00 0.61 C ATOM 556 CG GLU A 39 9.491 0.562 -6.961 1.00 1.11 C ATOM 557 CD GLU A 39 10.250 1.023 -5.732 1.00 1.75 C ATOM 558 OE1 GLU A 39 11.457 1.320 -5.855 1.00 2.39 O ATOM 559 OE2 GLU A 39 9.651 1.082 -4.640 1.00 2.19 O ATOM 0 H GLU A 39 6.395 1.499 -7.489 1.00 0.40 H new ATOM 0 HA GLU A 39 8.580 3.086 -6.263 1.00 0.51 H new ATOM 0 HB2 GLU A 39 8.562 1.316 -8.734 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.925 2.266 -8.178 1.00 0.61 H new ATOM 0 HG2 GLU A 39 8.617 -0.010 -6.650 1.00 1.11 H new ATOM 0 HG3 GLU A 39 10.122 -0.111 -7.541 1.00 1.11 H new ATOM 566 N GLY A 40 6.452 4.140 -8.172 1.00 0.51 N ATOM 567 CA GLY A 40 6.007 5.233 -9.014 1.00 0.55 C ATOM 568 C GLY A 40 5.551 4.761 -10.375 1.00 0.56 C ATOM 569 O GLY A 40 6.367 4.387 -11.215 1.00 0.73 O ATOM 0 H GLY A 40 5.707 3.648 -7.680 1.00 0.51 H new ATOM 0 HA2 GLY A 40 5.189 5.758 -8.521 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.819 5.950 -9.134 1.00 0.55 H new ATOM 573 N GLY A 41 4.242 4.764 -10.589 1.00 0.55 N ATOM 574 CA GLY A 41 3.690 4.278 -11.843 1.00 0.70 C ATOM 575 C GLY A 41 3.693 2.761 -11.928 1.00 0.61 C ATOM 576 O GLY A 41 3.194 2.183 -12.891 1.00 0.70 O ATOM 0 H GLY A 41 3.550 5.094 -9.917 1.00 0.55 H new ATOM 0 HA2 GLY A 41 2.669 4.643 -11.953 1.00 0.70 H new ATOM 0 HA3 GLY A 41 4.266 4.687 -12.673 1.00 0.70 H new ATOM 580 N THR A 42 4.248 2.123 -10.910 1.00 0.53 N ATOM 581 CA THR A 42 4.349 0.675 -10.864 1.00 0.51 C ATOM 582 C THR A 42 3.812 0.115 -9.570 1.00 0.43 C ATOM 583 O THR A 42 3.934 0.740 -8.511 1.00 0.44 O ATOM 584 CB THR A 42 5.798 0.195 -10.982 1.00 0.67 C ATOM 585 OG1 THR A 42 6.688 1.173 -10.419 1.00 1.13 O ATOM 586 CG2 THR A 42 6.173 -0.094 -12.423 1.00 0.92 C ATOM 0 H THR A 42 4.640 2.594 -10.095 1.00 0.53 H new ATOM 0 HA THR A 42 3.760 0.322 -11.711 1.00 0.51 H new ATOM 0 HB THR A 42 5.891 -0.737 -10.424 1.00 0.67 H new ATOM 0 HG1 THR A 42 7.593 1.030 -10.767 1.00 1.13 H new ATOM 0 HG21 THR A 42 7.208 -0.432 -12.469 1.00 0.92 H new ATOM 0 HG22 THR A 42 5.519 -0.871 -12.820 1.00 0.92 H new ATOM 0 HG23 THR A 42 6.061 0.813 -13.017 1.00 0.92 H new ATOM 594 N LYS A 43 3.166 -1.029 -9.676 1.00 0.49 N ATOM 595 CA LYS A 43 2.881 -1.847 -8.522 1.00 0.46 C ATOM 596 C LYS A 43 3.051 -3.326 -8.859 1.00 0.55 C ATOM 597 O LYS A 43 2.602 -3.796 -9.907 1.00 0.75 O ATOM 598 CB LYS A 43 1.492 -1.552 -7.952 1.00 0.58 C ATOM 599 CG LYS A 43 0.381 -1.321 -8.975 1.00 1.15 C ATOM 600 CD LYS A 43 -0.018 -2.596 -9.704 1.00 1.41 C ATOM 601 CE LYS A 43 -1.126 -2.343 -10.711 1.00 1.96 C ATOM 602 NZ LYS A 43 -1.348 -3.516 -11.596 1.00 2.52 N ATOM 0 H LYS A 43 2.828 -1.412 -10.559 1.00 0.49 H new ATOM 0 HA LYS A 43 3.601 -1.595 -7.743 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.200 -2.384 -7.311 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.562 -0.669 -7.317 1.00 0.58 H new ATOM 0 HG2 LYS A 43 -0.492 -0.907 -8.470 1.00 1.15 H new ATOM 0 HG3 LYS A 43 0.710 -0.579 -9.702 1.00 1.15 H new ATOM 0 HD2 LYS A 43 0.851 -3.010 -10.215 1.00 1.41 H new ATOM 0 HD3 LYS A 43 -0.347 -3.341 -8.980 1.00 1.41 H new ATOM 0 HE2 LYS A 43 -2.050 -2.107 -10.183 1.00 1.96 H new ATOM 0 HE3 LYS A 43 -0.874 -1.473 -11.317 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -2.112 -3.303 -12.269 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -0.474 -3.726 -12.119 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -1.614 -4.340 -11.020 1.00 2.52 H new ATOM 616 N GLU A 44 3.745 -4.049 -7.998 1.00 0.48 N ATOM 617 CA GLU A 44 3.916 -5.481 -8.176 1.00 0.60 C ATOM 618 C GLU A 44 3.667 -6.230 -6.872 1.00 0.49 C ATOM 619 O GLU A 44 3.810 -5.678 -5.782 1.00 0.54 O ATOM 620 CB GLU A 44 5.317 -5.811 -8.714 1.00 0.83 C ATOM 621 CG GLU A 44 6.467 -5.289 -7.865 1.00 0.92 C ATOM 622 CD GLU A 44 6.846 -3.859 -8.192 1.00 1.48 C ATOM 623 OE1 GLU A 44 7.655 -3.647 -9.116 1.00 1.80 O ATOM 624 OE2 GLU A 44 6.317 -2.935 -7.534 1.00 2.30 O ATOM 0 H GLU A 44 4.200 -3.668 -7.168 1.00 0.48 H new ATOM 0 HA GLU A 44 3.179 -5.807 -8.910 1.00 0.60 H new ATOM 0 HB2 GLU A 44 5.411 -6.893 -8.802 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.411 -5.400 -9.719 1.00 0.83 H new ATOM 0 HG2 GLU A 44 6.192 -5.354 -6.812 1.00 0.92 H new ATOM 0 HG3 GLU A 44 7.336 -5.931 -8.008 1.00 0.92 H new ATOM 631 N SER A 45 3.272 -7.483 -6.999 1.00 0.61 N ATOM 632 CA SER A 45 3.080 -8.353 -5.853 1.00 0.55 C ATOM 633 C SER A 45 4.249 -9.335 -5.784 1.00 0.80 C ATOM 634 O SER A 45 4.615 -9.943 -6.790 1.00 1.15 O ATOM 635 CB SER A 45 1.756 -9.114 -5.985 1.00 0.83 C ATOM 636 OG SER A 45 1.574 -10.022 -4.908 1.00 1.61 O ATOM 0 H SER A 45 3.076 -7.926 -7.897 1.00 0.61 H new ATOM 0 HA SER A 45 3.043 -7.759 -4.940 1.00 0.55 H new ATOM 0 HB2 SER A 45 0.928 -8.406 -6.010 1.00 0.83 H new ATOM 0 HB3 SER A 45 1.739 -9.658 -6.929 1.00 0.83 H new ATOM 0 HG SER A 45 0.807 -10.603 -5.096 1.00 1.61 H new ATOM 642 N PRO A 46 4.862 -9.477 -4.592 1.00 0.85 N ATOM 643 CA PRO A 46 6.025 -10.357 -4.375 1.00 1.17 C ATOM 644 C PRO A 46 5.805 -11.783 -4.876 1.00 1.12 C ATOM 645 O PRO A 46 6.757 -12.485 -5.201 1.00 1.88 O ATOM 646 CB PRO A 46 6.192 -10.344 -2.854 1.00 1.50 C ATOM 647 CG PRO A 46 5.625 -9.038 -2.426 1.00 1.39 C ATOM 648 CD PRO A 46 4.481 -8.763 -3.362 1.00 0.92 C ATOM 0 HA PRO A 46 6.899 -10.009 -4.925 1.00 1.17 H new ATOM 0 HB2 PRO A 46 5.664 -11.177 -2.390 1.00 1.50 H new ATOM 0 HB3 PRO A 46 7.240 -10.433 -2.569 1.00 1.50 H new ATOM 0 HG2 PRO A 46 5.283 -9.080 -1.392 1.00 1.39 H new ATOM 0 HG3 PRO A 46 6.375 -8.249 -2.482 1.00 1.39 H new ATOM 0 HD2 PRO A 46 3.537 -9.131 -2.961 1.00 0.92 H new ATOM 0 HD3 PRO A 46 4.357 -7.695 -3.540 1.00 0.92 H new ATOM 656 N ASN A 47 4.545 -12.198 -4.930 1.00 1.01 N ATOM 657 CA ASN A 47 4.175 -13.502 -5.470 1.00 1.08 C ATOM 658 C ASN A 47 2.906 -13.379 -6.301 1.00 0.97 C ATOM 659 O ASN A 47 1.809 -13.641 -5.815 1.00 1.25 O ATOM 660 CB ASN A 47 3.973 -14.534 -4.352 1.00 1.23 C ATOM 661 CG ASN A 47 5.264 -15.218 -3.937 1.00 1.53 C ATOM 662 OD1 ASN A 47 6.161 -15.434 -4.754 1.00 2.43 O ATOM 663 ND2 ASN A 47 5.364 -15.575 -2.665 1.00 1.23 N ATOM 0 H ASN A 47 3.754 -11.644 -4.603 1.00 1.01 H new ATOM 0 HA ASN A 47 4.991 -13.849 -6.104 1.00 1.08 H new ATOM 0 HB2 ASN A 47 3.534 -14.041 -3.485 1.00 1.23 H new ATOM 0 HB3 ASN A 47 3.259 -15.288 -4.685 1.00 1.23 H new ATOM 0 HD21 ASN A 47 6.205 -16.046 -2.332 1.00 1.23 H new ATOM 0 HD22 ASN A 47 4.600 -15.379 -2.019 1.00 1.23 H new ATOM 670 N GLU A 48 3.057 -12.951 -7.545 1.00 0.86 N ATOM 671 CA GLU A 48 1.919 -12.791 -8.437 1.00 0.93 C ATOM 672 C GLU A 48 2.040 -13.720 -9.646 1.00 0.93 C ATOM 673 O GLU A 48 2.056 -13.282 -10.798 1.00 1.53 O ATOM 674 CB GLU A 48 1.776 -11.326 -8.871 1.00 1.24 C ATOM 675 CG GLU A 48 2.995 -10.760 -9.582 1.00 1.89 C ATOM 676 CD GLU A 48 2.739 -9.389 -10.171 1.00 2.65 C ATOM 677 OE1 GLU A 48 2.138 -9.313 -11.263 1.00 2.99 O ATOM 678 OE2 GLU A 48 3.149 -8.384 -9.555 1.00 3.26 O ATOM 0 H GLU A 48 3.957 -12.708 -7.960 1.00 0.86 H new ATOM 0 HA GLU A 48 1.015 -13.070 -7.896 1.00 0.93 H new ATOM 0 HB2 GLU A 48 0.912 -11.238 -9.530 1.00 1.24 H new ATOM 0 HB3 GLU A 48 1.569 -10.717 -7.991 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.826 -10.700 -8.879 1.00 1.89 H new ATOM 0 HG3 GLU A 48 3.297 -11.442 -10.376 1.00 1.89 H new ATOM 685 N SER A 49 2.125 -15.010 -9.368 1.00 0.94 N ATOM 686 CA SER A 49 2.227 -16.015 -10.411 1.00 1.13 C ATOM 687 C SER A 49 0.853 -16.339 -11.006 1.00 1.05 C ATOM 688 O SER A 49 0.621 -16.146 -12.200 1.00 1.48 O ATOM 689 CB SER A 49 2.884 -17.270 -9.836 1.00 1.39 C ATOM 690 OG SER A 49 2.457 -17.490 -8.501 1.00 2.06 O ATOM 0 H SER A 49 2.125 -15.387 -8.420 1.00 0.94 H new ATOM 0 HA SER A 49 2.843 -15.625 -11.221 1.00 1.13 H new ATOM 0 HB2 SER A 49 2.632 -18.134 -10.451 1.00 1.39 H new ATOM 0 HB3 SER A 49 3.969 -17.165 -9.864 1.00 1.39 H new ATOM 0 HG SER A 49 1.656 -18.055 -8.503 1.00 2.06 H new ATOM 696 N MET A 50 -0.058 -16.814 -10.165 1.00 0.77 N ATOM 697 CA MET A 50 -1.409 -17.152 -10.605 1.00 0.69 C ATOM 698 C MET A 50 -2.397 -16.146 -10.058 1.00 0.60 C ATOM 699 O MET A 50 -3.442 -15.882 -10.650 1.00 0.66 O ATOM 700 CB MET A 50 -1.807 -18.564 -10.171 1.00 0.68 C ATOM 701 CG MET A 50 -1.918 -18.782 -8.661 1.00 0.66 C ATOM 702 SD MET A 50 -0.366 -18.515 -7.784 1.00 1.25 S ATOM 703 CE MET A 50 -0.832 -18.982 -6.122 1.00 1.10 C ATOM 0 H MET A 50 0.113 -16.975 -9.172 1.00 0.77 H new ATOM 0 HA MET A 50 -1.422 -17.122 -11.694 1.00 0.69 H new ATOM 0 HB2 MET A 50 -2.766 -18.809 -10.627 1.00 0.68 H new ATOM 0 HB3 MET A 50 -1.076 -19.267 -10.569 1.00 0.68 H new ATOM 0 HG2 MET A 50 -2.675 -18.109 -8.259 1.00 0.66 H new ATOM 0 HG3 MET A 50 -2.263 -19.799 -8.472 1.00 0.66 H new ATOM 0 HE1 MET A 50 -0.674 -18.139 -5.449 1.00 1.10 H new ATOM 0 HE2 MET A 50 -1.884 -19.267 -6.106 1.00 1.10 H new ATOM 0 HE3 MET A 50 -0.223 -19.825 -5.797 1.00 1.10 H new ATOM 713 N PHE A 51 -2.053 -15.598 -8.911 1.00 0.52 N ATOM 714 CA PHE A 51 -2.842 -14.565 -8.285 1.00 0.44 C ATOM 715 C PHE A 51 -2.132 -13.235 -8.458 1.00 0.51 C ATOM 716 O PHE A 51 -0.959 -13.214 -8.822 1.00 0.74 O ATOM 717 CB PHE A 51 -3.093 -14.930 -6.823 1.00 0.37 C ATOM 718 CG PHE A 51 -4.375 -15.695 -6.647 1.00 0.38 C ATOM 719 CD1 PHE A 51 -4.514 -16.967 -7.173 1.00 0.60 C ATOM 720 CD2 PHE A 51 -5.450 -15.130 -5.981 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.699 -17.659 -7.045 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.636 -15.822 -5.843 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.761 -17.086 -6.378 1.00 0.61 C ATOM 0 H PHE A 51 -1.217 -15.859 -8.388 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.821 -14.475 -8.756 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -2.260 -15.526 -6.450 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -3.128 -14.021 -6.223 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.683 -17.424 -7.691 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -5.359 -14.137 -5.565 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.796 -18.649 -7.467 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -7.465 -15.374 -5.316 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.690 -17.627 -6.275 1.00 0.61 H new ATOM 733 N THR A 52 -2.820 -12.134 -8.228 1.00 0.47 N ATOM 734 CA THR A 52 -2.323 -10.856 -8.705 1.00 0.61 C ATOM 735 C THR A 52 -2.828 -9.679 -7.867 1.00 0.49 C ATOM 736 O THR A 52 -3.731 -9.819 -7.037 1.00 0.75 O ATOM 737 CB THR A 52 -2.704 -10.671 -10.190 1.00 1.10 C ATOM 738 OG1 THR A 52 -2.009 -9.549 -10.757 1.00 1.41 O ATOM 739 CG2 THR A 52 -4.203 -10.484 -10.361 1.00 1.46 C ATOM 0 H THR A 52 -3.706 -12.095 -7.725 1.00 0.47 H new ATOM 0 HA THR A 52 -1.238 -10.866 -8.604 1.00 0.61 H new ATOM 0 HB THR A 52 -2.408 -11.579 -10.716 1.00 1.10 H new ATOM 0 HG1 THR A 52 -2.262 -9.449 -11.698 1.00 1.41 H new ATOM 0 HG21 THR A 52 -4.436 -10.357 -11.418 1.00 1.46 H new ATOM 0 HG22 THR A 52 -4.725 -11.361 -9.978 1.00 1.46 H new ATOM 0 HG23 THR A 52 -4.525 -9.600 -9.810 1.00 1.46 H new ATOM 747 N VAL A 53 -2.214 -8.520 -8.084 1.00 0.46 N ATOM 748 CA VAL A 53 -2.495 -7.336 -7.294 1.00 0.44 C ATOM 749 C VAL A 53 -3.367 -6.340 -8.064 1.00 0.49 C ATOM 750 O VAL A 53 -3.140 -6.056 -9.242 1.00 0.76 O ATOM 751 CB VAL A 53 -1.182 -6.647 -6.833 1.00 0.67 C ATOM 752 CG1 VAL A 53 -0.265 -6.361 -8.014 1.00 1.00 C ATOM 753 CG2 VAL A 53 -1.472 -5.365 -6.064 1.00 1.31 C ATOM 0 H VAL A 53 -1.511 -8.380 -8.810 1.00 0.46 H new ATOM 0 HA VAL A 53 -3.047 -7.663 -6.413 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.670 -7.338 -6.163 1.00 0.67 H new ATOM 0 HG11 VAL A 53 0.646 -5.879 -7.659 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -0.010 -7.297 -8.511 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -0.773 -5.703 -8.718 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.533 -4.906 -5.755 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -2.021 -4.673 -6.703 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -2.070 -5.597 -5.183 1.00 1.31 H new ATOM 763 N GLU A 54 -4.377 -5.839 -7.380 1.00 0.45 N ATOM 764 CA GLU A 54 -5.274 -4.829 -7.909 1.00 0.52 C ATOM 765 C GLU A 54 -4.934 -3.484 -7.293 1.00 0.46 C ATOM 766 O GLU A 54 -4.376 -3.408 -6.200 1.00 0.59 O ATOM 767 CB GLU A 54 -6.715 -5.200 -7.568 1.00 0.71 C ATOM 768 CG GLU A 54 -7.746 -4.177 -8.008 1.00 1.35 C ATOM 769 CD GLU A 54 -9.148 -4.553 -7.593 1.00 1.86 C ATOM 770 OE1 GLU A 54 -9.589 -5.671 -7.935 1.00 2.18 O ATOM 771 OE2 GLU A 54 -9.818 -3.741 -6.922 1.00 2.45 O ATOM 0 H GLU A 54 -4.601 -6.126 -6.427 1.00 0.45 H new ATOM 0 HA GLU A 54 -5.163 -4.771 -8.992 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -6.950 -6.158 -8.032 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -6.796 -5.339 -6.490 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -7.493 -3.205 -7.583 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -7.708 -4.071 -9.092 1.00 1.35 H new ATOM 778 N ASN A 55 -5.275 -2.433 -7.991 1.00 0.49 N ATOM 779 CA ASN A 55 -4.999 -1.091 -7.515 1.00 0.46 C ATOM 780 C ASN A 55 -6.266 -0.261 -7.475 1.00 0.46 C ATOM 781 O ASN A 55 -7.175 -0.448 -8.288 1.00 0.65 O ATOM 782 CB ASN A 55 -3.954 -0.404 -8.390 1.00 0.62 C ATOM 783 CG ASN A 55 -4.381 -0.284 -9.843 1.00 1.21 C ATOM 784 OD1 ASN A 55 -4.180 -1.203 -10.636 1.00 1.84 O ATOM 785 ND2 ASN A 55 -4.948 0.856 -10.211 1.00 1.93 N ATOM 0 H ASN A 55 -5.746 -2.474 -8.895 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.604 -1.175 -6.503 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -3.753 0.591 -7.993 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -3.020 -0.963 -8.337 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -5.234 0.994 -11.180 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -5.098 1.596 -9.525 1.00 1.93 H new ATOM 792 N LYS A 56 -6.331 0.634 -6.501 1.00 0.42 N ATOM 793 CA LYS A 56 -7.465 1.530 -6.340 1.00 0.43 C ATOM 794 C LYS A 56 -7.103 2.662 -5.402 1.00 0.46 C ATOM 795 O LYS A 56 -7.053 2.480 -4.183 1.00 0.53 O ATOM 796 CB LYS A 56 -8.680 0.779 -5.794 1.00 0.55 C ATOM 797 CG LYS A 56 -8.337 -0.505 -5.059 1.00 1.03 C ATOM 798 CD LYS A 56 -8.429 -0.348 -3.554 1.00 0.62 C ATOM 799 CE LYS A 56 -9.792 0.165 -3.103 1.00 1.26 C ATOM 800 NZ LYS A 56 -10.924 -0.533 -3.775 1.00 1.42 N ATOM 0 H LYS A 56 -5.600 0.759 -5.801 1.00 0.42 H new ATOM 0 HA LYS A 56 -7.719 1.937 -7.319 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -9.227 1.437 -5.118 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -9.350 0.544 -6.621 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -9.013 -1.297 -5.381 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -7.328 -0.817 -5.329 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -8.231 -1.309 -3.079 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -7.655 0.341 -3.216 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -9.883 0.040 -2.024 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.858 1.234 -3.307 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -11.812 -0.309 -3.282 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -10.988 -0.218 -4.764 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -10.763 -1.560 -3.748 1.00 1.42 H new ATOM 814 N TYR A 57 -6.858 3.832 -5.958 1.00 0.48 N ATOM 815 CA TYR A 57 -6.428 4.945 -5.146 1.00 0.56 C ATOM 816 C TYR A 57 -7.409 6.099 -5.212 1.00 0.57 C ATOM 817 O TYR A 57 -7.812 6.546 -6.288 1.00 0.71 O ATOM 818 CB TYR A 57 -5.053 5.445 -5.543 1.00 0.69 C ATOM 819 CG TYR A 57 -4.134 4.414 -6.162 1.00 0.54 C ATOM 820 CD1 TYR A 57 -3.464 3.486 -5.373 1.00 0.61 C ATOM 821 CD2 TYR A 57 -3.923 4.384 -7.535 1.00 0.91 C ATOM 822 CE1 TYR A 57 -2.612 2.558 -5.938 1.00 0.98 C ATOM 823 CE2 TYR A 57 -3.071 3.459 -8.104 1.00 1.19 C ATOM 824 CZ TYR A 57 -2.417 2.550 -7.302 1.00 1.19 C ATOM 825 OH TYR A 57 -1.568 1.629 -7.868 1.00 1.66 O ATOM 0 H TYR A 57 -6.948 4.032 -6.954 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.383 4.568 -4.124 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -5.175 6.267 -6.249 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.566 5.855 -4.658 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -3.612 3.491 -4.303 1.00 0.61 H new ATOM 0 HD2 TYR A 57 -4.434 5.096 -8.167 1.00 0.91 H new ATOM 0 HE1 TYR A 57 -2.100 1.841 -5.313 1.00 0.98 H new ATOM 0 HE2 TYR A 57 -2.918 3.448 -9.173 1.00 1.19 H new ATOM 0 HH TYR A 57 -0.968 1.272 -7.181 1.00 1.66 H new ATOM 835 N PHE A 58 -7.796 6.554 -4.041 1.00 0.52 N ATOM 836 CA PHE A 58 -8.632 7.724 -3.882 1.00 0.60 C ATOM 837 C PHE A 58 -8.007 8.596 -2.816 1.00 0.73 C ATOM 838 O PHE A 58 -8.099 8.261 -1.656 1.00 0.80 O ATOM 839 CB PHE A 58 -10.032 7.319 -3.413 1.00 0.67 C ATOM 840 CG PHE A 58 -10.671 6.236 -4.242 1.00 0.96 C ATOM 841 CD1 PHE A 58 -11.428 6.555 -5.360 1.00 1.19 C ATOM 842 CD2 PHE A 58 -10.515 4.903 -3.904 1.00 1.56 C ATOM 843 CE1 PHE A 58 -12.015 5.564 -6.122 1.00 1.65 C ATOM 844 CE2 PHE A 58 -11.099 3.908 -4.663 1.00 2.14 C ATOM 845 CZ PHE A 58 -11.851 4.236 -5.769 1.00 2.08 C ATOM 0 H PHE A 58 -7.535 6.115 -3.158 1.00 0.52 H new ATOM 0 HA PHE A 58 -8.713 8.249 -4.834 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -9.973 6.982 -2.378 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -10.676 8.198 -3.426 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -11.560 7.590 -5.638 1.00 1.19 H new ATOM 0 HD2 PHE A 58 -9.929 4.638 -3.036 1.00 1.56 H new ATOM 0 HE1 PHE A 58 -12.601 5.825 -6.991 1.00 1.65 H new ATOM 0 HE2 PHE A 58 -10.966 2.872 -4.389 1.00 2.14 H new ATOM 0 HZ PHE A 58 -12.312 3.458 -6.360 1.00 2.08 H new ATOM 855 N PRO A 59 -7.347 9.704 -3.153 1.00 0.90 N ATOM 856 CA PRO A 59 -6.663 10.525 -2.156 1.00 1.17 C ATOM 857 C PRO A 59 -7.375 11.830 -1.714 1.00 1.32 C ATOM 858 O PRO A 59 -6.795 12.904 -1.822 1.00 1.92 O ATOM 859 CB PRO A 59 -5.392 10.854 -2.917 1.00 1.46 C ATOM 860 CG PRO A 59 -5.859 11.060 -4.321 1.00 1.30 C ATOM 861 CD PRO A 59 -7.097 10.206 -4.506 1.00 1.01 C ATOM 0 HA PRO A 59 -6.568 10.000 -1.206 1.00 1.17 H new ATOM 0 HB2 PRO A 59 -4.909 11.747 -2.521 1.00 1.46 H new ATOM 0 HB3 PRO A 59 -4.666 10.044 -2.852 1.00 1.46 H new ATOM 0 HG2 PRO A 59 -6.085 12.111 -4.502 1.00 1.30 H new ATOM 0 HG3 PRO A 59 -5.083 10.774 -5.031 1.00 1.30 H new ATOM 0 HD2 PRO A 59 -7.938 10.788 -4.884 1.00 1.01 H new ATOM 0 HD3 PRO A 59 -6.927 9.395 -5.214 1.00 1.01 H new ATOM 869 N PRO A 60 -8.635 11.774 -1.232 1.00 1.14 N ATOM 870 CA PRO A 60 -9.260 12.885 -0.492 1.00 1.27 C ATOM 871 C PRO A 60 -8.557 13.220 0.819 1.00 1.97 C ATOM 872 O PRO A 60 -7.579 12.587 1.217 1.00 2.64 O ATOM 873 CB PRO A 60 -10.659 12.379 -0.218 1.00 1.41 C ATOM 874 CG PRO A 60 -10.898 11.393 -1.286 1.00 1.85 C ATOM 875 CD PRO A 60 -9.595 10.695 -1.446 1.00 1.56 C ATOM 0 HA PRO A 60 -9.218 13.811 -1.066 1.00 1.27 H new ATOM 0 HB2 PRO A 60 -10.732 11.923 0.769 1.00 1.41 H new ATOM 0 HB3 PRO A 60 -11.389 13.188 -0.251 1.00 1.41 H new ATOM 0 HG2 PRO A 60 -11.691 10.696 -1.013 1.00 1.85 H new ATOM 0 HG3 PRO A 60 -11.205 11.878 -2.213 1.00 1.85 H new ATOM 0 HD2 PRO A 60 -9.472 9.892 -0.720 1.00 1.56 H new ATOM 0 HD3 PRO A 60 -9.491 10.249 -2.435 1.00 1.56 H new ATOM 883 N ASP A 61 -9.111 14.207 1.495 1.00 2.53 N ATOM 884 CA ASP A 61 -8.436 14.888 2.595 1.00 3.55 C ATOM 885 C ASP A 61 -9.488 15.471 3.541 1.00 4.33 C ATOM 886 O ASP A 61 -10.275 14.730 4.115 1.00 4.81 O ATOM 887 CB ASP A 61 -7.539 15.989 2.000 1.00 4.18 C ATOM 888 CG ASP A 61 -6.713 16.766 3.007 1.00 5.17 C ATOM 889 OD1 ASP A 61 -5.581 16.353 3.310 1.00 5.80 O ATOM 890 OD2 ASP A 61 -7.180 17.838 3.446 1.00 5.51 O ATOM 0 H ASP A 61 -10.046 14.565 1.300 1.00 2.53 H new ATOM 0 HA ASP A 61 -7.815 14.199 3.167 1.00 3.55 H new ATOM 0 HB2 ASP A 61 -6.864 15.533 1.276 1.00 4.18 H new ATOM 0 HB3 ASP A 61 -8.168 16.691 1.452 1.00 4.18 H new ATOM 895 N SER A 62 -9.511 16.789 3.678 1.00 4.84 N ATOM 896 CA SER A 62 -10.548 17.480 4.426 1.00 5.85 C ATOM 897 C SER A 62 -10.730 18.902 3.896 1.00 6.45 C ATOM 898 O SER A 62 -11.845 19.327 3.603 1.00 6.95 O ATOM 899 CB SER A 62 -10.203 17.525 5.922 1.00 6.81 C ATOM 900 OG SER A 62 -10.189 16.226 6.493 1.00 7.43 O ATOM 0 H SER A 62 -8.810 17.409 3.273 1.00 4.84 H new ATOM 0 HA SER A 62 -11.480 16.929 4.298 1.00 5.85 H new ATOM 0 HB2 SER A 62 -9.228 17.993 6.057 1.00 6.81 H new ATOM 0 HB3 SER A 62 -10.930 18.146 6.445 1.00 6.81 H new ATOM 0 HG SER A 62 -10.361 15.560 5.795 1.00 7.43 H new ATOM 906 N LYS A 63 -9.620 19.615 3.731 1.00 6.69 N ATOM 907 CA LYS A 63 -9.664 21.033 3.374 1.00 7.56 C ATOM 908 C LYS A 63 -9.618 21.266 1.864 1.00 7.34 C ATOM 909 O LYS A 63 -9.592 22.408 1.407 1.00 8.03 O ATOM 910 CB LYS A 63 -8.518 21.789 4.059 1.00 8.44 C ATOM 911 CG LYS A 63 -7.171 21.064 4.067 1.00 8.39 C ATOM 912 CD LYS A 63 -6.611 20.825 2.669 1.00 7.90 C ATOM 913 CE LYS A 63 -5.151 20.384 2.726 1.00 8.47 C ATOM 914 NZ LYS A 63 -4.928 19.282 3.701 1.00 8.71 N ATOM 0 H LYS A 63 -8.679 19.237 3.838 1.00 6.69 H new ATOM 0 HA LYS A 63 -10.621 21.417 3.727 1.00 7.56 H new ATOM 0 HB2 LYS A 63 -8.391 22.751 3.563 1.00 8.44 H new ATOM 0 HB3 LYS A 63 -8.806 21.997 5.089 1.00 8.44 H new ATOM 0 HG2 LYS A 63 -6.454 21.648 4.644 1.00 8.39 H new ATOM 0 HG3 LYS A 63 -7.284 20.106 4.575 1.00 8.39 H new ATOM 0 HD2 LYS A 63 -7.204 20.063 2.162 1.00 7.90 H new ATOM 0 HD3 LYS A 63 -6.695 21.738 2.080 1.00 7.90 H new ATOM 0 HE2 LYS A 63 -4.834 20.058 1.735 1.00 8.47 H new ATOM 0 HE3 LYS A 63 -4.527 21.236 2.996 1.00 8.47 H new ATOM 0 HZ1 LYS A 63 -4.295 18.571 3.282 1.00 8.71 H new ATOM 0 HZ2 LYS A 63 -4.494 19.665 4.565 1.00 8.71 H new ATOM 0 HZ3 LYS A 63 -5.838 18.839 3.938 1.00 8.71 H new ATOM 928 N LEU A 64 -9.603 20.193 1.094 1.00 6.59 N ATOM 929 CA LEU A 64 -9.508 20.308 -0.355 1.00 6.64 C ATOM 930 C LEU A 64 -10.013 19.032 -1.000 1.00 5.83 C ATOM 931 O LEU A 64 -11.088 19.005 -1.598 1.00 6.33 O ATOM 932 CB LEU A 64 -8.052 20.574 -0.766 1.00 6.54 C ATOM 933 CG LEU A 64 -7.817 21.066 -2.210 1.00 7.43 C ATOM 934 CD1 LEU A 64 -7.954 19.937 -3.221 1.00 7.88 C ATOM 935 CD2 LEU A 64 -8.781 22.191 -2.553 1.00 8.10 C ATOM 0 H LEU A 64 -9.655 19.236 1.443 1.00 6.59 H new ATOM 0 HA LEU A 64 -10.122 21.143 -0.692 1.00 6.64 H new ATOM 0 HB2 LEU A 64 -7.636 21.314 -0.083 1.00 6.54 H new ATOM 0 HB3 LEU A 64 -7.485 19.654 -0.624 1.00 6.54 H new ATOM 0 HG LEU A 64 -6.795 21.440 -2.263 1.00 7.43 H new ATOM 0 HD11 LEU A 64 -7.781 20.325 -4.225 1.00 7.88 H new ATOM 0 HD12 LEU A 64 -7.221 19.161 -3.001 1.00 7.88 H new ATOM 0 HD13 LEU A 64 -8.958 19.516 -3.162 1.00 7.88 H new ATOM 0 HD21 LEU A 64 -8.601 22.526 -3.575 1.00 8.10 H new ATOM 0 HD22 LEU A 64 -9.806 21.831 -2.464 1.00 8.10 H new ATOM 0 HD23 LEU A 64 -8.628 23.024 -1.866 1.00 8.10 H new ATOM 947 N LEU A 65 -9.218 17.979 -0.871 1.00 4.74 N ATOM 948 CA LEU A 65 -9.585 16.674 -1.388 1.00 4.07 C ATOM 949 C LEU A 65 -10.858 16.200 -0.722 1.00 3.22 C ATOM 950 O LEU A 65 -11.776 15.702 -1.365 1.00 3.56 O ATOM 951 CB LEU A 65 -8.442 15.683 -1.180 1.00 4.05 C ATOM 952 CG LEU A 65 -7.234 15.801 -2.114 1.00 4.01 C ATOM 953 CD1 LEU A 65 -7.680 15.747 -3.559 1.00 4.35 C ATOM 954 CD2 LEU A 65 -6.432 17.062 -1.829 1.00 4.56 C ATOM 0 H LEU A 65 -8.309 18.007 -0.409 1.00 4.74 H new ATOM 0 HA LEU A 65 -9.769 16.746 -2.460 1.00 4.07 H new ATOM 0 HB2 LEU A 65 -8.087 15.787 -0.155 1.00 4.05 H new ATOM 0 HB3 LEU A 65 -8.847 14.676 -1.277 1.00 4.05 H new ATOM 0 HG LEU A 65 -6.575 14.953 -1.927 1.00 4.01 H new ATOM 0 HD11 LEU A 65 -6.811 15.832 -4.211 1.00 4.35 H new ATOM 0 HD12 LEU A 65 -8.185 14.800 -3.749 1.00 4.35 H new ATOM 0 HD13 LEU A 65 -8.366 16.570 -3.759 1.00 4.35 H new ATOM 0 HD21 LEU A 65 -5.582 17.114 -2.510 1.00 4.56 H new ATOM 0 HD22 LEU A 65 -7.066 17.937 -1.973 1.00 4.56 H new ATOM 0 HD23 LEU A 65 -6.072 17.040 -0.800 1.00 4.56 H new ATOM 966 N GLY A 66 -10.883 16.343 0.574 1.00 2.53 N ATOM 967 CA GLY A 66 -12.133 16.374 1.286 1.00 2.28 C ATOM 968 C GLY A 66 -12.695 15.040 1.738 1.00 2.48 C ATOM 969 O GLY A 66 -12.825 14.809 2.934 1.00 3.02 O ATOM 0 H GLY A 66 -10.054 16.440 1.160 1.00 2.53 H new ATOM 0 HA2 GLY A 66 -12.008 17.005 2.166 1.00 2.28 H new ATOM 0 HA3 GLY A 66 -12.875 