USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 101 ASN : amide:sc= -1.27! K(o=-1.3!,f=-0.028) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 138:sc= -0.932 USER MOD Single : A 108 MET CE :methyl 142:sc= -0.271 (180deg=-1.71) USER MOD Single : A 111 LYS NZ :NH3+ 136:sc= 1.09 (180deg=0.511) USER MOD Single : A 113 SER OG : rot 87:sc= 1.22 USER MOD Single : A 117 SER OG : rot -29:sc= 0.00756 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-6.2!) USER MOD Single : A 122 MET CE :methyl 177:sc= -6.34! (180deg=-6.52!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 126 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 131 LYS NZ :NH3+ -154:sc= 0.745 (180deg=0.0103) USER MOD Single : A 133 GLN : amide:sc= -1.97! K(o=-2!,f=-0.82) USER MOD Single : A 134 LYS NZ :NH3+ 158:sc= 0.00378 (180deg=-0.471) USER MOD Single : B 101 ASN : amide:sc= -1.12! K(o=-1.1!,f=-0.017) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 TYR OH : rot 130:sc= -0.915 USER MOD Single : B 108 MET CE :methyl 141:sc= -0.305 (180deg=-1.76) USER MOD Single : B 111 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.589) USER MOD Single : B 113 SER OG : rot 90:sc= 1.17 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-6.2!) USER MOD Single : B 122 MET CE :methyl 180:sc= -6.35! (180deg=-6.35!) USER MOD Single : B 123 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 126 THR OG1 : rot 82:sc= 1.22 USER MOD Single : B 131 LYS NZ :NH3+ -158:sc= 0.748 (180deg=0.0553) USER MOD Single : B 133 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.8) USER MOD Single : B 134 LYS NZ :NH3+ 160:sc= 0.0601 (180deg=-0.459) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 99 -14.450 6.116 -6.208 1.00 4.97 N ATOM 2 CA PRO A 99 -15.260 6.629 -5.102 1.00 4.83 C ATOM 3 C PRO A 99 -14.790 6.077 -3.766 1.00 4.33 C ATOM 4 O PRO A 99 -14.837 4.867 -3.525 1.00 4.07 O ATOM 5 CB PRO A 99 -16.677 6.142 -5.422 1.00 5.14 C ATOM 6 CG PRO A 99 -16.475 4.998 -6.345 1.00 5.27 C ATOM 7 CD PRO A 99 -15.256 5.343 -7.157 1.00 5.29 C ATOM 0 HA PRO A 99 -15.195 7.713 -5.012 1.00 4.83 H new ATOM 0 HB2 PRO A 99 -17.205 5.835 -4.519 1.00 5.14 H new ATOM 0 HB3 PRO A 99 -17.272 6.928 -5.888 1.00 5.14 H new ATOM 0 HG2 PRO A 99 -16.328 4.070 -5.793 1.00 5.27 H new ATOM 0 HG3 PRO A 99 -17.345 4.853 -6.986 1.00 5.27 H new ATOM 0 HD2 PRO A 99 -14.732 4.451 -7.502 1.00 5.29 H new ATOM 0 HD3 PRO A 99 -15.510 5.926 -8.042 1.00 5.29 H new ATOM 15 N GLU A 100 -14.344 6.979 -2.906 1.00 4.31 N ATOM 16 CA GLU A 100 -13.759 6.619 -1.623 1.00 4.02 C ATOM 17 C GLU A 100 -14.736 5.822 -0.765 1.00 3.83 C ATOM 18 O GLU A 100 -14.325 5.033 0.089 1.00 3.64 O ATOM 19 CB GLU A 100 -13.304 7.883 -0.898 1.00 4.28 C ATOM 20 CG GLU A 100 -12.201 8.620 -1.643 1.00 4.51 C ATOM 21 CD GLU A 100 -11.980 10.023 -1.127 1.00 4.77 C ATOM 22 OE1 GLU A 100 -12.741 10.928 -1.529 1.00 4.99 O ATOM 23 OE2 GLU A 100 -11.041 10.234 -0.333 1.00 5.13 O ATOM 0 H GLU A 100 -14.377 7.984 -3.078 1.00 4.31 H new ATOM 0 HA GLU A 100 -12.896 5.978 -1.804 1.00 4.02 H new ATOM 0 HB2 GLU A 100 -14.157 8.549 -0.767 1.00 4.28 H new ATOM 0 HB3 GLU A 100 -12.950 7.618 0.098 1.00 4.28 H new ATOM 0 HG2 GLU A 100 -11.272 8.056 -1.558 1.00 4.51 H new ATOM 0 HG3 GLU A 100 -12.451 8.663 -2.703 1.00 4.51 H new ATOM 30 N ASN A 101 -16.026 6.014 -1.020 1.00 4.05 N ATOM 31 CA ASN A 101 -17.058 5.282 -0.293 1.00 4.10 C ATOM 32 C ASN A 101 -16.924 3.780 -0.522 1.00 3.98 C ATOM 33 O ASN A 101 -17.160 2.981 0.382 1.00 4.07 O ATOM 34 CB ASN A 101 -18.453 5.751 -0.705 1.00 4.55 C ATOM 35 CG ASN A 101 -19.538 5.192 0.199 1.00 4.76 C ATOM 36 OD1 ASN A 101 -20.645 4.897 -0.247 1.00 5.19 O ATOM 37 ND2 ASN A 101 -19.235 5.072 1.484 1.00 4.68 N ATOM 0 H ASN A 101 -16.381 6.666 -1.720 1.00 4.05 H new ATOM 0 HA ASN A 101 -16.922 5.486 0.769 1.00 4.10 H new ATOM 0 HB2 ASN A 101 -18.489 6.840 -0.682 1.00 4.55 H new ATOM 0 HB3 ASN A 101 -18.647 5.447 -1.734 1.00 4.55 H new ATOM 0 HD21 ASN A 101 -19.932 4.724 2.142 1.00 4.68 H new ATOM 0 HD22 ASN A 101 -18.305 5.328 1.815 1.00 4.68 H new ATOM 44 N LYS A 102 -16.539 3.400 -1.732 1.00 3.93 N ATOM 45 CA LYS A 102 -16.322 2.000 -2.058 1.00 3.87 C ATOM 46 C LYS A 102 -14.859 1.620 -1.886 1.00 3.43 C ATOM 47 O LYS A 102 -14.535 0.476 -1.585 1.00 3.32 O ATOM 48 CB LYS A 102 -16.755 1.725 -3.495 1.00 4.20 C ATOM 49 CG LYS A 102 -18.241 1.925 -3.741 1.00 4.62 C ATOM 50 CD LYS A 102 -18.629 1.479 -5.140 1.00 5.18 C ATOM 51 CE LYS A 102 -18.408 -0.014 -5.327 1.00 5.68 C ATOM 52 NZ LYS A 102 -18.644 -0.438 -6.732 1.00 6.27 N ATOM 0 H LYS A 102 -16.371 4.044 -2.505 1.00 3.93 H new ATOM 0 HA LYS A 102 -16.920 1.397 -1.374 1.00 3.87 H new ATOM 0 HB2 LYS A 102 -16.195 2.379 -4.164 1.00 4.20 H new ATOM 0 HB3 LYS A 102 -16.489 0.700 -3.754 1.00 4.20 H new ATOM 0 HG2 LYS A 102 -18.814 1.361 -3.004 1.00 4.62 H new ATOM 0 HG3 LYS A 102 -18.497 2.976 -3.607 1.00 4.62 H new ATOM 0 HD2 LYS A 102 -19.676 1.719 -5.323 1.00 5.18 H new ATOM 0 HD3 LYS A 102 -18.043 2.030 -5.875 1.00 5.18 H new ATOM 0 HE2 LYS A 102 -17.389 -0.269 -5.037 1.00 5.68 H new ATOM 0 HE3 LYS A 102 -19.075 -0.565 -4.665 1.00 5.68 H new ATOM 0 HZ1 LYS A 102 -18.483 -1.462 -6.817 1.00 6.27 H new ATOM 0 HZ2 LYS A 102 -19.624 -0.218 -7.001 1.00 6.27 H new ATOM 0 HZ3 LYS A 102 -17.990 0.069 -7.362 1.00 6.27 H new ATOM 66 N TYR A 103 -13.981 2.581 -2.108 1.00 3.24 N ATOM 67 CA TYR A 103 -12.541 2.388 -1.996 1.00 2.85 C ATOM 68 C TYR A 103 -12.124 2.005 -0.571 1.00 2.57 C ATOM 69 O TYR A 103 -11.175 1.243 -0.384 1.00 2.28 O ATOM 70 CB TYR A 103 -11.855 3.683 -2.439 1.00 2.82 C ATOM 71 CG TYR A 103 -10.347 3.705 -2.338 1.00 2.56 C ATOM 72 CD1 TYR A 103 -9.551 2.919 -3.160 1.00 2.69 C ATOM 73 CD2 TYR A 103 -9.723 4.551 -1.435 1.00 2.76 C ATOM 74 CE1 TYR A 103 -8.172 2.975 -3.077 1.00 2.58 C ATOM 75 CE2 TYR A 103 -8.349 4.612 -1.339 1.00 2.65 C ATOM 76 CZ TYR A 103 -7.575 3.821 -2.164 1.00 2.31 C ATOM 77 OH TYR A 103 -6.201 3.884 -2.085 1.00 2.31 O ATOM 0 H TYR A 103 -14.247 3.529 -2.374 1.00 3.24 H new ATOM 0 HA TYR A 103 -12.236 1.560 -2.636 1.00 2.85 H new ATOM 0 HB2 TYR A 103 -12.132 3.881 -3.474 1.00 2.82 H new ATOM 0 HB3 TYR A 103 -12.251 4.503 -1.840 1.00 2.82 H new ATOM 0 HD1 TYR A 103 -10.015 2.255 -3.874 1.00 2.69 H new ATOM 0 HD2 TYR A 103 -10.326 5.176 -0.793 1.00 2.76 H new ATOM 0 HE1 TYR A 103 -7.564 2.359 -3.724 1.00 2.58 H new ATOM 0 HE2 TYR A 103 -7.882 5.273 -0.624 1.00 2.65 H new ATOM 0 HH TYR A 103 -5.921 4.818 -1.988 1.00 2.31 H new ATOM 87 N LEU A 104 -12.835 2.519 0.431 1.00 2.70 N ATOM 88 CA LEU A 104 -12.500 2.285 1.833 1.00 2.55 C ATOM 89 C LEU A 104 -12.644 0.806 2.228 1.00 2.53 C ATOM 90 O LEU A 104 -11.687 0.210 2.724 1.00 2.25 O ATOM 91 CB LEU A 104 -13.377 3.172 2.724 1.00 2.85 C ATOM 92 CG LEU A 104 -13.227 2.960 4.230 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.807 3.263 4.679 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.225 3.828 4.975 1.00 3.18 C ATOM 0 H LEU A 104 -13.657 3.107 0.294 1.00 2.70 H new ATOM 0 HA LEU A 104 -11.451 2.546 1.976 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.152 4.215 2.499 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.420 3.005 2.455 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.432 1.914 4.459 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.724 3.105 5.754 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.113 2.602 4.161 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.565 4.300 4.445 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -14.113 3.672 6.048 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -14.042 4.876 4.740 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.237 3.559 4.673 1.00 3.18 H new ATOM 106 N PRO A 105 -13.827 0.181 2.025 1.00 2.88 N ATOM 107 CA PRO A 105 -14.026 -1.234 2.358 1.00 2.95 C ATOM 108 C PRO A 105 -13.101 -2.137 1.549 1.00 2.65 C ATOM 109 O PRO A 105 -12.720 -3.220 1.990 1.00 2.62 O ATOM 110 CB PRO A 105 -15.491 -1.495 2.004 1.00 3.43 C ATOM 111 CG PRO A 105 -15.829 -0.423 1.029 1.00 3.51 C ATOM 112 CD PRO A 105 -15.057 0.777 1.478 1.00 3.28 C ATOM 0 HA PRO A 105 -13.798 -1.447 3.402 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.625 -2.485 1.569 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.129 -1.446 2.887 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.552 -0.712 0.015 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.900 -0.221 1.022 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.846 1.456 0.652 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.599 1.350 2.230 1.00 3.28 H new ATOM 120 N GLU A 106 -12.741 -1.676 0.362 1.00 2.53 N ATOM 121 CA GLU A 106 -11.765 -2.367 -0.463 1.00 2.35 C ATOM 122 C GLU A 106 -10.425 -2.450 0.262 1.00 1.89 C ATOM 123 O GLU A 106 -9.792 -3.504 0.315 1.00 1.84 O ATOM 124 CB GLU A 106 -11.575 -1.587 -1.760 1.00 2.43 C ATOM 125 CG GLU A 106 -12.724 -1.705 -2.736 1.00 2.88 C ATOM 126 CD GLU A 106 -12.564 -2.880 -3.668 1.00 3.32 C ATOM 127 OE1 GLU A 106 -11.773 -2.770 -4.630 1.00 3.62 