USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -169:sc= 1.05 USER MOD Set 1.2: A 136 GLN : amide:sc= 0.0968 K(o=1.1,f=-2.8!) USER MOD Set 2.1: A 112 THR OG1 : rot 72:sc= -0.0797 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.0092 USER MOD Set 3.1: A 85 THR OG1 : rot 133:sc= 1.26 USER MOD Set 3.2: A 90 GLN : amide:sc= 0.252 K(o=1.5,f=0.87) USER MOD Single : A 84 ASN : amide:sc= -0.408 K(o=-0.41,f=0.46) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc=-0.00064 X(o=-0.00064,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 1.15 (180deg=1.11) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -13:sc= 0.983 USER MOD Single : A 99 SER OG : rot 131:sc= -1.69! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 114:sc= 1.19 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -10:sc= 0.975 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 123 CYS SG : rot -14:sc= -4.04! USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -2.9! K(o=-2.9!,f=-2.1) USER MOD Single : A 137 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.12) USER MOD Single : A 139 SER OG : rot 180:sc= 0.115 USER MOD Single : A 143 SER OG : rot 180:sc= -0.174 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -20.221 -8.347 -5.391 1.00 0.00 N ATOM 2 CA ASN A 84 -19.721 -6.965 -5.388 1.00 0.00 C ATOM 3 C ASN A 84 -18.400 -6.844 -6.142 1.00 0.00 C ATOM 4 O ASN A 84 -18.168 -5.850 -6.827 1.00 0.00 O ATOM 5 CB ASN A 84 -19.563 -6.411 -3.948 1.00 0.00 C ATOM 6 CG ASN A 84 -18.587 -7.205 -3.084 1.00 0.00 C ATOM 7 OD1 ASN A 84 -18.435 -8.422 -3.239 1.00 0.00 O ATOM 8 ND2 ASN A 84 -17.914 -6.537 -2.184 1.00 0.00 N ATOM 0 HA ASN A 84 -20.470 -6.364 -5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -19.226 -5.376 -4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -20.539 -6.403 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.242 -7.020 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -18.060 -5.533 -2.079 1.00 0.00 H new ATOM 17 N THR A 85 -17.540 -7.847 -6.034 1.00 0.00 N ATOM 18 CA THR A 85 -16.268 -7.813 -6.688 1.00 0.00 C ATOM 19 C THR A 85 -15.631 -9.195 -6.652 1.00 0.00 C ATOM 20 O THR A 85 -15.873 -9.978 -5.724 1.00 0.00 O ATOM 21 CB THR A 85 -15.324 -6.752 -6.050 1.00 0.00 C ATOM 22 OG1 THR A 85 -14.075 -6.711 -6.743 1.00 0.00 O ATOM 23 CG2 THR A 85 -15.080 -7.046 -4.586 1.00 0.00 C ATOM 0 H THR A 85 -17.715 -8.694 -5.493 1.00 0.00 H new ATOM 0 HA THR A 85 -16.426 -7.521 -7.726 1.00 0.00 H new ATOM 0 HB THR A 85 -15.815 -5.782 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.832 -5.779 -6.925 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.417 -6.288 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 85 -16.029 -7.034 -4.049 1.00 0.00 H new ATOM 0 HG23 THR A 85 -14.618 -8.028 -4.484 1.00 0.00 H new ATOM 31 N ALA A 86 -14.840 -9.503 -7.656 1.00 0.00 N ATOM 32 CA ALA A 86 -14.173 -10.782 -7.736 1.00 0.00 C ATOM 33 C ALA A 86 -12.851 -10.712 -6.997 1.00 0.00 C ATOM 34 O ALA A 86 -12.236 -11.741 -6.686 1.00 0.00 O ATOM 35 CB ALA A 86 -13.961 -11.187 -9.190 1.00 0.00 C ATOM 0 H ALA A 86 -14.642 -8.877 -8.436 1.00 0.00 H new ATOM 0 HA ALA A 86 -14.799 -11.541 -7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -13.457 -12.153 -9.229 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.926 -11.260 -9.692 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -13.348 -10.438 -9.691 1.00 0.00 H new ATOM 41 N ALA A 87 -12.421 -9.503 -6.714 1.00 0.00 N ATOM 42 CA ALA A 87 -11.204 -9.278 -5.996 1.00 0.00 C ATOM 43 C ALA A 87 -11.431 -8.242 -4.914 1.00 0.00 C ATOM 44 O ALA A 87 -11.572 -7.052 -5.194 