16.857 0.650 1.00 2.28 H new ATOM 973 N ALA A 67 -13.046 14.180 0.787 1.00 2.66 N ATOM 974 CA ALA A 67 -13.837 12.968 1.085 1.00 3.24 C ATOM 975 C ALA A 67 -13.221 12.096 2.195 1.00 3.13 C ATOM 976 O ALA A 67 -13.618 12.172 3.355 1.00 3.73 O ATOM 977 CB ALA A 67 -14.045 12.147 -0.182 1.00 4.02 C ATOM 0 H ALA A 67 -12.801 14.290 -0.197 1.00 2.66 H new ATOM 0 HA ALA A 67 -14.800 13.311 1.462 1.00 3.24 H new ATOM 0 HB1 ALA A 67 -14.629 11.257 0.053 1.00 4.02 H new ATOM 0 HB2 ALA A 67 -14.577 12.746 -0.921 1.00 4.02 H new ATOM 0 HB3 ALA A 67 -13.077 11.849 -0.586 1.00 4.02 H new ATOM 983 N GLY A 68 -12.279 11.252 1.814 1.00 2.74 N ATOM 984 CA GLY A 68 -11.527 10.449 2.754 1.00 2.84 C ATOM 985 C GLY A 68 -10.375 9.765 2.046 1.00 2.21 C ATOM 986 O GLY A 68 -10.599 8.972 1.135 1.00 2.79 O ATOM 0 H GLY A 68 -12.015 11.106 0.840 1.00 2.74 H new ATOM 0 HA2 GLY A 68 -11.148 11.077 3.560 1.00 2.84 H new ATOM 0 HA3 GLY A 68 -12.178 9.704 3.211 1.00 2.84 H new ATOM 990 N GLY A 69 -9.149 10.102 2.425 1.00 1.49 N ATOM 991 CA GLY A 69 -7.982 9.568 1.736 1.00 1.05 C ATOM 992 C GLY A 69 -7.898 8.061 1.812 1.00 0.84 C ATOM 993 O GLY A 69 -7.930 7.485 2.900 1.00 1.12 O ATOM 0 H GLY A 69 -8.938 10.735 3.196 1.00 1.49 H new ATOM 0 HA2 GLY A 69 -8.011 9.874 0.690 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -7.080 10.000 2.169 1.00 1.05 H new ATOM 997 N THR A 70 -7.783 7.427 0.655 1.00 0.52 N ATOM 998 CA THR A 70 -7.781 5.984 0.558 1.00 0.46 C ATOM 999 C THR A 70 -7.199 5.481 -0.761 1.00 0.39 C ATOM 1000 O THR A 70 -7.925 5.156 -1.699 1.00 0.44 O ATOM 1001 CB THR A 70 -9.193 5.419 0.718 1.00 0.58 C ATOM 1002 OG1 THR A 70 -10.181 6.428 0.477 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.353 4.852 2.105 1.00 0.59 C ATOM 0 H THR A 70 -7.689 7.904 -0.242 1.00 0.52 H new ATOM 0 HA THR A 70 -7.144 5.634 1.370 1.00 0.46 H new ATOM 0 HB THR A 70 -9.338 4.627 -0.017 1.00 0.58 H new ATOM 0 HG1 THR A 70 -10.151 7.093 1.196 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.359 4.449 2.220 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.624 4.057 2.259 1.00 0.59 H new ATOM 0 HG23 THR A 70 -9.192 5.640 2.841 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.890 5.383 -0.807 1.00 0.34 N ATOM 1012 CA GLU A 71 -5.192 4.811 -1.947 1.00 0.34 C ATOM 1013 C GLU A 71 -4.712 3.417 -1.568 1.00 0.31 C ATOM 1014 O GLU A 71 -3.764 3.276 -0.803 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.995 5.687 -2.335 1.00 0.36 C ATOM 1016 CG GLU A 71 -4.348 7.150 -2.542 1.00 0.47 C ATOM 1017 CD GLU A 71 -3.211 7.947 -3.153 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -2.273 8.321 -2.414 1.00 0.53 O ATOM 1019 OE2 GLU A 71 -3.259 8.203 -4.371 1.00 0.81 O ATOM 0 H GLU A 71 -5.274 5.697 -0.057 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.867 4.757 -2.801 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -3.235 5.613 -1.557 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.553 5.296 -3.251 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -5.223 7.220 -3.188 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.622 7.592 -1.584 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.373 2.377 -2.065 1.00 0.31 N ATOM 1027 CA HIS A 72 -5.043 1.036 -1.607 1.00 0.32 C ATOM 1028 C HIS A 72 -4.473 0.174 -2.721 1.00 0.29 C ATOM 1029 O HIS A 72 -4.825 0.310 -3.894 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.219 0.247 -0.997 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.398 0.995 -0.448 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.282 0.403 0.428 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -7.885 2.230 -0.681 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.259 1.239 0.695 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -9.050 2.358 0.033 1.00 0.53 N ATOM 0 H HIS A 72 -6.116 2.432 -2.762 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.307 1.224 -0.825 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.590 -0.433 -1.764 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -5.818 -0.369 -0.192 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.191 -0.539 0.810 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.439 2.982 -1.315 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -10.095 1.041 1.349 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.613 -0.726 -2.299 1.00 0.25 N ATOM 1045 CA PHE A 73 -3.057 -1.775 -3.126 1.00 0.25 C ATOM 1046 C PHE A 73 -3.652 -3.104 -2.684 1.00 0.25 C ATOM 1047 O PHE A 73 -3.427 -3.542 -1.569 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.539 -1.790 -2.941 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.852 -0.589 -3.534 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -0.937 0.650 -2.921 1.00 0.75 C ATOM 1051 CD2 PHE A 73 -0.124 -0.701 -4.711 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.308 1.753 -3.467 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.506 0.398 -5.260 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.421 1.633 -4.619 1.00 1.13 C ATOM 0 H PHE A 73 -3.270 -0.749 -1.339 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.289 -1.606 -4.177 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.311 -1.841 -1.876 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -1.134 -2.693 -3.397 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.501 0.755 -2.006 1.00 0.75 H new ATOM 0 HD2 PHE A 73 -0.050 -1.660 -5.203 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.392 2.714 -2.982 1.00 1.10 H new ATOM 0 HE2 PHE A 73 1.062 0.301 -6.181 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.929 2.493 -5.030 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.422 -3.741 -3.537 1.00 0.25 N ATOM 1065 CA HIS A 74 -5.142 -4.947 -3.141 1.00 0.30 C ATOM 1066 C HIS A 74 -4.478 -6.191 -3.706 1.00 0.31 C ATOM 1067 O HIS A 74 -4.556 -6.445 -4.896 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.595 -4.875 -3.613 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.507 -4.178 -2.654 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.792 -4.597 -2.423 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -7.314 -3.102 -1.852 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -9.353 -3.819 -1.522 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -8.479 -2.902 -1.148 1.00 0.45 N ATOM 0 H HIS A 74 -4.570 -3.453 -4.504 1.00 0.25 H new ATOM 0 HA HIS A 74 -5.120 -5.009 -2.053 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.630 -4.360 -4.573 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.964 -5.887 -3.780 1.00 0.38 H new ATOM 0 HD2 HIS A 74 -6.413 -2.511 -1.779 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -10.362 -3.915 -1.150 1.00 0.47 H new ATOM 0 HE2 HIS A 74 -8.640 -2.171 -0.456 1.00 0.45 H new ATOM 1082 N VAL A 75 -3.854 -6.989 -2.853 1.00 0.25 N ATOM 1083 CA VAL A 75 -3.134 -8.154 -3.326 1.00 0.26 C ATOM 1084 C VAL A 75 -3.947 -9.411 -3.065 1.00 0.25 C ATOM 1085 O VAL A 75 -4.130 -9.836 -1.925 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.741 -8.292 -2.666 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -1.018 -9.528 -3.185 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -0.908 -7.042 -2.903 1.00 0.87 C ATOM 0 H VAL A 75 -3.833 -6.851 -1.843 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.981 -8.024 -4.397 1.00 0.26 H new ATOM 0 HB VAL A 75 -1.883 -8.408 -1.592 1.00 0.33 H new ATOM 0 HG11 VAL A 75 -0.041 -9.605 -2.708 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -1.606 -10.417 -2.955 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -0.889 -9.448 -4.264 1.00 0.71 H new ATOM 0 HG21 VAL A 75 0.067 -7.160 -2.431 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -0.777 -6.890 -3.974 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.417 -6.179 -2.474 1.00 0.87 H new ATOM 1098 N THR A 76 -4.433 -10.001 -4.127 1.00 0.28 N ATOM 1099 CA THR A 76 -5.184 -11.221 -4.020 1.00 0.32 C ATOM 1100 C THR A 76 -4.275 -12.363 -4.413 1.00 0.34 C ATOM 1101 O THR A 76 -3.937 -12.514 -5.583 1.00 0.39 O ATOM 1102 CB THR