O ATOM 128 OE2 GLU A 106 -13.233 -3.908 -3.455 1.00 3.70 O ATOM 0 H GLU A 106 -13.113 -0.822 -0.053 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.123 -3.375 -0.671 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.427 -0.535 -1.518 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.664 -1.933 -2.247 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.658 -1.807 -2.184 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -12.797 -0.788 -3.320 1.00 2.88 H new ATOM 135 N LEU A 107 -10.018 -1.322 0.826 1.00 1.63 N ATOM 136 CA LEU A 107 -8.750 -1.230 1.537 1.00 1.23 C ATOM 137 C LEU A 107 -8.746 -2.129 2.762 1.00 1.08 C ATOM 138 O LEU A 107 -7.795 -2.862 2.988 1.00 0.96 O ATOM 139 CB LEU A 107 -8.487 0.203 1.978 1.00 1.21 C ATOM 140 CG LEU A 107 -8.280 1.204 0.853 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.263 2.611 1.414 1.00 1.42 C ATOM 142 CD2 LEU A 107 -6.982 0.912 0.119 1.00 1.20 C ATOM 0 H LEU A 107 -10.551 -0.453 0.805 1.00 1.63 H new ATOM 0 HA LEU A 107 -7.966 -1.553 0.852 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.326 0.537 2.589 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.604 0.212 2.617 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.104 1.116 0.144 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.114 3.324 0.603 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.212 2.817 1.909 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.450 2.706 2.134 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -6.847 1.637 -0.684 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.146 0.982 0.815 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.020 -0.093 -0.302 1.00 1.20 H new ATOM 154 N MET A 108 -9.829 -2.085 3.527 1.00 1.27 N ATOM 155 CA MET A 108 -9.932 -2.882 4.747 1.00 1.26 C ATOM 156 C MET A 108 -9.951 -4.376 4.434 1.00 1.17 C ATOM 157 O MET A 108 -9.391 -5.176 5.179 1.00 1.13 O ATOM 158 CB MET A 108 -11.173 -2.483 5.565 1.00 1.64 C ATOM 159 CG MET A 108 -12.505 -2.829 4.929 1.00 1.96 C ATOM 160 SD MET A 108 -13.909 -2.307 5.936 1.00 2.39 S ATOM 161 CE MET A 108 -13.614 -0.542 6.044 1.00 2.67 C ATOM 0 H MET A 108 -10.647 -1.509 3.327 1.00 1.27 H new ATOM 0 HA MET A 108 -9.047 -2.676 5.349 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.117 -2.968 6.540 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.141 -1.408 5.742 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.569 -2.356 3.949 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.558 -3.906 4.768 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.564 -0.010 5.992 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.121 -0.313 6.989 1.00 2.67 H new ATOM 0 HE3 MET A 108 -12.977 -0.228 5.217 1.00 2.67 H new ATOM 171 N ALA A 109 -10.570 -4.751 3.318 1.00 1.27 N ATOM 172 CA ALA A 109 -10.635 -6.157 2.936 1.00 1.30 C ATOM 173 C ALA A 109 -9.258 -6.675 2.527 1.00 0.99 C ATOM 174 O ALA A 109 -8.837 -7.744 2.964 1.00 1.01 O ATOM 175 CB ALA A 109 -11.651 -6.365 1.822 1.00 1.60 C ATOM 0 H ALA A 109 -11.028 -4.110 2.670 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.963 -6.731 3.803 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.684 -7.421 1.552 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.636 -6.047 2.164 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.362 -5.777 0.951 1.00 1.60 H new ATOM 181 N GLU A 110 -8.561 -5.907 1.698 1.00 0.80 N ATOM 182 CA GLU A 110 -7.204 -6.276 1.300 1.00 0.62 C ATOM 183 C GLU A 110 -6.279 -6.205 2.515 1.00 0.45 C ATOM 184 O GLU A 110 -5.405 -7.044 2.706 1.00 0.55 O ATOM 185 CB GLU A 110 -6.692 -5.353 0.189 1.00 0.56 C ATOM 186 CG GLU A 110 -7.460 -5.478 -1.119 1.00 0.60 C ATOM 187 CD GLU A 110 -6.867 -4.624 -2.222 1.00 0.83 C ATOM 188 OE1 GLU A 110 -7.540 -4.411 -3.253 1.00 1.49 O ATOM 189 OE2 GLU A 110 -5.724 -4.158 -2.068 1.00 1.48 O ATOM 0 H GLU A 110 -8.905 -5.037 1.292 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.216 -7.295 0.913 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.747 -4.320 0.534 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.640 -5.572 0.004 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.467 -6.521 -1.435 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.498 -5.188 -0.957 1.00 0.60 H new ATOM 196 N LYS A 111 -6.525 -5.190 3.322 1.00 0.41 N ATOM 197 CA LYS A 111 -5.744 -4.997 4.544 1.00 0.46 C ATOM 198 C LYS A 111 -5.781 -6.239 5.441 1.00 0.47 C ATOM 199 O LYS A 111 -4.744 -6.768 5.828 1.00 0.52 O ATOM 200 CB LYS A 111 -6.253 -3.771 5.311 1.00 0.63 C ATOM 201 CG LYS A 111 -5.935 -3.782 6.797 1.00 0.79 C ATOM 202 CD LYS A 111 -6.407 -2.507 7.469 1.00 0.89 C ATOM 203 CE LYS A 111 -6.453 -2.643 8.980 1.00 1.15 C ATOM 204 NZ LYS A 111 -7.579 -3.506 9.427 1.00 1.89 N ATOM 0 H LYS A 111 -7.249 -4.490 3.162 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.707 -4.831 4.252 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.821 -2.875 4.866 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.333 -3.701 5.184 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.412 -4.642 7.267 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.860 -3.895 6.941 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.741 -1.687 7.199 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.399 -2.248 7.098 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -5.512 -3.062 9.335 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.552 -1.655 9.430 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -7.245 -4.157 10.166 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -8.342 -2.911 9.809 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -7.938 -4.054 8.619 1.00 1.89 H new ATOM 218 N ASP A 112 -6.969 -6.716 5.756 1.00 0.49 N ATOM 219 CA ASP A 112 -7.102 -7.825 6.699 1.00 0.58 C ATOM 220 C ASP A 112 -6.844 -9.178 6.043 1.00 0.53 C ATOM 221 O ASP A 112 -6.787 -10.203 6.722 1.00 0.63 O ATOM 222 CB ASP A 112 -8.466 -7.796 7.384 1.00 0.72 C ATOM 223 CG ASP A 112 -8.495 -6.805 8.533 1.00 2.65 C ATOM 224 OD1 ASP A 112 -8.261 -7.219 9.691 1.00 3.03 O ATOM 225 OD2 ASP A 112 -8.727 -5.608 8.285 1.00 3.08 O ATOM 0 H ASP A 112 -7.850 -6.363 5.382 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.333 -7.692 7.460 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.233 -7.532 6.656 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -8.708 -8.792 7.756 1.00 0.72 H new ATOM 230 N SER A 113 -6.693 -9.186 4.728 1.00 0.44 N ATOM 231 CA SER A 113 -6.427 -10.423 4.002 1.00 0.43 C ATOM 232 C SER A 113 -4.960 -10.519 3.583 1.00 0.35 C ATOM 233 O SER A 113 -4.481 -11.584 3.178 1.00 0.40 O ATOM 234 CB SER A 113 -7.329 -10.497 2.774 1.00 0.44 C ATOM 235 OG SER A 113 -8.700 -10.427 3.144 1.00 0.55 O ATOM 0 H SER A 113 -6.749 -8.354 4.141 1.00 0.44 H new ATOM 0 HA SER A 113 -6.639 -11.262 4.664 1.00 0.43 H new ATOM 0 HB2 SER A 113 -7.090 -9.680 2.093 1.00 0.44 H new ATOM 0 HB3 SER A 113 -7.141 -11.426 2.236 1.00 0.44 H new ATOM 0 HG SER A 113 -8.977 -9.488 3.196 1.00 0.55 H new ATOM 241 N LEU A 114 -4.255 -9.403 3.687 1.00 0.27 N ATOM 242 CA LEU A 114 -2.871 -9.309 3.245 1.00 0.23 C ATOM 243 C LEU A 114 -1.936 -9.915 4.287 1.00 0.27 C ATOM 244 O LEU A 114 -2.186 -9.819 5.490 1.00 0.31 O ATOM 245 CB LEU A 114 -2.513 -7.843 3.002 1.00 0.17 C ATOM 246 CG LEU A 114 -1.293 -7.593 2.109 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.648 -7.785 0.640 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.744 -6.200 2.337 1.00 0.16 C ATOM 0 H LEU A 114 -4.625 -8.537 4.080 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.755 -9.867 2.316 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.375 -7.348 2.554 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.337 -7.367 3.967 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.525 -8.319 2.375 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.766 -7.602 0.026 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -1.996 -8.805 0.480 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.436 -7.085 0.362 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.122 -6.040 1.694 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.512 -5.463 2.101 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.446 -6.092 3.380 1.00 0.16 H new ATOM 260 N ASP A 115 -0.875 -10.556 3.815 1.00 0.29 N ATOM 261 CA ASP A 115 0.098 -11.191 4.694 1.00 0.34 C ATOM 262 C ASP A 115 0.934 -10.133 5.413 1.00 0.33 C ATOM 263 O ASP A 115 1.471 -9.219 4.782 1.00 0.29 O ATOM 264 CB ASP A 115 1.012 -12.117 3.887 1.00 0.37 C ATOM 265 CG ASP A 115 1.818 -13.055 4.768 1.00 0.49 C ATOM 266 OD1 ASP A 115 1.413 -14.227 4.912 1.00 1.23 O ATOM 267 OD2 ASP A 115 2.853 -12.630 5.317 1.00 1.21 O ATOM 0 H ASP A 115 -0.665 -10.650 2.821 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.438 -11.781 5.437 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.408 -12.704 3.195 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.693 -11.515 3.285 1.00 0.37 H new ATOM 272 N PRO A 116 1.060 -10.254 6.744 1.00 0.41 N ATOM 273 CA PRO A 116 