1.00 0.00 O ATOM 45 CB ALA A 87 -10.093 -8.835 -6.938 1.00 0.00 C ATOM 0 H ALA A 87 -12.913 -8.650 -6.980 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.894 -10.214 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.178 -8.670 -6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.921 -9.608 -7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.384 -7.909 -7.434 1.00 0.00 H new ATOM 51 N SER A 88 -11.446 -8.680 -3.681 1.00 0.00 N ATOM 52 CA SER A 88 -11.676 -7.799 -2.551 1.00 0.00 C ATOM 53 C SER A 88 -10.396 -7.082 -2.136 1.00 0.00 C ATOM 54 O SER A 88 -10.369 -6.340 -1.165 1.00 0.00 O ATOM 55 CB SER A 88 -12.285 -8.572 -1.384 1.00 0.00 C ATOM 56 OG SER A 88 -13.535 -9.141 -1.759 1.00 0.00 O ATOM 0 H SER A 88 -11.300 -9.657 -3.426 1.00 0.00 H new ATOM 0 HA SER A 88 -12.389 -7.034 -2.858 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.602 -9.359 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.423 -7.906 -0.532 1.00 0.00 H new ATOM 0 HG SER A 88 -13.911 -9.634 -1.000 1.00 0.00 H new ATOM 62 N LEU A 89 -9.385 -7.217 -2.968 1.00 0.00 N ATOM 63 CA LEU A 89 -8.060 -6.648 -2.750 1.00 0.00 C ATOM 64 C LEU A 89 -8.077 -5.135 -3.115 1.00 0.00 C ATOM 65 O LEU A 89 -7.073 -4.462 -3.192 1.00 0.00 O ATOM 66 CB LEU A 89 -7.049 -7.486 -3.579 1.00 0.00 C ATOM 67 CG LEU A 89 -5.566 -7.472 -3.155 1.00 0.00 C ATOM 68 CD1 LEU A 89 -4.885 -8.705 -3.689 1.00 0.00 C ATOM 69 CD2 LEU A 89 -4.850 -6.262 -3.695 1.00 0.00 C ATOM 0 H LEU A 89 -9.458 -7.739 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.754 -6.696 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.388 -8.522 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.102 -7.144 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.529 -7.445 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.836 -8.699 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.372 -9.593 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.954 -8.716 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.808 -6.284 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.898 -6.267 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.326 -5.358 -3.315 1.00 0.00 H new ATOM 81 N GLN A 90 -9.244 -4.627 -3.329 1.00 0.00 N ATOM 82 CA GLN A 90 -9.430 -3.210 -3.558 1.00 0.00 C ATOM 83 C GLN A 90 -10.071 -2.578 -2.331 1.00 0.00 C ATOM 84 O GLN A 90 -10.348 -1.384 -2.295 1.00 0.00 O ATOM 85 CB GLN A 90 -10.257 -2.952 -4.817 1.00 0.00 C ATOM 86 CG GLN A 90 -11.627 -3.610 -4.826 1.00 0.00 C ATOM 87 CD GLN A 90 -12.409 -3.340 -6.101 1.00 0.00 C ATOM 88 OE1 GLN A 90 -13.196 -4.173 -6.537 1.00 0.00 O ATOM 89 NE2 GLN A 90 -12.213 -2.191 -6.705 1.00 0.00 N ATOM 0 H GLN A 90 -10.105 -5.173 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.456 -2.749 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.385 -1.876 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.695 -3.304 -5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.508 -4.686 -4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.201 -3.252 -3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.552 -1.518 -6.318 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.722 -1.971 -7.561 1.00 0.00 H new ATOM 98 N GLN A 91 -10.297 -3.404 -1.333 1.00 0.00 N ATOM 99 CA GLN A 91 -10.883 -2.988 -0.078 1.00 0.00 C ATOM 100 C GLN A 91 -9.905 -3.331 1.024 1.00 0.00 C ATOM 101 O GLN A 91 -9.495 -4.489 1.160 1.00 0.00 O ATOM 102 CB GLN A 91 -12.206 -3.712 0.162 1.00 0.00 C ATOM 103 CG GLN A 91 -13.219 -3.529 -0.953 1.00 0.00 C ATOM 104 CD GLN A 91 -14.495 -4.286 -0.694 1.00 0.00 C ATOM 105 OE1 GLN A 91 -15.431 -3.766 -0.104 