A 76 -6.425 -11.211 -4.937 1.00 0.40 C ATOM 1103 OG1 THR A 76 -7.181 -10.008 -4.737 1.00 0.46 O ATOM 1104 CG2 THR A 76 -7.314 -12.414 -4.665 1.00 0.45 C ATOM 0 H THR A 76 -4.320 -9.653 -5.079 1.00 0.28 H new ATOM 0 HA THR A 76 -5.537 -11.332 -2.995 1.00 0.32 H new ATOM 0 HB THR A 76 -6.077 -11.257 -5.969 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.965 -10.013 -5.325 1.00 0.46 H new ATOM 0 HG21 THR A 76 -8.181 -12.382 -5.325 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.752 -13.330 -4.848 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.647 -12.393 -3.627 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.828 -13.112 -3.418 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.928 -14.233 -3.640 1.00 0.41 C ATOM 1114 C VAL A 77 -3.126 -15.302 -2.571 1.00 0.45 C ATOM 1115 O VAL A 77 -3.563 -15.000 -1.459 1.00 0.60 O ATOM 1116 CB VAL A 77 -1.449 -13.761 -3.633 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -1.104 -13.071 -2.320 1.00 0.90 C ATOM 1118 CG2 VAL A 77 -0.494 -14.920 -3.890 1.00 1.04 C ATOM 0 H VAL A 77 -4.076 -12.962 -2.440 1.00 0.36 H new ATOM 0 HA VAL A 77 -3.160 -14.658 -4.616 1.00 0.41 H new ATOM 0 HB VAL A 77 -1.332 -13.042 -4.443 1.00 0.53 H new ATOM 0 HG11 VAL A 77 -0.063 -12.750 -2.340 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.749 -12.203 -2.185 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -1.253 -13.766 -1.494 1.00 0.90 H new ATOM 0 HG21 VAL A 77 0.533 -14.555 -3.878 1.00 1.04 H new ATOM 0 HG22 VAL A 77 -0.620 -15.674 -3.113 1.00 1.04 H new ATOM 0 HG23 VAL A 77 -0.711 -15.362 -4.863 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.851 -16.553 -2.921 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.721 -17.594 -1.923 1.00 0.41 C ATOM 1130 C LYS A 78 -1.488 -18.449 -2.236 1.00 0.40 C ATOM 1131 O LYS A 78 -1.471 -19.244 -3.174 1.00 0.42 O ATOM 1132 CB LYS A 78 -4.003 -18.442 -1.788 1.00 0.48 C ATOM 1133 CG LYS A 78 -4.156 -19.598 -2.774 1.00 0.77 C ATOM 1134 CD LYS A 78 -5.051 -19.259 -3.956 1.00 0.61 C ATOM 1135 CE LYS A 78 -6.440 -18.856 -3.489 1.00 1.29 C ATOM 1136 NZ LYS A 78 -7.500 -19.347 -4.408 1.00 1.54 N ATOM 0 H LYS A 78 -2.715 -16.864 -3.883 1.00 0.39 H new ATOM 0 HA LYS A 78 -2.581 -17.125 -0.949 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -4.040 -18.847 -0.777 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.863 -17.782 -1.899 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -3.171 -19.886 -3.142 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.566 -20.462 -2.251 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -4.607 -18.447 -4.532 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -5.122 -20.119 -4.621 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -6.615 -19.252 -2.489 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -6.497 -17.770 -3.417 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -8.425 -18.994 -4.091 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -7.310 -19.004 -5.371 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -7.507 -20.387 -4.406 1.00 1.54 H new ATOM 1150 N ALA A 79 -0.431 -18.223 -1.480 1.00 0.39 N ATOM 1151 CA ALA A 79 0.818 -18.943 -1.663 1.00 0.40 C ATOM 1152 C ALA A 79 1.706 -18.716 -0.462 1.00 0.43 C ATOM 1153 O ALA A 79 1.523 -17.737 0.244 1.00 0.67 O ATOM 1154 CB ALA A 79 1.522 -18.481 -2.933 1.00 0.46 C ATOM 0 H ALA A 79 -0.412 -17.538 -0.724 1.00 0.39 H new ATOM 0 HA ALA A 79 0.605 -20.007 -1.761 1.00 0.40 H new ATOM 0 HB1 ALA A 79 2.455 -19.032 -3.053 1.00 0.46 H new ATOM 0 HB2 ALA A 79 0.879 -18.666 -3.793 1.00 0.46 H new ATOM 0 HB3 ALA A 79 1.736 -17.415 -2.863 1.00 0.46 H new ATOM 1160 N ALA A 80 2.656 -19.604 -0.231 1.00 0.34 N ATOM 1161 CA ALA A 80 3.575 -19.445 0.883 1.00 0.33 C ATOM 1162 C ALA A 80 4.731 -18.537 0.486 1.00 0.34 C ATOM 1163 O ALA A 80 5.715 -18.973 -0.120 1.00 0.44 O ATOM 1164 CB ALA A 80 4.079 -20.794 1.368 1.00 0.37 C ATOM 0 H ALA A 80 2.812 -20.439 -0.796 1.00 0.34 H new ATOM 0 HA ALA A 80 3.040 -18.977 1.710 1.00 0.33 H new ATOM 0 HB1 ALA A 80 4.765 -20.648 2.202 1.00 0.37 H new ATOM 0 HB2 ALA A 80 3.235 -21.402 1.695 1.00 0.37 H new ATOM 0 HB3 ALA A 80 4.599 -21.302 0.556 1.00 0.37 H new ATOM 1170 N GLY A 81 4.586 -17.268 0.812 1.00 0.28 N ATOM 1171 CA GLY A 81 5.571 -16.276 0.459 1.00 0.29 C ATOM 1172 C GLY A 81 5.676 -15.197 1.508 1.00 0.25 C ATOM 1173 O GLY A 81 4.884 -15.149 2.443 1.00 0.26 O ATOM 0 H GLY A 81 3.785 -16.901 1.326 1.00 0.28 H new ATOM 0 HA2 GLY A 81 6.541 -16.756 0.332 1.00 0.29 H new ATOM 0 HA3 GLY A 81 5.309 -15.828 -0.499 1.00 0.29 H new ATOM 1177 N THR A 82 6.680 -14.363 1.398 1.00 0.26 N ATOM 1178 CA THR A 82 6.809 -13.236 2.293 1.00 0.25 C ATOM 1179 C THR A 82 6.478 -11.949 1.536 1.00 0.25 C ATOM 1180 O THR A 82 6.994 -11.708 0.444 1.00 0.30 O ATOM 1181 CB THR A 82 8.221 -13.169 2.899 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.671 -14.497 3.209 1.00 0.40 O ATOM 1183 CG2 THR A 82 8.213 -12.338 4.170 1.00 0.36 C ATOM 0 H THR A 82 7.419 -14.441 0.700 1.00 0.26 H new ATOM 0 HA THR A 82 6.107 -13.356 3.118 1.00 0.25 H new ATOM 0 HB THR A 82 8.891 -12.706 2.175 1.00 0.32 H new ATOM 0 HG1 THR A 82 9.571 -14.456 3.594 1.00 0.40 H new ATOM 0 HG21 THR A 82 9.220 -12.300 4.586 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.877 -11.327 3.941 1.00 0.36 H new ATOM 0 HG23 THR A 82 7.537 -12.790 4.896 1.00 0.36 H new ATOM 1191 N HIS A 83 5.606 -11.126 2.105 1.00 0.24 N ATOM 1192 CA HIS A 83 5.100 -9.962 1.396 1.00 0.25 C ATOM 1193 C HIS A 83 5.767 -8.693 1.917 1.00 0.24 C ATOM 1194 O HIS A 83 5.385 -8.171 2.961 1.00 0.24 O ATOM 1195 CB HIS A 83 3.576 -9.837 1.575 1.00 0.27 C ATOM 1196 CG HIS A 83 2.917 -9.016 0.507 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.000 -7.646 0.467 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.175 -9.374 -0.571 1.00 0.37 C ATOM 1199 CE1 HIS A 83 2.343 -7.188 -0.585 1.00 0.40 C ATOM 1200 NE2 HIS A 83 1.832 -8.218 -1.232 1.00 0.39 N ATOM 0 H HIS A 83 5.238 -11.243 3.049 1.00 0.24 H new ATOM 0 HA HIS A 83 5.329 -10.088 0.338 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.135 -10.834 1.581 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.367 -9.391 2.547 1.00 0.27 H new ATOM 0 HD2 HIS A 83 1.904 -10.380 -0.857 1.00 0.37 H new ATOM 0 HE1 HIS A 83 2.242 -6.150 -0.866 1.00 0.40 H new ATOM 0 HE2 HIS A 83 1.273 -8.165 -2.084 1.00 0.39 H new ATOM 1209 N ALA A 84 6.723 -8.174 1.173 1.00 0.25 N ATOM 1210 CA ALA A 84 7.388 -6.937 1.555 1.00 0.25 C ATOM 1211 C ALA A 84 6.853 -5.797 0.708 1.00 0.25 C ATOM 1212 O ALA A 84 6.772 -5.917 -0.512 1.00 0.35 O ATOM 1213 CB ALA A 84 8.896 -7.068 1.401 1.00 0.31 C ATOM 0 H ALA A 84 7.059 -8.586 0.302 1.00 0.25 H new ATOM 0 HA ALA A 84 7.181 -6.727 2.604 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.374 -6.133 1.692 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.258 -7.874 2.039 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.138 -7.291 0.362 1.00 0.31 H new ATOM 1219 N VAL A 85 6.435 -4.719 1.357 1.00 0.22 N ATOM 1220 CA VAL A 85 5.780 -3.631 0.649 1.00 0.23 C ATOM 1221 C VAL A 85 6.416 -2.296 0.966 1.00 0.22 C ATOM 1222 O VAL A 85 6.195 -1.736 2.041 1.00 0.25 O ATOM 1223 CB VAL A 85 4.299 -3.538 1.032 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.497 -2.838 -0.054 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.735 -4.907 1.338 1.00 0.59 C ATOM 0 H VAL A 85 6.537 -4.576 2.362 1.00 0.22 H new ATOM 0 HA VAL A 85 5.887 -3.850 -0.413 1.00 0.23 H new ATOM 0 HB VAL A 85 4.221 -2.937 1.938 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.450 -2.786 0.244 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.884 -1.829 -0.199 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.582 -3.397 -0.986 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.683 -4.815 1.607 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.830 -5.545 0.459 1.00 0.59 H new ATOM 0 HG23 VAL A 85 4.285 -5.350 2.169 1.00 0.59 H new ATOM 1235 N ASN A 86 7.199 -1.794 0.034 