1.756 -9.267 7.583 1.00 0.46 C ATOM 274 C PRO A 116 3.244 -9.150 7.264 1.00 0.42 C ATOM 275 O PRO A 116 3.889 -8.171 7.653 1.00 0.47 O ATOM 276 CB PRO A 116 1.551 -9.794 9.007 1.00 0.55 C ATOM 277 CG PRO A 116 1.294 -11.248 8.835 1.00 0.55 C ATOM 278 CD PRO A 116 0.532 -11.372 7.547 1.00 0.50 C ATOM 0 HA PRO A 116 1.363 -8.263 7.423 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.431 -9.617 9.626 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.713 -9.298 9.496 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.228 -11.809 8.794 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.719 -11.646 9.671 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.707 -12.334 7.065 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.543 -11.285 7.703 1.00 0.50 H new ATOM 286 N SER A 117 3.789 -10.141 6.560 1.00 0.36 N ATOM 287 CA SER A 117 5.200 -10.123 6.184 1.00 0.37 C ATOM 288 C SER A 117 5.499 -8.942 5.264 1.00 0.38 C ATOM 289 O SER A 117 6.650 -8.521 5.127 1.00 0.56 O ATOM 290 CB SER A 117 5.594 -11.432 5.497 1.00 0.37 C ATOM 291 OG SER A 117 6.984 -11.474 5.217 1.00 1.30 O ATOM 0 H SER A 117 3.277 -10.963 6.240 1.00 0.36 H new ATOM 0 HA SER A 117 5.788 -10.015 7.095 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.325 -12.274 6.134 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.031 -11.541 4.570 1.00 0.37 H new ATOM 0 HG SER A 117 7.318 -10.563 5.082 1.00 1.30 H new ATOM 297 N PHE A 118 4.462 -8.411 4.639 1.00 0.28 N ATOM 298 CA PHE A 118 4.607 -7.227 3.815 1.00 0.32 C ATOM 299 C PHE A 118 4.309 -6.002 4.658 1.00 0.44 C ATOM 300 O PHE A 118 3.200 -5.473 4.636 1.00 0.94 O ATOM 301 CB PHE A 118 3.673 -7.286 2.609 1.00 0.27 C ATOM 302 CG PHE A 118 3.860 -8.516 1.771 1.00 0.23 C ATOM 303 CD1 PHE A 118 4.651 -8.484 0.638 1.00 1.22 C ATOM 304 CD2 PHE A 118 3.239 -9.703 2.118 1.00 1.21 C ATOM 305 CE1 PHE A 118 4.821 -9.613 -0.134 1.00 1.21 C ATOM 306 CE2 PHE A 118 3.407 -10.836 1.354 1.00 1.23 C ATOM 307 CZ PHE A 118 4.198 -10.793 0.224 1.00 0.28 C ATOM 0 H PHE A 118 3.513 -8.781 4.687 1.00 0.28 H new ATOM 0 HA PHE A 118 5.629 -7.173 3.439 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.641 -7.245 2.956 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.836 -6.405 1.989 1.00 0.27 H new ATOM 0 HD1 PHE A 118 5.141 -7.564 0.355 1.00 1.22 H new ATOM 0 HD2 PHE A 118 2.615 -9.741 2.999 1.00 1.21 H new ATOM 0 HE1 PHE A 118 5.441 -9.575 -1.018 1.00 1.21 H new ATOM 0 HE2 PHE A 118 2.920 -11.757 1.639 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.330 -11.679 -0.379 1.00 0.28 H new ATOM 317 N THR A 119 5.312 -5.562 5.402 1.00 0.39 N ATOM 318 CA THR A 119 5.148 -4.481 6.355 1.00 0.39 C ATOM 319 C THR A 119 4.664 -3.201 5.683 1.00 0.42 C ATOM 320 O THR A 119 3.690 -2.593 6.118 1.00 0.45 O ATOM 321 CB THR A 119 6.468 -4.203 7.094 1.00 0.44 C ATOM 322 OG1 THR A 119 6.860 -5.361 7.843 1.00 0.48 O ATOM 323 CG2 THR A 119 6.335 -3.007 8.025 1.00 0.45 C ATOM 0 H THR A 119 6.257 -5.943 5.361 1.00 0.39 H new ATOM 0 HA THR A 119 4.390 -4.800 7.071 1.00 0.39 H new ATOM 0 HB THR A 119 7.232 -3.973 6.351 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.702 -5.179 8.310 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.284 -2.835 8.534 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.068 -2.123 7.446 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.558 -3.205 8.763 1.00 0.45 H new ATOM 331 N HIS A 120 5.340 -2.804 4.619 1.00 0.44 N ATOM 332 CA HIS A 120 5.042 -1.546 3.953 1.00 0.51 C ATOM 333 C HIS A 120 3.708 -1.616 3.226 1.00 0.47 C ATOM 334 O HIS A 120 2.922 -0.675 3.272 1.00 0.57 O ATOM 335 CB HIS A 120 6.171 -1.177 2.998 1.00 0.60 C ATOM 336 CG HIS A 120 7.497 -1.073 3.685 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.727 -0.252 4.769 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.649 -1.734 3.467 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.967 -0.423 5.189 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.551 -1.321 4.418 1.00 1.47 N ATOM 0 H HIS A 120 6.101 -3.335 4.196 1.00 0.44 H new ATOM 0 HA HIS A 120 4.962 -0.764 4.709 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.233 -1.926 2.208 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.939 -0.226 2.518 1.00 0.60 H new ATOM 0 HD2 HIS A 120 8.831 -2.458 2.686 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.426 0.086 6.023 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.511 -1.653 4.512 1.00 1.47 H new ATOM 349 N ALA A 121 3.457 -2.738 2.565 1.00 0.37 N ATOM 350 CA ALA A 121 2.178 -2.976 1.903 1.00 0.34 C ATOM 351 C ALA A 121 1.040 -2.901 2.907 1.00 0.38 C ATOM 352 O ALA A 121 -0.011 -2.318 2.646 1.00 0.47 O ATOM 353 CB ALA A 121 2.189 -4.332 1.226 1.00 0.27 C ATOM 0 H ALA A 121 4.125 -3.503 2.472 1.00 0.37 H new ATOM 0 HA ALA A 121 2.026 -2.205 1.148 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.231 -4.501 0.735 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.987 -4.362 0.484 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.357 -5.109 1.971 1.00 0.27 H new ATOM 359 N MET A 122 1.288 -3.473 4.069 1.00 0.35 N ATOM 360 CA MET A 122 0.325 -3.472 5.157 1.00 0.34 C ATOM 361 C MET A 122 0.179 -2.074 5.746 1.00 0.39 C ATOM 362 O MET A 122 -0.923 -1.639 6.086 1.00 0.41 O ATOM 363 CB MET A 122 0.764 -4.468 6.233 1.00 0.37 C ATOM 364 CG MET A 122 0.422 -5.913 5.914 1.00 0.38 C ATOM 365 SD MET A 122 -1.211 -6.403 6.510 1.00 0.49 S ATOM 366 CE MET A 122 -2.262 -5.199 5.703 1.00 0.63 C ATOM 0 H MET A 122 2.162 -3.952 4.287 1.00 0.35 H new ATOM 0 HA MET A 122 -0.648 -3.775 4.769 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.841 -4.383 6.374 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.296 -4.195 7.179 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.468 -6.061 4.835 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.175 -6.565 6.358 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.305 -5.412 5.937 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.008 -4.200 6.056 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.114 -5.252 4.624 1.00 0.63 H new ATOM 376 N GLN A 123 1.298 -1.375 5.835 1.00 0.44 N ATOM 377 CA GLN A 123 1.322 -0.023 6.376 1.00 0.53 C ATOM 378 C GLN A 123 0.603 0.956 5.451 1.00 0.54 C ATOM 379 O GLN A 123 -0.197 1.771 5.911 1.00 0.62 O ATOM 380 CB GLN A 123 2.767 0.416 6.637 1.00 0.65 C ATOM 381 CG GLN A 123 2.961 1.918 6.758 1.00 0.83 C ATOM 382 CD GLN A 123 4.416 2.328 6.616 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.330 1.558 6.919 1.00 1.60 O ATOM 384 NE2 GLN A 123 4.640 3.550 6.162 1.00 1.76 N ATOM 0 H GLN A 123 2.209 -1.723 5.537 1.00 0.44 H new ATOM 0 HA GLN A 123 0.786 -0.022 7.325 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.116 -0.057 7.555 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.397 0.046 5.828 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.369 2.421 5.993 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.585 2.253 7.724 1.00 0.83 H new ATOM 0 HE21 GLN A 123 3.856 4.157 5.922 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.597 3.886 6.052 1.00 1.76 H new ATOM 393 N LEU A 124 0.864 0.872 4.159 1.00 0.49 N ATOM 394 CA LEU A 124 0.260 1.795 3.211 1.00 0.50 C ATOM 395 C LEU A 124 -1.247 1.571 3.119 1.00 0.45 C ATOM 396 O LEU A 124 -2.018 2.520 2.974 1.00 0.52 O ATOM 397 CB LEU A 124 0.949 1.696 1.854 1.00 0.50 C ATOM 398 CG LEU A 124 2.430 2.082 1.879 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.136 1.597 0.621 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.582 3.588 2.030 1.00 0.83 C ATOM 0 H LEU A 124 1.486 0.179 3.742 1.00 0.49 H new ATOM 0 HA LEU A 124 0.405 2.814 3.570 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.856 0.675 1.484 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.428 2.340 1.145 1.00 0.50 H new ATOM 0 HG LEU A 124 2.896 1.598 2.737 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.187 1.883 0.661 1.00 0.49 H new ATOM 0 HD12 LEU A 124 3.057 0.512 0.555 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.670 2.049 -0.255 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.641 3.847 2.046 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.099 4.088 1.191 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.116 3.909 2.961 1.00 0.83 H new ATOM 412 N LEU A 125 -1.663 0.310 3.232 1.00 0.37 N ATOM 413 CA LEU A 125 -3.086 -0.018 3.277 1.00 0.35 C ATOM 414 C LEU A 125 -3.709 0.591 4.521 1.00 0.46 C ATOM 415 O LEU A 125 -4.818 1.112 4.485 1.00 0.52 O ATOM 416 CB LEU A 125 -3.301 -1.533 3.313 1.00 0.28 C ATOM 417 CG LEU A 125 -3.290 -2.251 1.970 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.236 -3.746 2.205 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.530 -1.897 1.166 1.00 0.33 C ATOM 0 H LEU A 125 -1.040 -0.495 3.294 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.554 0.385 2.379 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.527 -1.973 3.942 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.257 -1.731 3.798 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.413 -1.936 1.404 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.228 -4.265 1.246 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.331 -3.995 2.760 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.110 -4.056 2.778 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.505 -2.419 0.210 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.420 -2.196 1.719 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.556 -0.821 0.992 1.00 0.33 H new ATOM 431 N THR A 126 -2.963 0.543 5.611 1.00 0.55 N ATOM 432 CA THR A 126 -3.466 1.038 6.879 1.00 0.74 C ATOM 433 C THR A 126 -3.603 2.558 6.842 1.00 0.92 C ATOM 434 O THR A 126 -4.634 3.116 7.228 1.00 1.07 O ATOM 435 CB THR A 126 -2.537 0.624 8.038 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.501 -0.806 8.150 1.00 0.86 O ATOM 437 CG2 THR A 126 -2.993 1.233 9.353 1.00 0.91 C ATOM 0 H THR A 126 -2.014 0.169 5.644 1.00 0.55 H new ATOM 0 HA THR A 126 -4.448 0.597 7.046 1.00 0.74 H new ATOM 0 HB THR A 126 -1.537 0.997 7.819 1.00 0.81 H new ATOM 0 HG1 THR A 126 -1.987 -1.180 7.404 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.318 0.923 10.151 1.00 0.91 H new ATOM 0 HG22 THR A 126 -2.985 2.320 9.273 1.00 0.91 H new ATOM 0 HG23 THR A 126 -4.004 0.894 9.580 1.00 0.91 H new ATOM 445 N ALA A 127 -2.563 3.213 6.341 1.00 0.96 N ATOM 446 CA ALA A 127 -2.513 4.665 6.284 1.00 1.09 C ATOM 447 C ALA A 127 -3.620 5.242 5.411 1.00 1.18 C ATOM 448 O ALA A 127 -4.268 6.220 5.791 1.00 1.38 O ATOM 449 CB ALA A 127 -1.154 5.106 5.773 1.00 1.18 C ATOM 0 H ALA A 127 -1.734 2.753 5.965 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.669 5.047 7.293 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.117 6.195 5.730 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.377 4.743 6.445 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -0.990 4.698 4.775 1.00 1.18 H new ATOM 455 N GLU A 128 -3.826 4.645 4.240 1.00 1.13 N ATOM 456 CA GLU A 128 -4.852 5.120 3.316 1.00 1.31 C ATOM 457 C GLU A 128 -6.232 5.018 3.953 1.00 1.38 C ATOM 458 O GLU A 128 -7.077 5.894 3.779 1.00 1.61 O ATOM 459 CB GLU A 128 -4.829 4.332 2.015 1.00 1.35 C ATOM 460 CG GLU A 128 -5.675 4.962 0.923 1.00 1.47 C ATOM 461 CD GLU A 128 -5.142 6.311 0.478 1.00 1.46 C ATOM 462 OE1 GLU A 128 -4.126 6.349 -0.239 1.00 2.02 O ATOM 463 OE2 GLU A 128 -5.745 7.340 0.834 1.00 1.95 O ATOM 0 H GLU A 128 -3.300 3.836 3.910 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.636 6.165 3.091 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.800 4.248 1.666 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.185 3.319 2.204 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.714 4.290 0.066 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.697 5.080 1.283 1.00 1.47 H new ATOM 470 N ILE A 129 -6.437 3.954 4.715 1.00 1.24 N ATOM 471 CA ILE A 129 -7.685 3.778 5.429 1.00 1.42 C ATOM 472 C ILE A 129 -7.870 4.890 6.449 1.00 1.64 C ATOM 473 O ILE A 129 -8.946 5.465 6.548 1.00 1.92 O ATOM 474 CB ILE A 129 -7.762 2.402 6.116 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.767 1.309 5.053 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.002 2.294 7.000 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.724 -0.085 5.616 1.00 1.01 C ATOM 0 H ILE A 129 -5.758 3.206 4.852 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.493 3.826 4.698 1.00 1.42 H new ATOM 0 HB ILE A 129 -6.890 2.281 6.759 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.662 1.416 4.440 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -6.910 1.452 4.394 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.028 1.312 7.471 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -8.968 3.065 7.770 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -9.896 2.428 6.391 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.730 -0.807 4.800 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.816 -0.211 6.206 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.595 -0.248 6.251 1.00 1.01 H new ATOM 489 N GLU A 130 -6.797 5.224 7.160 1.00 1.56 N ATOM 490 CA GLU A 130 -6.823 6.301 8.148 1.00 1.76 C ATOM 491 C GLU A 130 -7.256 7.615 7.500 1.00 1.94 C ATOM 492 O GLU A 130 -8.023 8.389 8.077 1.00 2.19 O ATOM 493 CB GLU A 130 -5.441 6.473 8.782 1.00 1.67 C ATOM 494 CG GLU A 130 -4.957 5.256 9.551 1.00 1.60 C ATOM 495 CD GLU A 130 -3.631 5.504 10.242 1.00 1.81 C ATOM 496 OE1 GLU A 130 -2.584 5.477 9.558 1.00 2.25 O ATOM 497 OE2 GLU A 130 -3.630 5.741 11.469 1.00 2.15 O ATOM 0 H GLU A 130 -5.892 4.761 7.070 1.00 1.56 H new ATOM 0 HA GLU A 130 -7.543 6.035 8.922 1.00 1.76 H new ATOM 0 HB2 GLU A 130 -4.720 6.705 7.998 1.00 1.67 H new ATOM 0 HB3 GLU A 130 -5.466 7.329 9.456 1.00 1.67 H new ATOM 0 HG2 GLU A 130 -5.705 4.977 10.293 1.00 1.60 H new ATOM 0 HG3 GLU A 130 -4.856 4.413 8.867 1.00 1.60 H new ATOM 504 N LYS A 131 -6.769 7.840 6.284 1.00 1.85 N ATOM 505 CA LYS A 131 -7.081 9.044 5.525 1.00 2.07 C ATOM 506 C LYS A 131 -8.571 9.128 5.209 1.00 2.28 C ATOM 507 O LYS A 131 -9.171 10.198 5.292 1.00 2.54 O ATOM 508 CB LYS A 131 -6.281 9.065 4.226 1.00 2.03 C ATOM 509 CG LYS A 131 -4.778 9.166 4.431 1.00 2.33 C ATOM 510 CD LYS A 131 -4.030 8.902 3.136 1.00 2.59 C ATOM 511 CE LYS A 131 -4.445 9.869 2.040 1.00 3.17 C ATOM 512 NZ LYS A 131 -3.937 9.442 0.711 1.00 3.73 N ATOM 0 H LYS A 131 -6.148 7.193 5.798 1.00 1.85 H new ATOM 0 HA LYS A 131 -6.810 9.905 6.136 1.00 2.07 H new ATOM 0 HB2 LYS A 131 -6.501 8.159 3.660 1.00 2.03 H new ATOM 0 HB3 LYS A 131 -6.613 9.908 3.620 1.00 2.03 H new ATOM 0 HG2 LYS A 131 -4.525 10.158 4.805 1.00 2.33 H new ATOM 0 HG3 LYS A 131 -4.462 8.449 5.189 1.00 2.33 H new ATOM 0 HD2 LYS A 131 -2.958 8.989 3.311 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -4.218 7.879 2.809 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -5.532 9.939 2.009 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -4.068 10.865 2.271 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -3.838 10.273 0.094 1.00 3.73 H new ATOM 0 HZ2 LYS A 131 -3.011 8.982 0.825 1.00 3.73 H new ATOM 0 HZ3 LYS A 131 -4.606 8.771 0.283 1.00 3.73 H new ATOM 526 N ILE A 132 -9.158 8.008 4.818 1.00 2.21 N ATOM 527 CA ILE A 132 -10.590 7.967 4.557 1.00 2.47 C ATOM 528 C ILE A 132 -11.386 7.969 5.867 1.00 2.68 C ATOM 529 O ILE A 132 -12.409 8.643 5.981 1.00 2.98 O ATOM 530 CB ILE A 132 -10.976 6.725 3.737 1.00 2.40 C ATOM 531 CG1 ILE A 132 -9.968 6.495 2.611 1.00 2.18 C ATOM 532 CG2 ILE A 132 -12.381 6.878 3.167 1.00 2.72 C ATOM 533 CD1 ILE A 132 -10.328 5.339 1.711 1.00 2.19 C ATOM 0 H ILE A 132 -8.672 7.123 4.675 1.00 2.21 H new ATOM 0 HA ILE A 132 -10.835 8.860 3.982 1.00 2.47 H new ATOM 0 HB ILE A 132 -10.963 5.858 4.398 1.00 2.40 H new ATOM 0 HG12 ILE A 132 -9.891 7.402 2.012 1.00 2.18 H new ATOM 0 HG13 ILE A 132 -8.984 6.315 3.045 1.00 2.18 H new ATOM 0 HG21 ILE A 132 -12.638 5.990 2.589 1.00 2.72 H new ATOM 0 HG22 ILE A 132 -13.094 6.999 3.983 1.00 2.72 H new ATOM 0 HG23 ILE A 132 -12.418 7.755 2.520 1.00 2.72 H new ATOM 0 HD11 ILE A 132 -9.570 5.233 0.935 1.00 2.19 H new ATOM 0 HD12 ILE A 132 -10.377 4.422 2.298 1.00 2.19 H new ATOM 0 HD13 ILE A 132 -11.297 5.526 1.249 1.00 2.19 H new ATOM 545 N GLN A 133 -10.899 7.218 6.856 1.00 2.56 N ATOM 546 CA GLN A 133 -11.566 7.103 8.159 1.00 2.81 C ATOM 547 C GLN A 133 -11.741 8.464 8.825 1.00 2.98 C ATOM 548 O GLN A 133 -12.775 8.737 9.436 1.00 3.27 O ATOM 549 CB GLN A 133 -10.770 6.187 9.096 1.00 2.72 C ATOM 550 CG GLN A 133 -10.798 4.717 8.709 1.00 2.73 C ATOM 551 CD GLN A 133 -12.131 4.060 8.976 1.00 2.94 C ATOM 552 OE1 GLN A 133 -12.375 3.542 10.064 1.00 3.49 O ATOM 553 NE2 GLN A 133 -12.997 4.059 7.984 1.00 2.90 N ATOM 0 H GLN A 133 -10.039 6.676 6.780 1.00 2.56 H new ATOM 0 HA GLN A 133 -12.551 6.675 7.975 1.00 2.81 H new ATOM 0 HB2 GLN A 133 -9.734 6.524 9.120 1.00 2.72 H new ATOM 0 HB3 GLN A 133 -11.163 6.292 10.107 1.00 2.72 H new ATOM 0 HG2 GLN A 133 -10.558 4.622 7.650 1.00 2.73 H new ATOM 0 HG3 GLN A 133 -10.021 4.187 9.261 1.00 2.73 H new ATOM 0 HE21 GLN A 133 -12.756 4.500 7.096 1.00 2.90 H new ATOM 0 HE22 GLN A 133 -13.909 3.617 8.103 1.00 2.90 H new ATOM 562 N LYS A 134 -10.725 9.308 8.712 1.00 2.82 N ATOM 563 CA LYS A 134 -10.758 10.634 9.328 1.00 3.02 C ATOM 564 C LYS A 134 -11.792 11.528 8.647 1.00 3.29 C ATOM 565 O LYS A 134 -12.335 12.444 9.260 1.00 3.54 O ATOM 566 CB LYS A 134 -9.384 11.308 9.250 1.00 2.88 C ATOM 567 CG LYS A 134 -8.941 11.589 7.825 1.00 2.85 C ATOM 568 CD LYS A 134 -7.735 12.504 7.757 1.00 2.90 C ATOM 569 CE LYS A 134 -7.330 12.759 6.313 1.00 3.30 C ATOM 570 NZ LYS A 134 -8.481 13.214 5.480 1.00 3.82 N ATOM 0 H LYS A 134 -9.867 9.102 8.201 1.00 2.82 H new ATOM 0 HA LYS A 134 -11.034 10.499 10.374 1.00 3.02 H new ATOM 0 HB2 LYS A 134 -9.413 12.244 9.807 1.00 2.88 H new ATOM 0 HB3 LYS A 134 -8.645 10.671 9.735 1.00 2.88 H new ATOM 0 HG2 LYS A 134 -8.706 10.647 7.330 1.00 2.85 H new ATOM 0 HG3 LYS A 134 -9.766 12.041 7.275 1.00 2.85 H new ATOM 0 HD2 LYS A 134 -7.963 13.450 8.248 1.00 2.90 