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.535 -5.521 -1.110 1.00 0.00 N ATOM 0 H GLN A 91 -10.075 -4.399 -1.371 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.084 -1.917 -0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.008 -4.776 0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.640 -3.355 1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.444 -2.469 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.785 -3.865 -1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.734 -5.921 -1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.367 -6.088 -0.946 1.00 0.00 H new ATOM 115 N TRP A 92 -9.502 -2.337 1.770 1.00 0.00 N ATOM 116 CA TRP A 92 -8.521 -2.506 2.822 1.00 0.00 C ATOM 117 C TRP A 92 -8.961 -1.751 4.050 1.00 0.00 C ATOM 118 O TRP A 92 -9.860 -0.909 3.960 1.00 0.00 O ATOM 119 CB TRP A 92 -7.149 -1.995 2.383 1.00 0.00 C ATOM 120 CG TRP A 92 -6.551 -2.734 1.233 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.831 -2.551 -0.081 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.551 -3.758 1.293 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.097 -3.405 -0.839 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.295 -4.154 -0.026 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.852 -4.380 2.330 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.373 -5.139 -0.341 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.931 -5.358 2.009 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.701 -5.726 0.685 1.00 0.00 C ATOM 0 H TRP A 92 -9.843 -1.381 1.669 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.441 -3.570 3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.236 -0.942 2.116 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.466 -2.053 3.230 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.536 -1.830 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.138 -3.476 -1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.028 -4.103 3.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.194 -5.430 -1.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.379 -5.846 2.799 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.973 -6.494 0.469 1.00 0.00 H new ATOM 139 N LYS A 93 -8.368 -2.052 5.191 1.00 0.00 N ATOM 140 CA LYS A 93 -8.683 -1.341 6.417 1.00 0.00 C ATOM 141 C LYS A 93 -7.412 -0.711 6.993 1.00 0.00 C ATOM 142 O LYS A 93 -6.305 -1.192 6.743 1.00 0.00 O ATOM 143 CB LYS A 93 -9.337 -2.269 7.451 1.00 0.00 C ATOM 144 CG LYS A 93 -8.394 -3.259 8.110 1.00 0.00 C ATOM 145 CD LYS A 93 -9.182 -4.263 8.961 1.00 0.00 C ATOM 146 CE LYS A 93 -8.287 -5.229 9.740 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.581 -6.206 8.881 1.00 0.00 N ATOM 0 H LYS A 93 -7.665 -2.784 5.294 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.399 -0.554 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.798 -1.657 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.139 -2.823 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.822 -3.788 7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.677 -2.727 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.813 -3.718 9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.846 -4.836 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.551 -4.655 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.895 -5.769 10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.870 -6.714 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.266 -6.886 8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.111 -5.705 8.100 1.00 0.00 H new ATOM 161 N VAL A 94 -7.579 0.362 7.721 1.00 0.00 N ATOM 162 CA VAL A 94 -6.477 