1.00 0.22 N ATOM 1236 CA ASN A 86 7.733 -0.448 0.124 1.00 0.22 C ATOM 1237 C ASN A 86 7.042 0.413 -0.913 1.00 0.20 C ATOM 1238 O ASN A 86 7.344 0.345 -2.104 1.00 0.24 O ATOM 1239 CB ASN A 86 9.253 -0.422 -0.101 1.00 0.28 C ATOM 1240 CG ASN A 86 10.058 -1.113 0.991 1.00 0.85 C ATOM 1241 OD1 ASN A 86 11.125 -0.638 1.379 1.00 1.53 O ATOM 1242 ND2 ASN A 86 9.585 -2.253 1.471 1.00 0.94 N ATOM 0 H ASN A 86 7.483 -2.303 -0.803 1.00 0.22 H new ATOM 0 HA ASN A 86 7.548 -0.064 1.127 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.476 -0.897 -1.056 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.580 0.615 -0.177 1.00 0.28 H new ATOM 0 HD21 ASN A 86 10.108 -2.763 2.183 1.00 0.94 H new ATOM 0 HD22 ASN A 86 8.697 -2.621 1.129 1.00 0.94 H new ATOM 1249 N LEU A 87 6.114 1.222 -0.449 1.00 0.18 N ATOM 1250 CA LEU A 87 5.316 2.049 -1.328 1.00 0.19 C ATOM 1251 C LEU A 87 5.808 3.483 -1.262 1.00 0.18 C ATOM 1252 O LEU A 87 5.820 4.090 -0.201 1.00 0.18 O ATOM 1253 CB LEU A 87 3.839 1.967 -0.929 1.00 0.20 C ATOM 1254 CG LEU A 87 3.189 0.591 -1.117 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.809 0.559 -0.493 1.00 0.24 C ATOM 1256 CD2 LEU A 87 3.095 0.254 -2.585 1.00 0.22 C ATOM 0 H LEU A 87 5.892 1.325 0.541 1.00 0.18 H new ATOM 0 HA LEU A 87 5.415 1.690 -2.352 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.745 2.256 0.118 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.280 2.698 -1.513 1.00 0.20 H new ATOM 0 HG LEU A 87 3.813 -0.151 -0.619 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.367 -0.427 -0.638 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.887 0.768 0.574 1.00 0.24 H new ATOM 0 HD13 LEU A 87 1.179 1.313 -0.965 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.632 -0.725 -2.705 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.491 1.006 -3.093 1.00 0.22 H new ATOM 0 HD23 LEU A 87 4.095 0.238 -3.019 1.00 0.22 H new ATOM 1268 N THR A 88 6.190 4.027 -2.399 1.00 0.21 N ATOM 1269 CA THR A 88 6.847 5.313 -2.437 1.00 0.21 C ATOM 1270 C THR A 88 5.871 6.412 -2.845 1.00 0.21 C ATOM 1271 O THR A 88 5.303 6.404 -3.941 1.00 0.29 O ATOM 1272 CB THR A 88 8.043 5.275 -3.410 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.763 4.045 -3.242 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.987 6.438 -3.154 1.00 0.29 C ATOM 0 H THR A 88 6.055 3.594 -3.313 1.00 0.21 H new ATOM 0 HA THR A 88 7.214 5.536 -1.435 1.00 0.21 H new ATOM 0 HB THR A 88 7.657 5.349 -4.427 1.00 0.25 H new ATOM 0 HG1 THR A 88 8.240 3.306 -3.616 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.822 6.389 -3.853 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.452 7.378 -3.293 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.364 6.382 -2.133 1.00 0.29 H new ATOM 1282 N TYR A 89 5.680 7.348 -1.929 1.00 0.24 N ATOM 1283 CA TYR A 89 4.778 8.471 -2.109 1.00 0.27 C ATOM 1284 C TYR A 89 5.500 9.587 -2.863 1.00 0.27 C ATOM 1285 O TYR A 89 6.171 10.422 -2.257 1.00 0.30 O ATOM 1286 CB TYR A 89 4.314 8.959 -0.726 1.00 0.37 C ATOM 1287 CG TYR A 89 3.215 9.996 -0.759 1.00 0.45 C ATOM 1288 CD1 TYR A 89 1.886 9.626 -0.857 1.00 0.68 C ATOM 1289 CD2 TYR A 89 3.511 11.345 -0.689 1.00 1.00 C ATOM 1290 CE1 TYR A 89 0.884 10.575 -0.871 1.00 0.69 C ATOM 1291 CE2 TYR A 89 2.518 12.301 -0.706 1.00 1.11 C ATOM 1292 CZ TYR A 89 1.186 11.891 -0.841 1.00 0.68 C ATOM 1293 OH TYR A 89 0.205 12.855 -0.793 1.00 0.80 O ATOM 0 H TYR A 89 6.155 7.348 -1.026 1.00 0.24 H new ATOM 0 HA TYR A 89 3.907 8.170 -2.691 1.00 0.27 H new ATOM 0 HB2 TYR A 89 3.968 8.101 -0.150 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.171 9.374 -0.196 1.00 0.37 H new ATOM 0 HD1 TYR A 89 1.629 8.579 -0.924 1.00 0.68 H new ATOM 0 HD2 TYR A 89 4.543 11.656 -0.619 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -0.149 10.263 -0.906 1.00 0.69 H new ATOM 0 HE2 TYR A 89 2.763 13.349 -0.617 1.00 1.11 H new ATOM 0 HH TYR A 89 0.042 13.201 -1.695 1.00 0.80 H new ATOM 1303 N MET A 90 5.371 9.587 -4.184 1.00 0.29 N ATOM 1304 CA MET A 90 6.083 10.552 -5.020 1.00 0.34 C ATOM 1305 C MET A 90 5.122 11.237 -5.957 1.00 0.38 C ATOM 1306 O MET A 90 4.009 10.764 -6.152 1.00 0.47 O ATOM 1307 CB MET A 90 7.115 9.880 -5.910 1.00 0.37 C ATOM 1308 CG MET A 90 7.953 8.818 -5.253 1.00 0.36 C ATOM 1309 SD MET A 90 8.998 7.991 -6.462 1.00 0.65 S ATOM 1310 CE MET A 90 7.788 7.673 -7.754 1.00 0.54 C ATOM 0 H MET A 90 4.783 8.933 -4.700 1.00 0.29 H new ATOM 0 HA MET A 90 6.563 11.250 -4.335 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.599 9.435 -6.760 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.780 10.647 -6.307 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.572 9.266 -4.476 1.00 0.36 H new ATOM 0 HG3 MET A 90 7.307 8.089 -4.765 1.00 0.36 H new ATOM 0 HE1 MET A 90 8.189 6.942 -8.456 1.00 0.54 H new ATOM 0 HE2 MET A 90 6.873 7.284 -7.308 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.568 8.600 -8.283 1.00 0.54 H new ATOM 1320 N ARG A 91 5.569 12.338 -6.547 1.00 0.40 N ATOM 1321 CA ARG A 91 4.814 12.997 -7.598 1.00 0.49 C ATOM 1322 C ARG A 91 4.790 12.073 -8.809 1.00 0.58 C ATOM 1323 O ARG A 91 5.792 11.924 -9.477 1.00 0.65 O ATOM 1324 CB ARG A 91 5.462 14.330 -7.983 1.00 0.55 C ATOM 1325 CG ARG A 91 4.456 15.456 -8.167 1.00 0.67 C ATOM 1326 CD ARG A 91 5.101 16.722 -8.706 1.00 0.79 C ATOM 1327 NE ARG A 91 5.979 17.374 -7.732 1.00 1.37 N ATOM 1328 CZ ARG A 91 6.842 18.344 -8.044 1.00 1.71 C ATOM 1329 NH1 ARG A 91 6.963 18.746 -9.306 1.00 1.74 N ATOM 1330 NH2 ARG A 91 7.563 18.928 -7.092 1.00 2.59 N ATOM 0 H ARG A 91 6.452 12.792 -6.313 1.00 0.40 H new ATOM 0 HA ARG A 91 3.803 13.204 -7.246 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.178 14.614 -7.212 1.00 0.55 H new ATOM 0 HB3 ARG A 91 6.024 14.199 -8.908 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.671 15.131 -8.850 1.00 0.67 H new ATOM 0 HG3 ARG A 91 3.978 15.673 -7.212 1.00 0.67 H new ATOM 0 HD2 ARG A 91 5.676 16.479 -9.600 1.00 0.79 H new ATOM 0 HD3 ARG A 91 4.321 17.420 -9.009 1.00 0.79 H new ATOM 0 HE ARG A 91 5.928 17.070 -6.760 1.00 1.37 H new ATOM 0 HH11 ARG A 91 6.397 18.313 -10.036 1.00 1.74 H new ATOM 0 HH12 ARG A 91 7.622 19.487 -9.544 1.00 1.74 H new ATOM 0 HH21 ARG A 91 7.458 18.635 -6.121 1.00 2.59 H new ATOM 0 HH22 ARG A 91 8.222 19.669 -7.333 1.00 2.59 H new ATOM 1344 N PRO A 92 3.649 11.446 -9.085 1.00 0.67 N ATOM 1345 CA PRO A 92 3.524 10.351 -10.066 1.00 0.81 C ATOM 1346 C PRO A 92 4.240 10.585 -11.403 1.00 0.91 C ATOM 1347 O PRO A 92 4.690 9.632 -12.037 1.00 1.04 O ATOM 1348 CB PRO A 92 2.007 10.245 -10.290 1.00 0.92 C ATOM 1349 CG PRO A 92 1.404 11.403 -9.554 1.00 0.88 C ATOM 1350 CD PRO A 92 2.357 11.730 -8.456 1.00 0.72 C ATOM 0 HA PRO A 92 4.000 9.449 -9.681 1.00 0.81 H new ATOM 0 HB2 PRO A 92 1.765 10.287 -11.352 1.00 0.92 H new ATOM 0 HB3 PRO A 92 1.621 9.298 -9.913 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.264 12.257 -10.217 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.423 11.144 -9.156 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.276 12.770 -8.141 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.189 11.115 -7.572 1.00 0.72 H new ATOM 1358 N TRP A 93 4.346 11.833 -11.838 1.00 0.90 N ATOM 1359 CA TRP A 93 4.962 12.127 -13.129 1.00 1.03 C ATOM 1360 C TRP A 93 6.446 12.482 -13.000 1.00 1.03 C ATOM 1361 O TRP A 93 7.089 12.837 -13.990 1.00 1.17 O ATOM 1362 CB TRP A 93 4.202 13.241 -13.857 1.00 1.08 C ATOM 1363 CG TRP A 93 3.971 14.470 -13.033 1.00 0.98 C ATOM 1364 CD1 TRP A 93 4.754 15.586 -12.981 1.00 1.01 C ATOM 1365 CD2 TRP A 93 2.868 14.715 -12.154 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.211 16.502 -12.114 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.051 15.990 -11.596 1.00 0.94 C ATOM 1368 CE3 TRP A 93 1.745 13.973 -11.787 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.151 16.541 -10.689 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 0.852 14.519 -10.885 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.061 15.792 -10.343 1.00 0.99 C ATOM 0 