H new ATOM 0 HD3 LYS A 134 -6.902 12.056 8.299 1.00 2.90 H new ATOM 0 HE2 LYS A 134 -6.543 13.512 6.285 1.00 3.30 H new ATOM 0 HE3 LYS A 134 -6.913 11.846 5.887 1.00 3.30 H new ATOM 0 HZ1 LYS A 134 -8.126 13.721 4.644 1.00 3.82 H new ATOM 0 HZ2 LYS A 134 -9.036 12.389 5.175 1.00 3.82 H new ATOM 0 HZ3 LYS A 134 -9.085 13.849 6.040 1.00 3.82 H new ATOM 584 N GLY A 135 -12.070 11.246 7.382 1.00 3.29 N ATOM 585 CA GLY A 135 -12.948 12.099 6.613 1.00 3.59 C ATOM 586 C GLY A 135 -12.173 13.192 5.916 1.00 4.02 C ATOM 587 O GLY A 135 -11.759 12.991 4.757 1.00 4.46 O ATOM 588 OXT GLY A 135 -11.944 14.248 6.535 1.00 4.40 O ATOM 0 H GLY A 135 -11.702 10.441 6.876 1.00 3.29 H new ATOM 0 HA2 GLY A 135 -13.485 11.503 5.875 1.00 3.59 H new ATOM 0 HA3 GLY A 135 -13.696 12.542 7.270 1.00 3.59 H new TER 592 GLY A 135 ATOM 593 N PRO B 99 14.536 5.781 6.425 1.00 4.97 N ATOM 594 CA PRO B 99 15.353 6.285 5.321 1.00 4.83 C ATOM 595 C PRO B 99 14.872 5.753 3.980 1.00 4.33 C ATOM 596 O PRO B 99 14.893 4.544 3.729 1.00 4.07 O ATOM 597 CB PRO B 99 16.760 5.772 5.638 1.00 5.14 C ATOM 598 CG PRO B 99 16.539 4.622 6.548 1.00 5.27 C ATOM 599 CD PRO B 99 15.330 4.984 7.366 1.00 5.29 C ATOM 0 HA PRO B 99 15.306 7.371 5.237 1.00 4.83 H new ATOM 0 HB2 PRO B 99 17.285 5.467 4.733 1.00 5.14 H new ATOM 0 HB3 PRO B 99 17.366 6.543 6.113 1.00 5.14 H new ATOM 0 HG2 PRO B 99 16.372 3.703 5.986 1.00 5.27 H new ATOM 0 HG3 PRO B 99 17.407 4.453 7.185 1.00 5.27 H new ATOM 0 HD2 PRO B 99 14.790 4.100 7.705 1.00 5.29 H new ATOM 0 HD3 PRO B 99 15.598 5.554 8.255 1.00 5.29 H new ATOM 607 N GLU B 100 14.446 6.673 3.128 1.00 4.31 N ATOM 608 CA GLU B 100 13.857 6.341 1.840 1.00 4.02 C ATOM 609 C GLU B 100 14.820 5.533 0.975 1.00 3.83 C ATOM 610 O GLU B 100 14.397 4.770 0.105 1.00 3.64 O ATOM 611 CB GLU B 100 13.425 7.622 1.126 1.00 4.28 C ATOM 612 CG GLU B 100 12.334 8.367 1.878 1.00 4.51 C ATOM 613 CD GLU B 100 12.127 9.778 1.377 1.00 4.77 C ATOM 614 OE1 GLU B 100 12.862 10.680 1.827 1.00 4.99 O ATOM 615 OE2 GLU B 100 11.226 10.000 0.544 1.00 5.14 O ATOM 0 H GLU B 100 14.499 7.675 3.311 1.00 4.31 H new ATOM 0 HA GLU B 100 12.980 5.717 2.013 1.00 4.02 H new ATOM 0 HB2 GLU B 100 14.289 8.275 1.004 1.00 4.28 H new ATOM 0 HB3 GLU B 100 13.069 7.374 0.126 1.00 4.28 H new ATOM 0 HG2 GLU B 100 11.398 7.815 1.789 1.00 4.51 H new ATOM 0 HG3 GLU B 100 12.587 8.397 2.938 1.00 4.51 H new ATOM 622 N ASN B 101 16.113 5.693 1.234 1.00 4.05 N ATOM 623 CA ASN B 101 17.130 4.949 0.503 1.00 4.09 C ATOM 624 C ASN B 101 16.969 3.451 0.719 1.00 3.98 C ATOM 625 O ASN B 101 17.187 2.653 -0.192 1.00 4.07 O ATOM 626 CB ASN B 101 18.532 5.389 0.915 1.00 4.55 C ATOM 627 CG ASN B 101 19.609 4.817 0.009 1.00 4.75 C ATOM 628 OD1 ASN B 101 20.714 4.511 0.458 1.00 5.19 O ATOM 629 ND2 ASN B 101 19.310 4.711 -1.278 1.00 4.68 N ATOM 0 H ASN B 101 16.480 6.329 1.942 1.00 4.05 H new ATOM 0 HA ASN B 101 16.997 5.164 -0.557 1.00 4.09 H new ATOM 0 HB2 ASN B 101 18.588 6.477 0.898 1.00 4.55 H new ATOM 0 HB3 ASN B 101 18.721 5.076 1.942 1.00 4.55 H new ATOM 0 HD21 ASN B 101 20.008 4.365 -1.937 1.00 4.68 H new ATOM 0 HD22 ASN B 101 18.382 4.975 -1.609 1.00 4.68 H new ATOM 636 N LYS B 102 16.574 3.069 1.925 1.00 3.93 N ATOM 637 CA LYS B 102 16.329 1.670 2.237 1.00 3.87 C ATOM 638 C LYS B 102 14.859 1.320 2.061 1.00 3.43 C ATOM 639 O LYS B 102 14.514 0.184 1.748 1.00 3.32 O ATOM 640 CB LYS B 102 16.760 1.374 3.672 1.00 4.20 C ATOM 641 CG LYS B 102 18.250 1.541 3.923 1.00 4.62 C ATOM 642 CD LYS B 102 18.627 1.080 5.323 1.00 5.18 C ATOM 643 CE LYS B 102 18.368 -0.409 5.500 1.00 5.68 C ATOM 644 NZ LYS B 102 18.590 -0.854 6.901 1.00 6.27 N ATOM 0 H LYS B 102 16.417 3.709 2.703 1.00 3.93 H new ATOM 0 HA LYS B 102 16.913 1.061 1.547 1.00 3.87 H new ATOM 0 HB2 LYS B 102 16.213 2.033 4.347 1.00 4.20 H new ATOM 0 HB3 LYS B 102 16.473 0.353 3.922 1.00 4.20 H new ATOM 0 HG2 LYS B 102 18.812 0.969 3.185 1.00 4.62 H new ATOM 0 HG3 LYS B 102 18.528 2.587 3.794 1.00 4.62 H new ATOM 0 HD2 LYS B 102 19.680 1.293 5.508 1.00 5.18 H new ATOM 0 HD3 LYS B 102 18.054 1.642 6.060 1.00 5.18 H new ATOM 0 HE2 LYS B 102 17.343 -0.635 5.207 1.00 5.68 H new ATOM 0 HE3 LYS B 102 19.022 -0.972 4.834 1.00 5.68 H new ATOM 0 HZ1 LYS B 102 18.402 -1.874 6.975 1.00 6.27 H new ATOM 0 HZ2 LYS B 102 19.575 -0.663 7.174 1.00 6.27 H new ATOM 0 HZ3 LYS B 102 17.948 -0.337 7.535 1.00 6.27 H new ATOM 658 N TYR B 103 13.997 2.294 2.289 1.00 3.24 N ATOM 659 CA TYR B 103 12.557 2.125 2.179 1.00 2.85 C ATOM 660 C TYR B 103 12.132 1.764 0.752 1.00 2.56 C ATOM 661 O TYR B 103 11.170 1.020 0.558 1.00 2.28 O ATOM 662 CB TYR B 103 11.895 3.426 2.636 1.00 2.82 C ATOM 663 CG TYR B 103 10.388 3.481 2.536 1.00 2.56 C ATOM 664 CD1 TYR B 103 9.577 2.704 3.349 1.00 2.69 C ATOM 665 CD2 TYR B 103 9.780 4.348 1.640 1.00 2.76 C ATOM 666 CE1 TYR B 103 8.200 2.789 3.270 1.00 2.58 C ATOM 667 CE2 TYR B 103 8.407 4.437 1.548 1.00 2.65 C ATOM 668 CZ TYR B 103 7.618 3.655 2.366 1.00 2.31 C ATOM 669 OH TYR B 103 6.247 3.743 2.291 1.00 2.31 O ATOM 0 H TYR B 103 14.279 3.236 2.559 1.00 3.24 H new ATOM 0 HA TYR B 103 12.239 1.296 2.811 1.00 2.85 H new ATOM 0 HB2 TYR B 103 12.176 3.607 3.674 1.00 2.82 H new ATOM 0 HB3 TYR B 103 12.307 4.245 2.047 1.00 2.82 H new ATOM 0 HD1 TYR B 103 10.028 2.022 4.055 1.00 2.69 H new ATOM 0 HD2 TYR B 103 10.394 4.966 1.002 1.00 2.76 H new ATOM 0 HE1 TYR B 103 7.582 2.180 3.913 1.00 2.58 H new ATOM 0 HE2 TYR B 103 7.952 5.114 0.840 1.00 2.65 H new ATOM 0 HH TYR B 103 5.977 4.684 2.332 1.00 2.31 H new ATOM 679 N LEU B 104 12.850 2.278 -0.247 1.00 2.70 N ATOM 680 CA LEU B 104 12.511 2.062 -1.651 1.00 2.55 C ATOM 681 C LEU B 104 12.625 0.583 -2.058 1.00 2.53 C ATOM 682 O LEU B 104 11.656 0.009 -2.557 1.00 2.25 O ATOM 683 CB LEU B 104 13.405 2.940 -2.535 1.00 2.85 C ATOM 684 CG LEU B 104 13.252 2.743 -4.042 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.836 3.078 -4.487 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.270 3.595 -4.781 1.00 3.18 C ATOM 0 H LEU B 104 13.680 2.854 -0.105 1.00 2.70 H new ATOM 0 HA LEU B 104 11.468 2.345 -1.792 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.200 3.985 -2.302 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.445 2.752 -2.267 1.00 2.85 H new ATOM 0 HG LEU B 104 13.437 1.696 -4.281 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.749 2.931 -5.564 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.129 2.426 -3.973 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.614 4.117 -4.244 1.00 2.46 H new ATOM 0 HD21 LEU B 104 14.155 3.449 -5.855 1.00 3.18 H new ATOM 0 HD22 LEU B 104 14.110 4.645 -4.538 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.276 3.302 -4.481 1.00 3.18 H new ATOM 698 N PRO B 105 13.796 -0.067 -1.861 1.00 2.88 N ATOM 699 CA PRO B 105 13.968 -1.484 -2.207 1.00 2.95 C ATOM 700 C PRO B 105 13.026 -2.374 -1.403 1.00 2.65 C ATOM 701 O PRO B 105 12.622 -3.445 -1.853 1.00 2.62 O ATOM 702 CB PRO B 105 15.433 -1.773 -1.861 1.00 3.43 C ATOM 703 CG PRO B 105 15.792 -0.720 -0.875 1.00 3.51 C ATOM 704 CD PRO B 105 15.040 0.501 -1.311 1.00 3.28 C ATOM 0 HA PRO B 105 13.734 -1.688 -3.252 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.553 -2.771 -1.439 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.068 -1.723 -2.746 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.511 -1.015 0.136 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.867 -0.538 -0.867 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.844 1.175 -0.477 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.591 1.071 -2.059 1.00 3.28 H new ATOM 712 N GLU B 106 12.678 -1.917 -0.214 1.00 2.53 N ATOM 713 CA GLU B 106 11.689 -2.594 0.602 1.00 2.35 C ATOM 714 C GLU B 106 10.347 -2.642 -0.118 1.00 1.89 C ATOM 715 O GLU B 106 9.693 -3.682 -0.175 1.00 1.84 O ATOM 716 CB GLU B 106 11.516 -1.824 1.905 1.00 2.43 C ATOM 717 CG GLU B 106 12.667 -1.978 2.876 1.00 2.88 C ATOM 718 CD GLU B 106 12.478 -3.153 3.802 1.00 3.33 C ATOM 719 OE1 GLU B 106 11.705 -3.011 4.776 1.00 3.62 O ATOM 720 OE2 GLU B 106 13.101 -4.209 3.569 1.00 3.71 O ATOM 0 H GLU B 106 13.069 -1.075 0.209 1.00 2.53 H new ATOM 0 HA GLU B 106 12.027 -3.612 0.797 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.389 -0.766 1.674 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.599 -2.156 2.391 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.596 -2.102 2.319 1.00 2.88 H new ATOM 0 HG3 GLU B 106 12.768 -1.066 3.465 1.00 2.88 H new ATOM 727 N LEU B 107 9.956 -1.500 -0.669 1.00 1.63 N ATOM 728 CA LEU B 107 8.693 -1.383 -1.382 1.00 1.23 C ATOM 729 C LEU B 107 8.674 -2.271 -2.612 1.00 1.08 C ATOM 730 O LEU B 107 7.707 -2.981 -2.850 1.00 0.96 O ATOM 731 CB LEU B 107 8.458 0.055 -1.813 1.00 1.21 C ATOM 732 CG LEU B 107 8.271 1.052 -0.681 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.283 2.462 -1.227 1.00 1.42 C ATOM 734 CD2 LEU B 107 6.971 0.777 0.053 1.00 1.19 C ATOM 0 H LEU B 107 10.500 -0.638 -0.635 1.00 1.63 H new ATOM 0 HA LEU B 107 7.903 -1.699 -0.701 