1.056 8.363 1.00 0.00 C ATOM 163 C VAL A 94 -5.826 0.155 9.409 1.00 0.00 C ATOM 164 O VAL A 94 -6.518 -0.425 10.257 1.00 0.00 O ATOM 165 CB VAL A 94 -6.947 2.381 9.031 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.799 3.075 9.751 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.556 3.314 8.002 1.00 0.00 C ATOM 0 H VAL A 94 -8.490 0.788 7.891 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.749 1.305 7.591 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.708 2.126 9.769 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.160 3.997 10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.405 2.417 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.009 3.308 9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.878 4.234 8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.814 3.549 7.239 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.415 2.831 7.536 1.00 0.00 H new ATOM 177 N GLY A 95 -4.521 0.021 9.321 1.00 0.00 N ATOM 178 CA GLY A 95 -3.786 -0.769 10.266 1.00 0.00 C ATOM 179 C GLY A 95 -3.468 -2.133 9.728 1.00 0.00 C ATOM 180 O GLY A 95 -3.023 -3.012 10.468 1.00 0.00 O ATOM 0 H GLY A 95 -3.949 0.455 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.860 -0.256 10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.364 -0.867 11.185 1.00 0.00 H new ATOM 184 N ASP A 96 -3.714 -2.331 8.454 1.00 0.00 N ATOM 185 CA ASP A 96 -3.454 -3.617 7.822 1.00 0.00 C ATOM 186 C ASP A 96 -2.167 -3.524 7.059 1.00 0.00 C ATOM 187 O ASP A 96 -1.814 -2.448 6.551 1.00 0.00 O ATOM 188 CB ASP A 96 -4.528 -3.944 6.819 1.00 0.00 C ATOM 189 CG ASP A 96 -4.923 -5.398 6.795 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.066 -6.277 6.806 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.132 -5.685 6.778 1.00 0.00 O ATOM 0 H ASP A 96 -4.094 -1.621 7.828 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.419 -4.380 8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.410 -3.342 7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.183 -3.655 5.826 1.00 0.00 H new ATOM 196 N LYS A 97 -1.468 -4.602 6.984 1.00 0.00 N ATOM 197 CA LYS A 97 -0.267 -4.681 6.231 1.00 0.00 C ATOM 198 C LYS A 97 -0.554 -5.023 4.810 1.00 0.00 C ATOM 199 O LYS A 97 -1.557 -5.675 4.495 1.00 0.00 O ATOM 200 CB LYS A 97 0.607 -5.704 6.843 1.00 0.00 C ATOM 201 CG LYS A 97 0.964 -5.308 8.213 1.00 0.00 C ATOM 202 CD LYS A 97 1.573 -6.416 8.961 1.00 0.00 C ATOM 203 CE LYS A 97 2.144 -5.867 10.224 1.00 0.00 C ATOM 204 NZ LYS A 97 2.725 -6.903 11.098 1.00 0.00 N ATOM 0 H LYS A 97 -1.721 -5.471 7.454 1.00 0.00 H new ATOM 0 HA LYS A 97 0.233 -3.713 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.098 -6.668 6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.510 -5.828 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.658 -4.468 8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.072 -4.964 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.828 -7.181 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.353 -6.893 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.913 -5.134 9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.362 -5.338 10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.105 -6.459 11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.989 -7.590 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.492 -7.392 10.594 1.00 0.00 H new ATOM 218 N CYS A 98 0.322 -4.614 3.967 1.00 0.00 N ATOM 219 CA CYS A 98 0.164 -4.799 2.563 1.00 0.00 C ATOM 220 C CYS A 98 1.499 -4.614 1.869 1.00 0.00 C ATOM 221 O CYS A 98 2.559 -4.574 2.510 1.00 0.00 O ATOM 222 CB CYS A 98 -0.855 -3.772 2.030 1.00 0.00 