H TRP A 93 4.018 12.651 -11.325 1.00 0.90 H new ATOM 0 HA TRP A 93 4.900 11.215 -13.723 1.00 1.03 H new ATOM 0 HB2 TRP A 93 4.757 13.518 -14.753 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.238 12.852 -14.186 1.00 1.08 H new ATOM 0 HD1 TRP A 93 5.667 15.728 -13.540 1.00 1.01 H new ATOM 0 HE1 TRP A 93 4.607 17.415 -11.892 1.00 0.98 H new ATOM 0 HE3 TRP A 93 1.577 12.990 -12.200 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.308 17.525 -10.273 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 -0.021 13.954 -10.594 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.347 16.191 -9.637 1.00 0.99 H new ATOM 1382 N THR A 94 6.997 12.367 -11.797 1.00 0.91 N ATOM 1383 CA THR A 94 8.414 12.646 -11.573 1.00 0.95 C ATOM 1384 C THR A 94 8.889 12.099 -10.224 1.00 0.86 C ATOM 1385 O THR A 94 9.784 11.254 -10.178 1.00 1.07 O ATOM 1386 CB THR A 94 8.733 14.161 -11.676 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.072 14.415 -11.237 1.00 1.09 O ATOM 1388 CG2 THR A 94 7.760 15.005 -10.861 1.00 0.85 C ATOM 0 H THR A 94 6.486 12.083 -10.961 1.00 0.91 H new ATOM 0 HA THR A 94 8.958 12.133 -12.366 1.00 0.95 H new ATOM 0 HB THR A 94 8.628 14.444 -12.723 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.263 15.374 -11.308 1.00 1.09 H new ATOM 0 HG21 THR A 94 8.020 16.059 -10.961 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.745 14.845 -11.226 1.00 0.85 H new ATOM 0 HG23 THR A 94 7.818 14.716 -9.812 1.00 0.85 H new ATOM 1396 N GLY A 95 8.284 12.570 -9.137 1.00 0.64 N ATOM 1397 CA GLY A 95 8.666 12.127 -7.809 1.00 0.60 C ATOM 1398 C GLY A 95 10.081 12.513 -7.475 1.00 0.70 C ATOM 1399 O GLY A 95 11.013 11.743 -7.703 1.00 1.16 O ATOM 0 H GLY A 95 7.530 13.256 -9.154 1.00 0.64 H new ATOM 0 HA2 GLY A 95 7.988 12.559 -7.073 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.560 11.044 -7.743 1.00 0.60 H new ATOM 1403 N PRO A 96 10.266 13.722 -6.944 1.00 0.64 N ATOM 1404 CA PRO A 96 11.576 14.194 -6.526 1.00 0.90 C ATOM 1405 C PRO A 96 12.172 13.239 -5.500 1.00 0.98 C ATOM 1406 O PRO A 96 11.600 13.040 -4.428 1.00 1.17 O ATOM 1407 CB PRO A 96 11.295 15.565 -5.915 1.00 1.02 C ATOM 1408 CG PRO A 96 9.961 15.972 -6.427 1.00 1.20 C ATOM 1409 CD PRO A 96 9.208 14.707 -6.688 1.00 0.97 C ATOM 0 HA PRO A 96 12.296 14.250 -7.342 1.00 0.90 H new ATOM 0 HB2 PRO A 96 11.297 15.515 -4.826 1.00 1.02 H new ATOM 0 HB3 PRO A 96 12.061 16.286 -6.203 1.00 1.02 H new ATOM 0 HG2 PRO A 96 9.438 16.593 -5.699 1.00 1.20 H new ATOM 0 HG3 PRO A 96 10.058 16.562 -7.338 1.00 1.20 H new ATOM 0 HD2 PRO A 96 8.594 14.423 -5.834 1.00 0.97 H new ATOM 0 HD3 PRO A 96 8.539 14.808 -7.542 1.00 0.97 H new ATOM 1417 N SER A 97 13.307 12.650 -5.849 1.00 1.20 N ATOM 1418 CA SER A 97 13.870 11.512 -5.121 1.00 1.48 C ATOM 1419 C SER A 97 13.930 11.755 -3.614 1.00 1.31 C ATOM 1420 O SER A 97 13.402 10.966 -2.828 1.00 1.86 O ATOM 1421 CB SER A 97 15.267 11.186 -5.657 1.00 2.04 C ATOM 1422 OG SER A 97 15.771 9.984 -5.091 1.00 2.64 O ATOM 0 H SER A 97 13.869 12.946 -6.647 1.00 1.20 H new ATOM 0 HA SER A 97 13.205 10.664 -5.284 1.00 1.48 H new ATOM 0 HB2 SER A 97 15.229 11.091 -6.742 1.00 2.04 H new ATOM 0 HB3 SER A 97 15.946 12.009 -5.432 1.00 2.04 H new ATOM 0 HG SER A 97 16.663 9.801 -5.453 1.00 2.64 H new ATOM 1428 N HIS A 98 14.540 12.859 -3.213 1.00 1.20 N ATOM 1429 CA HIS A 98 14.736 13.140 -1.798 1.00 1.22 C ATOM 1430 C HIS A 98 13.577 13.971 -1.248 1.00 0.98 C ATOM 1431 O HIS A 98 13.582 14.372 -0.085 1.00 1.07 O ATOM 1432 CB HIS A 98 16.072 13.872 -1.604 1.00 1.58 C ATOM 1433 CG HIS A 98 16.499 14.012 -0.169 1.00 2.34 C ATOM 1434 ND1 HIS A 98 16.602 15.228 0.468 1.00 3.02 N ATOM 1435 CD2 HIS A 98 16.870 13.082 0.742 1.00 3.23 C ATOM 1436 CE1 HIS A 98 17.018 15.042 1.704 1.00 3.95 C ATOM 1437 NE2 HIS A 98 17.186 13.751 1.897 1.00 4.09 N ATOM 0 H HIS A 98 14.907 13.572 -3.843 1.00 1.20 H new ATOM 0 HA HIS A 98 14.762 12.200 -1.246 1.00 1.22 H new ATOM 0 HB2 HIS A 98 16.848 13.337 -2.151 1.00 1.58 H new ATOM 0 HB3 HIS A 98 15.996 14.865 -2.047 1.00 1.58 H new ATOM 0 HD2 HIS A 98 16.910 12.014 0.588 1.00 3.23 H new ATOM 0 HE1 HIS A 98 17.192 15.818 2.435 1.00 3.95 H new ATOM 0 HE2 HIS A 98 17.500 13.318 2.765 1.00 4.09 H new ATOM 1446 N ASP A 99 12.562 14.197 -2.075 1.00 0.79 N ATOM 1447 CA ASP A 99 11.464 15.070 -1.691 1.00 0.79 C ATOM 1448 C ASP A 99 10.182 14.256 -1.541 1.00 0.77 C ATOM 1449 O ASP A 99 9.122 14.782 -1.213 1.00 1.35 O ATOM 1450 CB ASP A 99 11.308 16.171 -2.746 1.00 0.96 C ATOM 1451 CG ASP A 99 10.449 17.335 -2.295 1.00 1.18 C ATOM 1452 OD1 ASP A 99 10.737 17.912 -1.225 1.00 1.35 O ATOM 1453 OD2 ASP A 99 9.519 17.715 -3.034 1.00 1.67 O ATOM 0 H ASP A 99 12.479 13.791 -3.007 1.00 0.79 H new ATOM 0 HA ASP A 99 11.675 15.538 -0.729 1.00 0.79 H new ATOM 0 HB2 ASP A 99 12.296 16.544 -3.016 1.00 0.96 H new ATOM 0 HB3 ASP A 99 10.873 15.739 -3.647 1.00 0.96 H new ATOM 1458 N SER A 100 10.303 12.952 -1.753 1.00 0.51 N ATOM 1459 CA SER A 100 9.166 12.046 -1.685 1.00 0.45 C ATOM 1460 C SER A 100 9.102 11.326 -0.331 1.00 0.46 C ATOM 1461 O SER A 100 10.019 11.427 0.488 1.00 0.69 O ATOM 1462 CB SER A 100 9.273 11.028 -2.819 1.00 0.55 C ATOM 1463 OG SER A 100 9.311 11.680 -4.079 1.00 1.39 O ATOM 0 H SER A 100 11.187 12.495 -1.976 1.00 0.51 H new ATOM 0 HA SER A 100 8.250 12.627 -1.790 1.00 0.45 H new ATOM 0 HB2 SER A 100 10.172 10.425 -2.689 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.424 10.346 -2.783 1.00 0.55 H new ATOM 0 HG SER A 100 10.128 12.217 -4.145 1.00 1.39 H new ATOM 1469 N GLU A 101 8.004 10.613 -0.109 1.00 0.35 N ATOM 1470 CA GLU A 101 7.786 9.833 1.109 1.00 0.40 C ATOM 1471 C GLU A 101 7.719 8.345 0.739 1.00 0.40 C ATOM 1472 O GLU A 101 7.703 8.016 -0.443 1.00 0.68 O ATOM 1473 CB GLU A 101 6.484 10.310 1.783 1.00 0.46 C ATOM 1474 CG GLU A 101 6.018 9.478 2.975 1.00 0.62 C ATOM 1475 CD GLU A 101 6.999 9.469 4.130 1.00 1.06 C ATOM 1476 OE1 GLU A 101 8.088 8.875 3.985 1.00 1.91 O ATOM 1477 OE2 GLU A 101 6.664 10.014 5.198 1.00 1.19 O ATOM 0 H GLU A 101 7.232 10.558 -0.773 1.00 0.35 H new ATOM 0 HA GLU A 101 8.605 9.974 1.814 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.622 11.340 2.113 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.691 10.318 1.036 1.00 0.46 H new ATOM 0 HG2 GLU A 101 5.061 9.865 3.325 1.00 0.62 H new ATOM 0 HG3 GLU A 101 5.847 8.453 2.647 1.00 0.62 H new ATOM 1484 N ARG A 102 7.710 7.448 1.721 1.00 0.22 N ATOM 1485 CA ARG A 102 7.605 6.023 1.434 1.00 0.18 C ATOM 1486 C ARG A 102 7.061 5.256 2.638 1.00 0.17 C ATOM 1487 O ARG A 102 7.372 5.553 3.791 1.00 0.20 O ATOM 1488 CB ARG A 102 8.974 5.464 1.022 1.00 0.23 C ATOM 1489 CG ARG A 102 8.902 4.230 0.134 1.00 0.26 C ATOM 1490 CD ARG A 102 10.291 3.718 -0.210 1.00 0.36 C ATOM 1491 NE ARG A 102 10.288 2.738 -1.304 1.00 0.37 N ATOM 1492 CZ ARG A 102 11.253 1.837 -1.483 1.00 0.44 C ATOM 1493 NH1 ARG A 102 12.218 1.707 -0.579 1.00 0.62 N ATOM 1494 NH2 ARG A 102 11.246 1.052 -2.552 1.00 0.52 N ATOM 0 H ARG A 102 7.773 7.680 2.712 1.00 0.22 H new ATOM 0 HA ARG A 102 6.905 5.895 0.608 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.529 6.242 0.499 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.539 5.219 1.921 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.338 3.447 0.641 1.00 0.26 H new ATOM 0 HG3 ARG A 102 8.363 4.469 -0.782 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.924 4.561 -0.487 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.734 3.263 0.676 1.00 0.36 H new ATOM 0 HE ARG A 102 9.507 2.748 -1.960 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.220 2.297 0.253 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.956 1.017 -0.717 1.00 0.62 H new ATOM 0 HH21 ARG A 102 10.499 1.136 -3.242 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.987 0.364 -2.684 1.00 0.52 H new ATOM 1508 N PHE A 103 6.229 4.278 2.329 1.00 0.15 N ATOM 1509 CA PHE A 103 5.623 3.390 3.302 1.00 0.17 C ATOM 1510 C PHE A 103 6.327 2.047 3.236 1.00 0.18 C ATOM 1511 O PHE A 103 6.929 1.723 2.214 