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.303 0.377 -2.422 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.575 0.086 -2.451 1.00 1.21 H new ATOM 0 HG LEU B 107 9.094 0.944 0.025 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.148 3.170 -0.409 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.236 2.653 -1.719 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.473 2.580 -1.946 1.00 1.42 H new ATOM 0 HD21 LEU B 107 6.850 1.498 0.861 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.135 0.866 -0.641 1.00 1.19 H new ATOM 0 HD23 LEU B 107 6.993 -0.231 0.467 1.00 1.19 H new ATOM 746 N MET B 108 9.759 -2.239 -3.376 1.00 1.26 N ATOM 747 CA MET B 108 9.848 -3.026 -4.605 1.00 1.26 C ATOM 748 C MET B 108 9.834 -4.523 -4.306 1.00 1.17 C ATOM 749 O MET B 108 9.265 -5.305 -5.064 1.00 1.13 O ATOM 750 CB MET B 108 11.098 -2.649 -5.419 1.00 1.64 C ATOM 751 CG MET B 108 12.422 -3.025 -4.785 1.00 1.96 C ATOM 752 SD MET B 108 13.838 -2.518 -5.780 1.00 2.39 S ATOM 753 CE MET B 108 13.571 -0.749 -5.884 1.00 2.67 C ATOM 0 H MET B 108 10.587 -1.680 -3.170 1.00 1.26 H new ATOM 0 HA MET B 108 8.969 -2.792 -5.206 1.00 1.26 H new ATOM 0 HB2 MET B 108 11.033 -3.128 -6.396 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.089 -1.573 -5.590 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.492 -2.565 -3.799 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.455 -4.104 -4.636 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.527 -0.232 -5.807 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.104 -0.507 -6.839 1.00 2.67 H new ATOM 0 HE3 MET B 108 12.919 -0.431 -5.070 1.00 2.67 H new ATOM 763 N ALA B 109 10.445 -4.919 -3.194 1.00 1.27 N ATOM 764 CA ALA B 109 10.485 -6.329 -2.825 1.00 1.30 C ATOM 765 C ALA B 109 9.099 -6.825 -2.420 1.00 0.99 C ATOM 766 O ALA B 109 8.655 -7.879 -2.876 1.00 1.01 O ATOM 767 CB ALA B 109 11.497 -6.562 -1.713 1.00 1.60 C ATOM 0 H ALA B 109 10.914 -4.292 -2.540 1.00 1.27 H new ATOM 0 HA ALA B 109 10.802 -6.902 -3.696 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.513 -7.620 -1.451 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.487 -6.257 -2.052 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.217 -5.976 -0.838 1.00 1.60 H new ATOM 773 N GLU B 110 8.417 -6.053 -1.583 1.00 0.80 N ATOM 774 CA GLU B 110 7.052 -6.401 -1.183 1.00 0.62 C ATOM 775 C GLU B 110 6.126 -6.305 -2.398 1.00 0.45 C ATOM 776 O GLU B 110 5.238 -7.123 -2.593 1.00 0.54 O ATOM 777 CB GLU B 110 6.559 -5.480 -0.065 1.00 0.56 C ATOM 778 CG GLU B 110 7.327 -5.634 1.238 1.00 0.60 C ATOM 779 CD GLU B 110 6.754 -4.784 2.356 1.00 0.83 C ATOM 780 OE1 GLU B 110 7.427 -4.624 3.398 1.00 1.49 O ATOM 781 OE2 GLU B 110 5.627 -4.279 2.206 1.00 1.48 O ATOM 0 H GLU B 110 8.777 -5.192 -1.171 1.00 0.80 H new ATOM 0 HA GLU B 110 7.046 -7.422 -0.802 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.633 -4.445 -0.400 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.504 -5.681 0.120 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.316 -6.681 1.540 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.369 -5.360 1.076 1.00 0.60 H new ATOM 788 N LYS B 111 6.391 -5.288 -3.200 1.00 0.41 N ATOM 789 CA LYS B 111 5.613 -5.071 -4.422 1.00 0.46 C ATOM 790 C LYS B 111 5.630 -6.305 -5.329 1.00 0.47 C ATOM 791 O LYS B 111 4.586 -6.812 -5.722 1.00 0.52 O ATOM 792 CB LYS B 111 6.148 -3.849 -5.180 1.00 0.63 C ATOM 793 CG LYS B 111 5.830 -3.840 -6.666 1.00 0.79 C ATOM 794 CD LYS B 111 6.330 -2.568 -7.327 1.00 0.89 C ATOM 795 CE LYS B 111 6.374 -2.694 -8.837 1.00 1.15 C ATOM 796 NZ LYS B 111 7.490 -3.567 -9.294 1.00 1.89 N ATOM 0 H LYS B 111 7.129 -4.603 -3.036 1.00 0.41 H new ATOM 0 HA LYS B 111 4.579 -4.888 -4.130 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.735 -2.947 -4.728 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.230 -3.803 -5.053 1.00 0.63 H new ATOM 0 HG2 LYS B 111 6.289 -4.706 -7.144 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.753 -3.929 -6.811 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.681 -1.737 -7.051 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.327 -2.332 -6.953 1.00 0.89 H new ATOM 0 HE2 LYS B 111 5.427 -3.100 -9.194 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.484 -1.704 -9.280 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 7.192 -4.099 -10.136 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 8.316 -2.980 -9.529 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 7.743 -4.232 -8.536 1.00 1.89 H new ATOM 810 N ASP B 112 6.809 -6.799 -5.642 1.00 0.49 N ATOM 811 CA ASP B 112 6.922 -7.902 -6.592 1.00 0.58 C ATOM 812 C ASP B 112 6.636 -9.257 -5.949 1.00 0.53 C ATOM 813 O ASP B 112 6.550 -10.269 -6.641 1.00 0.63 O ATOM 814 CB ASP B 112 8.284 -7.894 -7.277 1.00 0.72 C ATOM 815 CG ASP B 112 8.324 -6.898 -8.418 1.00 2.65 C ATOM 816 OD1 ASP B 112 8.050 -7.299 -9.569 1.00 3.03 O ATOM 817 OD2 ASP B 112 8.587 -5.702 -8.166 1.00 3.08 O ATOM 0 H ASP B 112 7.695 -6.465 -5.263 1.00 0.49 H new ATOM 0 HA ASP B 112 6.155 -7.747 -7.351 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.057 -7.647 -6.549 1.00 0.72 H new ATOM 0 HB3 ASP B 112 8.509 -8.891 -7.655 1.00 0.72 H new ATOM 822 N SER B 113 6.486 -9.276 -4.636 1.00 0.44 N ATOM 823 CA SER B 113 6.195 -10.512 -3.926 1.00 0.43 C ATOM 824 C SER B 113 4.726 -10.579 -3.511 1.00 0.35 C ATOM 825 O SER B 113 4.221 -11.637 -3.133 1.00 0.40 O ATOM 826 CB SER B 113 7.096 -10.619 -2.700 1.00 0.44 C ATOM 827 OG SER B 113 8.465 -10.591 -3.074 1.00 0.55 O ATOM 0 H SER B 113 6.560 -8.452 -4.040 1.00 0.44 H new ATOM 0 HA SER B 113 6.389 -11.350 -4.595 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.885 -9.797 -2.016 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.880 -11.543 -2.164 1.00 0.44 H new ATOM 0 HG SER B 113 8.784 -9.664 -3.078 1.00 0.55 H new ATOM 833 N LEU B 114 4.048 -9.447 -3.596 1.00 0.27 N ATOM 834 CA LEU B 114 2.667 -9.332 -3.154 1.00 0.23 C ATOM 835 C LEU B 114 1.720 -9.915 -4.199 1.00 0.27 C ATOM 836 O LEU B 114 1.968 -9.821 -5.402 1.00 0.30 O ATOM 837 CB LEU B 114 2.332 -7.862 -2.897 1.00 0.17 C ATOM 838 CG LEU B 114 1.117 -7.602 -2.005 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.466 -7.811 -0.539 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.594 -6.199 -2.221 1.00 0.16 C ATOM 0 H LEU B 114 4.438 -8.583 -3.972 1.00 0.27 H new ATOM 0 HA LEU B 114 2.543 -9.896 -2.229 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.201 -7.385 -2.443 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.165 -7.374 -3.857 1.00 0.17 H new ATOM 0 HG LEU B 114 0.338 -8.314 -2.278 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.586 -7.620 0.075 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.799 -8.838 -0.387 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.263 -7.125 -0.253 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.270 -6.030 -1.579 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.374 -5.478 -1.976 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.301 -6.076 -3.264 1.00 0.16 H new ATOM 852 N ASP B 115 0.647 -10.539 -3.730 1.00 0.29 N ATOM 853 CA ASP B 115 -0.337 -11.148 -4.618 1.00 0.34 C ATOM 854 C ASP B 115 -1.151 -10.069 -5.326 1.00 0.33 C ATOM 855 O ASP B 115 -1.667 -9.152 -4.686 1.00 0.29 O ATOM 856 CB ASP B 115 -1.270 -12.060 -3.821 1.00 0.37 C ATOM 857 CG ASP B 115 -2.074 -12.987 -4.710 1.00 0.49 C ATOM 858 OD1 ASP B 115 -1.694 -14.170 -4.826 1.00 1.23 O ATOM 859 OD2 ASP B 115 -3.086 -12.548 -5.290 1.00 1.21 O ATOM 0 H ASP B 115 0.435 -10.637 -2.737 1.00 0.29 H new ATOM 0 HA ASP B 115 0.190 -11.741 -5.366 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.682 -12.653 -3.121 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.951 -11.449 -3.228 1.00 0.37 H new ATOM 864 N PRO B 116 -1.285 -10.178 -6.659 1.00 0.41 N ATOM 865 CA PRO B 116 -1.962 -9.172 -7.489 1.00 0.46 C ATOM 866 C PRO B 116 -3.450 -9.029 -7.168 1.00 0.42 C ATOM 867 O PRO B 116 -4.072 -8.037 -7.551 1.00 0.47 O ATOM 868 CB PRO B 116 -1.771 -9.689 -8.917 1.00 0.55 C ATOM 869 CG PRO B 116 -1.541 -11.148 -8.759 1.00 0.55 C ATOM 870 CD PRO B 116 -0.781 -11.297 -7.472 1.00 0.50 C ATOM 0 HA PRO B 116 -1.547 -8.178 -7.320 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.649 -9.490 -9.531 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -0.925 -9.205 -9.404 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.485 -11.692 -8.723 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -0.973 -11.549 -9.599 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.974 -12.259 -6.998 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.296 -11.229 -7.629 1.00 0.50 H new ATOM 878 N SER B 117 -4.013 -10.017 -6.471 1.00 0.36 N ATOM 879 CA SER B 117 -5.423 -9.975 -6.094 1.00 0.37 C ATOM 880 C SER B 117 -5.697 -8.795 -5.166 1.00 0.38 C ATOM 881 O SER B 117 -6.838 -8.356 -5.018 1.00 0.56 O ATOM 882 CB SER B 117 -5.842 -11.282 -5.417 1.00 0.37 C ATOM 883 OG SER B 117 -7.231 -11.295 -5.129 1.00 1.30 O ATOM 0 H SER B 117 -3.516 -10.851 -6.158 1.00 