C ATOM 223 SG CYS A 98 -0.379 -2.057 2.310 1.00 0.00 S ATOM 0 H CYS A 98 1.182 -4.134 4.232 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.199 -5.807 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.990 -3.931 0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.820 -3.953 2.504 1.00 0.00 H new ATOM 0 HG CYS A 98 0.610 -2.013 3.152 1.00 0.00 H new ATOM 229 N SER A 99 1.440 -4.531 0.597 1.00 0.00 N ATOM 230 CA SER A 99 2.569 -4.246 -0.227 1.00 0.00 C ATOM 231 C SER A 99 2.200 -3.116 -1.148 1.00 0.00 C ATOM 232 O SER A 99 1.052 -3.035 -1.610 1.00 0.00 O ATOM 233 CB SER A 99 2.970 -5.476 -1.016 1.00 0.00 C ATOM 234 OG SER A 99 3.380 -6.521 -0.163 1.00 0.00 O ATOM 0 H SER A 99 0.576 -4.663 0.072 1.00 0.00 H new ATOM 0 HA SER A 99 3.423 -3.959 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.130 -5.810 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.780 -5.224 -1.700 1.00 0.00 H new ATOM 0 HG SER A 99 2.916 -7.348 -0.412 1.00 0.00 H new ATOM 240 N ALA A 100 3.120 -2.237 -1.379 1.00 0.00 N ATOM 241 CA ALA A 100 2.877 -1.110 -2.224 1.00 0.00 C ATOM 242 C ALA A 100 4.010 -0.949 -3.197 1.00 0.00 C ATOM 243 O ALA A 100 5.107 -1.495 -2.984 1.00 0.00 O ATOM 244 CB ALA A 100 2.705 0.143 -1.388 1.00 0.00 C ATOM 0 H ALA A 100 4.061 -2.278 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 100 1.957 -1.275 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.520 0.995 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.860 0.016 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.611 0.321 -0.808 1.00 0.00 H new ATOM 250 N ILE A 101 3.745 -0.247 -4.263 1.00 0.00 N ATOM 251 CA ILE A 101 4.726 0.029 -5.267 1.00 0.00 C ATOM 252 C ILE A 101 5.362 1.349 -4.971 1.00 0.00 C ATOM 253 O ILE A 101 4.718 2.401 -5.091 1.00 0.00 O ATOM 254 CB ILE A 101 4.099 0.047 -6.686 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.700 -1.359 -7.112 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.034 0.687 -7.722 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.856 -2.249 -7.498 1.00 0.00 C ATOM 0 H ILE A 101 2.828 0.154 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 101 5.475 -0.762 -5.250 1.00 0.00 H new ATOM 0 HB ILE A 101 3.203 0.666 -6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.152 -1.830 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.015 -1.288 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.554 0.678 -8.700 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.248 1.716 -7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.965 0.122 -7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.479 -3.230 -7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.393 -1.805 -8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.532 -2.356 -6.650 1.00 0.00 H new ATOM 269 N TRP A 102 6.597 1.299 -4.586 1.00 0.00 N ATOM 270 CA TRP A 102 7.329 2.480 -4.254 1.00 0.00 C ATOM 271 C TRP A 102 7.526 3.266 -5.490 1.00 0.00 C ATOM 272 O TRP A 102 8.138 2.793 -6.419 1.00 0.00 O ATOM 273 CB TRP A 102 8.679 2.133 -3.663 1.00 0.00 C ATOM 274 CG TRP A 102 9.323 3.276 -2.953 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.686 4.287 -2.301 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.722 3.514 -2.790 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.598 5.127 -1.747 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.856 4.672 -2.029 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.873 2.861 -3.209 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.093 5.185 -1.683 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.096 3.379 -2.868 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.188 4.534 -2.109 1.00 0.00 C ATOM 0 H TRP A 102 7.129 0.434 -4.492 1.00 0.00 H new ATOM 0 HA TRP A 102 6.770 3.052 -3.514 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.561 1.302 -2.967 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.339 1.790 -4.460 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.614 4.404 -2.234 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.379 5.964 -1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.806 1.957 -3.