1.00 0.21 O ATOM 1512 CB PHE A 103 4.123 3.247 2.978 1.00 0.18 C ATOM 1513 CG PHE A 103 3.524 1.933 3.347 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.584 0.866 2.468 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.908 1.762 4.567 1.00 0.55 C ATOM 1516 CE1 PHE A 103 3.042 -0.346 2.805 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.364 0.550 4.908 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.434 -0.505 4.025 1.00 0.86 C ATOM 0 H PHE A 103 5.949 4.075 1.369 1.00 0.15 H new ATOM 0 HA PHE A 103 5.723 3.789 4.312 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.578 4.037 3.495 1.00 0.18 H new ATOM 0 HB3 PHE A 103 3.980 3.408 1.909 1.00 0.18 H new ATOM 0 HD1 PHE A 103 4.062 0.990 1.508 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.853 2.588 5.260 1.00 0.55 H new ATOM 0 HE1 PHE A 103 3.093 -1.174 2.113 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.882 0.423 5.866 1.00 0.78 H new ATOM 0 HZ PHE A 103 2.009 -1.461 4.294 1.00 0.86 H new ATOM 1528 N THR A 104 6.258 1.258 4.298 1.00 0.17 N ATOM 1529 CA THR A 104 6.901 -0.036 4.291 1.00 0.19 C ATOM 1530 C THR A 104 6.277 -0.970 5.321 1.00 0.17 C ATOM 1531 O THR A 104 6.550 -0.860 6.516 1.00 0.18 O ATOM 1532 CB THR A 104 8.413 0.093 4.581 1.00 0.24 C ATOM 1533 OG1 THR A 104 9.047 0.905 3.582 1.00 0.31 O ATOM 1534 CG2 THR A 104 9.074 -1.273 4.617 1.00 0.26 C ATOM 0 H THR A 104 5.769 1.492 5.162 1.00 0.17 H new ATOM 0 HA THR A 104 6.759 -0.456 3.295 1.00 0.19 H new ATOM 0 HB THR A 104 8.528 0.566 5.556 1.00 0.24 H new ATOM 0 HG1 THR A 104 8.467 0.966 2.794 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.138 -1.157 4.823 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.617 -1.878 5.400 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.942 -1.766 3.654 1.00 0.26 H new ATOM 1542 N VAL A 105 5.442 -1.890 4.862 1.00 0.17 N ATOM 1543 CA VAL A 105 4.983 -2.954 5.725 1.00 0.17 C ATOM 1544 C VAL A 105 5.718 -4.238 5.381 1.00 0.21 C ATOM 1545 O VAL A 105 5.904 -4.573 4.206 1.00 0.25 O ATOM 1546 CB VAL A 105 3.456 -3.186 5.622 1.00 0.20 C ATOM 1547 CG1 VAL A 105 3.062 -3.665 4.245 1.00 0.79 C ATOM 1548 CG2 VAL A 105 2.993 -4.180 6.665 1.00 0.88 C ATOM 0 H VAL A 105 5.076 -1.918 3.910 1.00 0.17 H new ATOM 0 HA VAL A 105 5.196 -2.656 6.751 1.00 0.17 H new ATOM 0 HB VAL A 105 2.968 -2.228 5.803 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.983 -3.818 4.208 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.348 -2.918 3.504 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.569 -4.605 4.028 1.00 0.79 H new ATOM 0 HG21 VAL A 105 1.917 -4.328 6.574 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.504 -5.131 6.514 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.224 -3.798 7.659 1.00 0.88 H new ATOM 1558 N TYR A 106 6.174 -4.925 6.403 1.00 0.24 N ATOM 1559 CA TYR A 106 6.781 -6.221 6.223 1.00 0.28 C ATOM 1560 C TYR A 106 5.817 -7.285 6.677 1.00 0.27 C ATOM 1561 O TYR A 106 5.484 -7.386 7.858 1.00 0.36 O ATOM 1562 CB TYR A 106 8.098 -6.343 6.974 1.00 0.38 C ATOM 1563 CG TYR A 106 9.196 -5.492 6.396 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.798 -5.836 5.192 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.629 -4.348 7.044 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.800 -5.060 4.650 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.632 -3.567 6.511 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.218 -3.927 5.312 1.00 0.58 C ATOM 1569 OH TYR A 106 12.211 -3.146 4.768 1.00 0.70 O ATOM 0 H TYR A 106 6.135 -4.605 7.371 1.00 0.24 H new ATOM 0 HA TYR A 106 7.006 -6.350 5.164 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.941 -6.063 8.016 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.416 -7.386 6.969 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.476 -6.726 4.672 1.00 0.48 H new ATOM 0 HD2 TYR A 106 9.174 -4.063 7.981 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.255 -5.339 3.711 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.959 -2.677 7.028 1.00 0.57 H new ATOM 0 HH TYR A 106 12.388 -2.384 5.358 1.00 0.70 H new ATOM 1579 N LEU A 107 5.354 -8.051 5.728 1.00 0.26 N ATOM 1580 CA LEU A 107 4.345 -9.043 5.978 1.00 0.29 C ATOM 1581 C LEU A 107 4.797 -10.388 5.447 1.00 0.31 C ATOM 1582 O LEU A 107 5.746 -10.471 4.676 1.00 0.45 O ATOM 1583 CB LEU A 107 3.056 -8.620 5.284 1.00 0.39 C ATOM 1584 CG LEU A 107 2.403 -7.358 5.810 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.330 -6.896 4.847 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.812 -7.597 7.182 1.00 2.02 C ATOM 0 H LEU A 107 5.666 -8.005 4.758 1.00 0.26 H new ATOM 0 HA LEU A 107 4.176 -9.131 7.051 1.00 0.29 H new ATOM 0 HB2 LEU A 107 3.266 -8.482 4.223 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.339 -9.437 5.363 1.00 0.39 H new ATOM 0 HG LEU A 107 3.161 -6.580 5.897 1.00 1.33 H new ATOM 0 HD11 LEU A 107 0.864 -5.988 5.230 1.00 2.12 H new ATOM 0 HD12 LEU A 107 1.778 -6.691 3.874 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.575 -7.675 4.742 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.348 -6.679 7.543 1.00 2.02 H new ATOM 0 HD22 LEU A 107 1.061 -8.385 7.122 1.00 2.02 H new ATOM 0 HD23 LEU A 107 2.601 -7.899 7.870 1.00 2.02 H new ATOM 1598 N LYS A 108 4.129 -11.433 5.868 1.00 0.25 N ATOM 1599 CA LYS A 108 4.361 -12.747 5.313 1.00 0.26 C ATOM 1600 C LYS A 108 3.067 -13.244 4.706 1.00 0.24 C ATOM 1601 O LYS A 108 2.114 -13.506 5.427 1.00 0.29 O ATOM 1602 CB LYS A 108 4.845 -13.708 6.394 1.00 0.32 C ATOM 1603 CG LYS A 108 5.385 -15.015 5.845 1.00 0.45 C ATOM 1604 CD LYS A 108 5.744 -15.972 6.972 1.00 0.76 C ATOM 1605 CE LYS A 108 6.530 -17.179 6.479 1.00 1.34 C ATOM 1606 NZ LYS A 108 5.750 -18.017 5.534 1.00 1.89 N ATOM 0 H LYS A 108 3.416 -11.401 6.597 1.00 0.25 H new ATOM 0 HA LYS A 108 5.134 -12.692 4.547 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.624 -13.220 6.980 1.00 0.32 H new ATOM 0 HB3 LYS A 108 4.021 -13.922 7.074 1.00 0.32 H new ATOM 0 HG2 LYS A 108 4.641 -15.476 5.195 1.00 0.45 H new ATOM 0 HG3 LYS A 108 6.266 -14.821 5.234 1.00 0.45 H new ATOM 0 HD2 LYS A 108 6.330 -15.442 7.723 1.00 0.76 H new ATOM 0 HD3 LYS A 108 4.831 -16.311 7.462 1.00 0.76 H new ATOM 0 HE2 LYS A 108 7.443 -16.839 5.990 1.00 1.34 H new ATOM 0 HE3 LYS A 108 6.832 -17.785 7.333 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 6.186 -18.959 5.464 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 4.773 -18.112 5.879 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 5.744 -17.568 4.596 1.00 1.89 H new ATOM 1620 N ALA A 109 3.046 -13.398 3.392 1.00 0.24 N ATOM 1621 CA ALA A 109 1.815 -13.689 2.677 1.00 0.28 C ATOM 1622 C ALA A 109 1.750 -15.153 2.345 1.00 0.34 C ATOM 1623 O ALA A 109 2.449 -15.624 1.457 1.00 0.53 O ATOM 1624 CB ALA A 109 1.710 -12.845 1.413 1.00 0.37 C ATOM 0 H ALA A 109 3.871 -13.326 2.797 1.00 0.24 H new ATOM 0 HA ALA A 109 0.971 -13.436 3.319 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.780 -13.080 0.895 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.719 -11.788 1.679 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.555 -13.062 0.759 1.00 0.37 H new ATOM 1630 N ASN A 110 0.889 -15.858 3.061 1.00 0.41 N ATOM 1631 CA ASN A 110 0.876 -17.312 3.030 1.00 0.54 C ATOM 1632 C ASN A 110 -0.268 -17.851 3.875 1.00 0.95 C ATOM 1633 O ASN A 110 -1.178 -17.067 4.199 1.00 1.35 O ATOM 1634 CB ASN A 110 2.206 -17.884 3.548 1.00 0.56 C ATOM 1635 CG ASN A 110 2.463 -17.617 5.026 1.00 0.80 C ATOM 1636 OD1 ASN A 110 3.052 -18.443 5.717 1.00 1.58 O ATOM 1637 ND2 ASN A 110 2.056 -16.460 5.519 1.00 0.56 N ATOM 1638 OXT ASN A 110 -0.251 -19.057 4.207 1.00 1.78 O ATOM 0 H ASN A 110 0.186 -15.444 3.674 1.00 0.41 H new ATOM 0 HA ASN A 110 0.738 -17.622 1.994 1.00 0.54 H new ATOM 0 HB2 ASN A 110 2.218 -18.960 3.377 1.00 0.56 H new ATOM 0 HB3 ASN A 110 3.024 -17.459 2.965 1.00 0.56 H new ATOM 0 HD21 ASN A 110 2.229 -16.234 6.498 1.00 0.56 H new ATOM 0 HD22 ASN A 110 1.569 -15.793 4.920 1.00 0.56 H new TER 1645 ASN A 110