0.36 H new ATOM 0 HA SER B 117 -6.011 -9.849 -7.003 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.595 -12.124 -6.064 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.277 -11.413 -4.494 1.00 0.37 H new ATOM 0 HG SER B 117 -7.468 -12.143 -4.699 1.00 1.30 H new ATOM 889 N PHE B 118 -4.650 -8.288 -4.538 1.00 0.28 N ATOM 890 CA PHE B 118 -4.772 -7.109 -3.705 1.00 0.32 C ATOM 891 C PHE B 118 -4.452 -5.879 -4.534 1.00 0.44 C ATOM 892 O PHE B 118 -3.338 -5.363 -4.495 1.00 0.94 O ATOM 893 CB PHE B 118 -3.839 -7.197 -2.501 1.00 0.27 C ATOM 894 CG PHE B 118 -4.050 -8.430 -1.676 1.00 0.23 C ATOM 895 CD1 PHE B 118 -4.838 -8.390 -0.540 1.00 1.22 C ATOM 896 CD2 PHE B 118 -3.455 -9.625 -2.035 1.00 1.21 C ATOM 897 CE1 PHE B 118 -5.028 -9.523 0.223 1.00 1.21 C ATOM 898 CE2 PHE B 118 -3.643 -10.761 -1.280 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.431 -10.711 -0.146 1.00 0.28 C ATOM 0 H PHE B 118 -3.708 -8.675 -4.590 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.793 -7.040 -3.331 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.806 -7.173 -2.848 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -3.985 -6.318 -1.872 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -5.309 -7.463 -0.248 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -2.835 -9.668 -2.918 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -5.644 -9.480 1.109 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -3.176 -11.689 -1.574 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.579 -11.599 0.450 1.00 0.28 H new ATOM 909 N THR B 119 -5.445 -5.418 -5.276 1.00 0.39 N ATOM 910 CA THR B 119 -5.263 -4.331 -6.219 1.00 0.39 C ATOM 911 C THR B 119 -4.758 -3.065 -5.538 1.00 0.41 C ATOM 912 O THR B 119 -3.774 -2.470 -5.968 1.00 0.45 O ATOM 913 CB THR B 119 -6.578 -4.023 -6.955 1.00 0.44 C ATOM 914 OG1 THR B 119 -6.991 -5.171 -7.706 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.418 -2.825 -7.879 1.00 0.45 C ATOM 0 H THR B 119 -6.396 -5.786 -5.241 1.00 0.39 H new ATOM 0 HA THR B 119 -4.510 -4.658 -6.936 1.00 0.39 H new ATOM 0 HB THR B 119 -7.340 -3.780 -6.214 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.830 -4.972 -8.172 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.362 -2.629 -8.387 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.132 -1.951 -7.295 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.645 -3.036 -8.618 1.00 0.45 H new ATOM 923 N HIS B 120 -5.429 -2.664 -4.473 1.00 0.44 N ATOM 924 CA HIS B 120 -5.103 -1.419 -3.796 1.00 0.51 C ATOM 925 C HIS B 120 -3.769 -1.520 -3.071 1.00 0.47 C ATOM 926 O HIS B 120 -2.968 -0.591 -3.110 1.00 0.57 O ATOM 927 CB HIS B 120 -6.221 -1.033 -2.837 1.00 0.60 C ATOM 928 CG HIS B 120 -7.541 -0.899 -3.524 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.754 -0.063 -4.598 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.707 -1.540 -3.312 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.998 -0.206 -5.022 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.599 -1.098 -4.259 1.00 1.47 N ATOM 0 H HIS B 120 -6.203 -3.182 -4.057 1.00 0.44 H new ATOM 0 HA HIS B 120 -5.007 -0.635 -4.547 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.298 -1.785 -2.052 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.970 -0.090 -2.352 1.00 0.60 H new ATOM 0 HD2 HIS B 120 -8.904 -2.268 -2.539 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.446 0.319 -5.853 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.566 -1.408 -4.356 1.00 1.47 H new ATOM 941 N ALA B 121 -3.537 -2.655 -2.422 1.00 0.37 N ATOM 942 CA ALA B 121 -2.264 -2.922 -1.761 1.00 0.33 C ATOM 943 C ALA B 121 -1.126 -2.857 -2.764 1.00 0.38 C ATOM 944 O ALA B 121 -0.064 -2.293 -2.498 1.00 0.47 O ATOM 945 CB ALA B 121 -2.296 -4.286 -1.096 1.00 0.27 C ATOM 0 H ALA B 121 -4.218 -3.410 -2.339 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.101 -2.161 -0.997 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.341 -4.474 -0.606 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.095 -4.311 -0.355 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.475 -5.054 -1.849 1.00 0.27 H new ATOM 951 N MET B 122 -1.385 -3.415 -3.932 1.00 0.35 N ATOM 952 CA MET B 122 -0.423 -3.425 -5.019 1.00 0.34 C ATOM 953 C MET B 122 -0.250 -2.026 -5.593 1.00 0.38 C ATOM 954 O MET B 122 0.860 -1.608 -5.929 1.00 0.41 O ATOM 955 CB MET B 122 -0.883 -4.402 -6.103 1.00 0.37 C ATOM 956 CG MET B 122 -0.563 -5.856 -5.798 1.00 0.38 C ATOM 957 SD MET B 122 1.064 -6.366 -6.398 1.00 0.49 S ATOM 958 CE MET B 122 2.132 -5.192 -5.577 1.00 0.63 C ATOM 0 H MET B 122 -2.268 -3.874 -4.154 1.00 0.35 H new ATOM 0 HA MET B 122 0.544 -3.752 -4.636 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.959 -4.298 -6.239 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.414 -4.128 -7.048 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.612 -6.014 -4.721 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.325 -6.492 -6.249 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.168 -5.387 -5.854 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.860 -4.180 -5.878 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.021 -5.292 -4.497 1.00 0.63 H new ATOM 968 N GLN B 123 -1.354 -1.304 -5.676 1.00 0.44 N ATOM 969 CA GLN B 123 -1.349 0.053 -6.204 1.00 0.53 C ATOM 970 C GLN B 123 -0.613 1.007 -5.271 1.00 0.54 C ATOM 971 O GLN B 123 0.200 1.811 -5.726 1.00 0.62 O ATOM 972 CB GLN B 123 -2.785 0.521 -6.460 1.00 0.65 C ATOM 973 CG GLN B 123 -2.949 2.027 -6.570 1.00 0.83 C ATOM 974 CD GLN B 123 -4.396 2.463 -6.431 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.320 1.709 -6.744 1.00 1.60 O ATOM 976 NE2 GLN B 123 -4.602 3.681 -5.957 1.00 1.76 N ATOM 0 H GLN B 123 -2.273 -1.636 -5.383 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.811 0.053 -7.152 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.144 0.061 -7.381 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.421 0.157 -5.653 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.351 2.512 -5.799 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.562 2.363 -7.532 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -3.809 4.273 -5.710 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.554 4.028 -5.839 1.00 1.76 H new ATOM 985 N LEU B 124 -0.876 0.917 -3.980 1.00 0.49 N ATOM 986 CA LEU B 124 -0.254 1.822 -3.025 1.00 0.50 C ATOM 987 C LEU B 124 1.249 1.570 -2.934 1.00 0.45 C ATOM 988 O LEU B 124 2.035 2.504 -2.783 1.00 0.52 O ATOM 989 CB LEU B 124 -0.946 1.723 -1.668 1.00 0.50 C ATOM 990 CG LEU B 124 -2.420 2.139 -1.692 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.135 1.661 -0.438 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.543 3.649 -1.827 1.00 0.83 C ATOM 0 H LEU B 124 -1.511 0.233 -3.569 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.379 2.846 -3.377 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.874 0.697 -1.308 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.413 2.350 -0.953 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.893 1.671 -2.556 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.180 1.967 -0.476 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -3.077 0.574 -0.378 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.661 2.098 0.440 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.596 3.928 -1.843 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -2.052 4.131 -0.982 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.069 3.971 -2.754 1.00 0.83 H new ATOM 1004 N LEU B 125 1.643 0.305 -3.058 1.00 0.37 N ATOM 1005 CA LEU B 125 3.059 -0.052 -3.108 1.00 0.35 C ATOM 1006 C LEU B 125 3.693 0.555 -4.349 1.00 0.46 C ATOM 1007 O LEU B 125 4.816 1.046 -4.310 1.00 0.52 O ATOM 1008 CB LEU B 125 3.242 -1.568 -3.159 1.00 0.28 C ATOM 1009 CG LEU B 125 3.217 -2.301 -1.823 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.134 -3.793 -2.071 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.463 -1.977 -1.017 1.00 0.33 C ATOM 0 H LEU B 125 1.005 -0.488 -3.126 1.00 0.37 H new ATOM 0 HA LEU B 125 3.536 0.333 -2.207 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.459 -1.985 -3.792 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.193 -1.781 -3.647 1.00 0.28 H new ATOM 0 HG LEU B 125 2.345 -1.977 -1.255 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.116 -4.320 -1.117 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.225 -4.019 -2.628 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.002 -4.115 -2.647 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.429 -2.508 -0.066 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.347 -2.286 -1.574 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.508 -0.904 -0.832 1.00 0.33 H new ATOM 1023 N THR B 126 2.944 0.536 -5.438 1.00 0.55 N ATOM 1024 CA THR B 126 3.457 1.032 -6.701 1.00 0.74 C ATOM 1025 C THR B 126 3.624 2.548 -6.651 1.00 0.92 C ATOM 1026 O THR B 126 4.670 3.084 -7.025 1.00 1.07 O ATOM 1027 CB THR B 126 2.522 0.640 -7.862 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.470 -0.788 -7.980 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.984 1.252 -9.175 1.00 0.91 C ATOM 0 H THR B 126 1.987 0.185 -5.473 1.00 0.55 H new ATOM 0 HA THR B 126 4.432 0.577 -6.873 1.00 0.74 H new ATOM 0 HB THR B 126 1.527 1.026 -7.643 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.831 -1.147 -7.329 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.304 0.956 -9.974 1.00 0.91 H new ATOM 0 HG22 THR B 126 2.991 2.338 -9.088 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.989 0.900 -9.406 1.00 0.91 H new ATOM 1037 N ALA B 127 2.598 3.219 -6.147 1.00 0.96 N ATOM 1038 CA ALA B 127 2.577 4.671 -6.079 1.00 1.09 C ATOM 1039 C ALA B 127 3.696 5.219 -5.199 1.00 1.18 C ATOM 1040 O ALA B 127 4.367 6.184 -5.565 1.00 1.38 O ATOM 1041 CB ALA B 127 1.227 5.136 -5.564 1.00 1.18 C ATOM 0 H ALA B 127 1.760 2.773 -5.775 1.00 0.96 H new ATOM 0 HA ALA B 127 2.741 5.057 -7.085 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.212 6.225 -5.513 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.443 4.793 -6.239 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.055 4.724 -4.569 1.00 1.18 H new ATOM 1047 N GLU B 128 3.884 4.611 -4.030 1.00 1.12 N ATOM 1048 CA GLU B 128 4.922 5.057 -3.105 1.00 1.31 C ATOM 1049 C GLU B 128 6.298 4.932 -3.744 1.00 1.38 C ATOM 1050 O GLU B 128 7.165 5.785 -3.561 1.00 1.62 O ATOM 1051 CB GLU B 128 4.885 4.255 -1.811 1.00 1.35 C ATOM 1052 CG GLU B 128 5.743 4.857 -0.712 1.00 1.46 C ATOM 1053 CD GLU B 128 5.233 6.208 -0.252 1.00 1.46 C ATOM 1054 OE1 GLU B 128 4.201 6.252 0.448 1.00 2.01 O ATOM 1055 OE2 GLU B 128 5.859 7.231 -0.579 1.00 1.95 O ATOM 0 H GLU B 128 3.336 3.815 -3.703 1.00 1.12 H new ATOM 0 HA GLU B 128 4.729 6.104 -2.872 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.854 4.186 -1.463 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.222 3.238 -2.011 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.771 4.174 0.137 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.767 4.962 -1.071 1.00 1.46 H new ATOM 1062 N ILE B 129 6.479 3.870 -4.517 1.00 1.24 N ATOM 1063 CA ILE B 129 7.723 3.673 -5.233 1.00 1.42 C ATOM 1064 C ILE B 129 7.930 4.790 -6.243 1.00 1.64 C ATOM 1065 O ILE B 129 9.019 5.342 -6.338 1.00 1.92 O ATOM 1066 CB ILE B 129 7.775 2.300 -5.931 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.764 1.200 -4.878 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.013 2.179 -6.814 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.693 -0.188 -5.453 1.00 1.01 C ATOM 0 H ILE B 129 5.783 3.138 -4.661 1.00 1.24 H new ATOM 0 HA ILE B 129 8.531 3.697 -4.502 1.00 1.42 H new ATOM 0 HB ILE B 129 6.900 2.199 -6.573 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.663 1.285 -4.267 1.00 1.14 H new ATOM 0 HG13 ILE B 129 6.913 1.353 -4.215 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.023 1.200 -7.294 1.00 1.59 H new ATOM 0 HG22 ILE B 129 8.993 2.957 -7.577 1.00 1.59 H new ATOM 0 HG23 ILE B 129 9.908 2.293 -6.203 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.689 -0.918 -4.643 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.780 -0.292 -6.040 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.558 -0.361 -6.093 1.00 1.01 H new ATOM 1081 N GLU B 130 6.862 5.152 -6.949 1.00 1.55 N ATOM 1082 CA GLU B 130 6.909 6.235 -7.929 1.00 1.76 C ATOM 1083 C GLU B 130 7.368 7.533 -7.269 1.00 1.94 C ATOM 1084 O GLU B 130 8.154 8.291 -7.837 1.00 2.19 O ATOM 1085 CB GLU B 130 5.528 6.439 -8.560 1.00 1.67 C ATOM 1086 CG GLU B 130 5.026 5.236 -9.339 1.00 1.60 C ATOM 1087 CD GLU B 130 3.708 5.503 -10.034 1.00 1.81 C ATOM 1088 OE1 GLU B 130 2.657 5.479 -9.363 1.00 2.25 O ATOM 1089 OE2 GLU B 130 3.716 5.743 -11.262 1.00 2.16 O ATOM 0 H GLU B 130 5.948 4.708 -6.860 1.00 1.55 H new ATOM 0 HA GLU B 130 7.622 5.962 -8.707 1.00 1.76 H new ATOM 0 HB2 GLU B 130 4.811 6.676 -7.774 1.00 1.67 H new ATOM 0 HB3 GLU B 130 5.567 7.301 -9.226 1.00 1.67 H new ATOM 0 HG2 GLU B 130 5.772 4.950 -10.080 1.00 1.60 H new ATOM 0 HG3 GLU B 130 4.910 4.391 -8.661 1.00 1.60 H new ATOM 1096 N LYS B 131 6.882 7.758 -6.053 1.00 1.85 N ATOM 1097 CA LYS B 131 7.223 8.949 -5.283 1.00 2.07 C ATOM 1098 C LYS B 131 8.716 9.001 -4.970 1.00 2.28 C ATOM 1099 O LYS B 131 9.340 10.056 -5.058 1.00 2.53 O ATOM 1100 CB LYS B 131 6.423 8.977 -3.981 1.00 2.03 C ATOM 1101 CG LYS B 131 4.921 9.110 -4.183 1.00 2.33 C ATOM 1102 CD LYS B 131 4.168 8.849 -2.891 1.00 2.59 C ATOM 1103 CE LYS B 131 4.604 9.795 -1.785 1.00 3.17 C ATOM 1104 NZ LYS B 131 4.089 9.362 -0.462 1.00 3.73 N ATOM 0 H LYS B 131 6.243 7.123 -5.575 1.00 1.85 H new ATOM 0 HA LYS B 131 6.971 9.821 -5.887 1.00 2.07 H new ATOM 0 HB2 LYS B 131 6.625 8.063 -3.422 1.00 2.03 H new ATOM 0 HB3 LYS B 131 6.772 9.809 -3.369 1.00 2.03 H new ATOM 0 HG2 LYS B 131 4.688 10.110 -4.547 1.00 2.33 H new ATOM 0 HG3 LYS B 131 4.591 8.407 -4.948 1.00 2.33 H new ATOM 0 HD2 LYS B 131 3.098 8.961 -3.065 1.00 2.59 H new ATOM 0 HD3 LYS B 131 4.334 7.819 -2.575 1.00 2.59 H new ATOM 0 HE2 LYS B 131 5.693 9.843 -1.755 1.00 3.17 H new ATOM 0 HE3 LYS B 131 4.246 10.801 -2.004 1.00 3.17 H new ATOM 0 HZ1 LYS B 131 4.071 10.175 0.186 1.00 3.73 H new ATOM 0 HZ2 LYS B 131 3.126 8.984 -0.571 1.00 3.73 H new ATOM 0 HZ3 LYS B 131 4.709 8.623 -0.073 1.00 3.73 H new ATOM 1118 N ILE B 132 9.284 7.869 -4.585 1.00 2.21 N ATOM 1119 CA ILE B 132 10.713 7.802 -4.322 1.00 2.47 C ATOM 1120 C ILE B 132 11.511 7.798 -5.630 1.00 2.68 C ATOM 1121 O ILE B 132 12.552 8.444 -5.736 1.00 2.98 O ATOM 1122 CB ILE B 132 11.074 6.548 -3.512 1.00 2.40 C ATOM 1123 CG1 ILE B 132 10.062 6.324 -2.388 1.00 2.18 C ATOM 1124 CG2 ILE B 132 12.480 6.671 -2.942 1.00 2.72 C ATOM 1125 CD1 ILE B 132 10.400 5.154 -1.497 1.00 2.19 C ATOM 0 H ILE B 132 8.783 6.991 -4.449 1.00 2.21 H new ATOM 0 HA ILE B 132 10.972 8.687 -3.741 1.00 2.47 H new ATOM 0 HB ILE B 132 11.043 5.687 -4.180 1.00 2.40 H new ATOM 0 HG12 ILE B 132 10.000 7.227 -1.781 1.00 2.18 H new ATOM 0 HG13 ILE B 132 9.076 6.165 -2.824 1.00 2.18 H new ATOM 0 HG21 ILE B 132 12.721 5.774 -2.371 1.00 2.72 H new ATOM 0 HG22 ILE B 132 13.194 6.784 -3.757 1.00 2.72 H new ATOM 0 HG23 ILE B 132 12.533 7.542 -2.289 1.00 2.72 H new ATOM 0 HD11 ILE B 132 9.639 5.055 -0.723 1.00 2.19 H new ATOM 0 HD12 ILE B 132 10.433 4.241 -2.092 1.00 2.19 H new ATOM 0 HD13 ILE B 132 11.372 5.320 -1.032 1.00 2.19 H new ATOM 1137 N GLN B 133 11.005 7.069 -6.626 1.00 2.56 N ATOM 1138 CA GLN B 133 11.670 6.948 -7.930 1.00 2.81 C ATOM 1139 C GLN B 133 11.874 8.308 -8.583 1.00 2.97 C ATOM 1140 O GLN B 133 12.915 8.565 -9.192 1.00 3.27 O ATOM 1141 CB GLN B 133 10.856 6.059 -8.876 1.00 2.72 C ATOM 1142 CG GLN B 133 10.854 4.587 -8.500 1.00 2.73 C ATOM 1143 CD GLN B 133 12.171 3.897 -8.778 1.00 2.94 C ATOM 1144 OE1 GLN B 133 12.394 3.378 -9.870 1.00 3.49 O ATOM 1145 NE2 GLN B 133 13.043 3.869 -7.789 1.00 2.90 N ATOM 0 H GLN B 133 10.130 6.549 -6.556 1.00 2.56 H new ATOM 0 HA GLN B 133 12.644 6.495 -7.748 1.00 2.81 H new ATOM 0 HB2 GLN B 133 9.827 6.418 -8.898 1.00 2.72 H new ATOM 0 HB3 GLN B 133 11.252 6.164 -9.886 1.00 2.72 H new ATOM 0 HG2 GLN B 133 10.617 4.490 -7.440 1.00 2.73 H new ATOM 0 HG3 GLN B 133 10.062 4.079 -9.051 1.00 2.73 H new ATOM 0 HE21 GLN B 133 12.818 4.312 -6.898 1.00 2.90 H new ATOM 0 HE22 GLN B 133 13.942 3.404 -7.915 1.00 2.90 H new ATOM 1154 N LYS B 134 10.874 9.173 -8.462 1.00 2.82 N ATOM 1155 CA LYS B 134 10.931 10.501 -9.070 1.00 3.02 C ATOM 1156 C LYS B 134 11.982 11.371 -8.389 1.00 3.29 C ATOM 1157 O LYS B 134 12.534 12.286 -9.003 1.00 3.54 O ATOM 1158 CB LYS B 134 9.570 11.203 -8.985 1.00 2.88 C ATOM 1159 CG LYS B 134 9.133 11.479 -7.559 1.00 2.84 C ATOM 1160 CD LYS B 134 7.943 12.415 -7.484 1.00 2.90 C ATOM 1161 CE LYS B 134 7.540 12.666 -6.038 1.00 3.30 C ATOM 1162 NZ LYS B 134 8.700 13.092 -5.202 1.00 3.82 N ATOM 0 H LYS B 134 10.014 8.981 -7.949 1.00 2.82 H new ATOM 0 HA LYS B 134 11.201 10.364 -10.117 1.00 3.02 H new ATOM 0 HB2 LYS B 134 9.618 12.144 -9.533 1.00 2.88 H new ATOM 0 HB3 LYS B 134 8.818 10.586 -9.477 1.00 2.88 H new ATOM 0 HG2 LYS B 134 8.881 10.537 -7.072 1.00 2.84 H new ATOM 0 HG3 LYS B 134 9.966 11.912 -7.005 1.00 2.84 H new ATOM 0 HD2 LYS B 134 8.188 13.361 -7.967 1.00 2.90 H new ATOM 0 HD3 LYS B 134 7.103 11.986 -8.031 1.00 2.90 H new ATOM 0 HE2 LYS B 134 6.767 13.434 -6.005 1.00 3.30 H new ATOM 0 HE3 LYS B 134 7.105 11.758 -5.620 1.00 3.30 H new ATOM 0 HZ1 LYS B 134 8.354 13.570 -4.345 1.00 3.82 H new ATOM 0 HZ2 LYS B 134 9.258 12.257 -4.931 1.00 3.82 H new ATOM 0 HZ3 LYS B 134 9.298 13.747 -5.746 1.00 3.82 H new ATOM 1176 N GLY B 135 12.256 11.078 -7.127 1.00 3.29 N ATOM 1177 CA GLY B 135 13.140 11.913 -6.351 1.00 3.59 C ATOM 1178 C GLY B 135 12.376 13.013 -5.644 1.00 4.02 C ATOM 1179 O GLY B 135 11.934 12.796 -4.502 1.00 4.46 O ATOM 1180 OXT GLY B 135 12.191 14.094 -6.239 1.00 4.40 O ATOM 0 H GLY B 135 11.879 10.273 -6.627 1.00 3.29 H new ATOM 0 HA2 GLY B 135 13.668 11.304 -5.617 1.00 3.59 H new ATOM 0 HA3 GLY B 135 13.895 12.352 -7.003 1.00 3.59 H new TER 1184 GLY B 135