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.176 6.082 -1.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.997 2.881 -3.195 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.164 4.920 -1.854 1.00 0.00 H new ATOM 293 N SER A 103 7.041 4.455 -5.485 1.00 0.00 N ATOM 294 CA SER A 103 7.096 5.327 -6.613 1.00 0.00 C ATOM 295 C SER A 103 8.514 5.645 -7.039 1.00 0.00 C ATOM 296 O SER A 103 8.770 5.992 -8.185 1.00 0.00 O ATOM 297 CB SER A 103 6.396 6.576 -6.240 1.00 0.00 C ATOM 298 OG SER A 103 5.030 6.329 -5.982 1.00 0.00 O ATOM 0 H SER A 103 6.580 4.865 -4.673 1.00 0.00 H new ATOM 0 HA SER A 103 6.623 4.833 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.864 7.011 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.492 7.306 -7.044 1.00 0.00 H new ATOM 0 HG SER A 103 4.587 7.168 -5.736 1.00 0.00 H new ATOM 304 N GLU A 104 9.422 5.478 -6.135 1.00 0.00 N ATOM 305 CA GLU A 104 10.781 5.833 -6.386 1.00 0.00 C ATOM 306 C GLU A 104 11.538 4.740 -7.106 1.00 0.00 C ATOM 307 O GLU A 104 12.372 5.021 -7.956 1.00 0.00 O ATOM 308 CB GLU A 104 11.480 6.204 -5.110 1.00 0.00 C ATOM 309 CG GLU A 104 10.810 7.351 -4.377 1.00 0.00 C ATOM 310 CD GLU A 104 11.764 8.294 -3.721 1.00 0.00 C ATOM 311 OE1 GLU A 104 12.141 8.075 -2.572 1.00 0.00 O ATOM 312 OE2 GLU A 104 12.126 9.312 -4.338 1.00 0.00 O ATOM 0 H GLU A 104 9.245 5.094 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 104 10.765 6.701 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.515 5.333 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.511 6.476 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.192 7.907 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.141 6.943 -3.620 1.00 0.00 H new ATOM 319 N ASP A 105 11.263 3.492 -6.775 1.00 0.00 N ATOM 320 CA ASP A 105 12.014 2.414 -7.412 1.00 0.00 C ATOM 321 C ASP A 105 11.105 1.623 -8.342 1.00 0.00 C ATOM 322 O ASP A 105 11.552 0.869 -9.184 1.00 0.00 O ATOM 323 CB ASP A 105 12.593 1.496 -6.338 1.00 0.00 C ATOM 324 CG ASP A 105 13.706 0.613 -6.841 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.440 -0.442 -7.424 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.876 0.958 -6.620 1.00 0.00 O ATOM 0 H ASP A 105 10.557 3.201 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 105 12.828 2.839 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.966 2.104 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.796 0.870 -5.937 1.00 0.00 H new ATOM 331 N GLY A 106 9.816 1.814 -8.170 1.00 0.00 N ATOM 332 CA GLY A 106 8.806 1.163 -9.001 1.00 0.00 C ATOM 333 C GLY A 106 8.502 -0.246 -8.531 1.00 0.00 C ATOM 334 O GLY A 106 7.606 -0.914 -9.048 1.00 0.00 O ATOM 0 H GLY A 106 9.429 2.425 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.890 1.754 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.152 1.133 -10.034 1.00 0.00 H new ATOM 338 N CYS A 107 9.252 -0.680 -7.566 1.00 0.00 N ATOM 339 CA CYS A 107 9.199 -1.994 -7.051 1.00 0.00 C ATOM 340 C CYS A 107 8.218 -2.157 -5.890 1.00 0.00 C ATOM 341 O CYS A 107 7.751 -1.169 -5.309 1.00 0.00 O ATOM 342 CB CYS A 107 10.590 -2.370 -6.675 1.00 0.00 C ATOM 343 SG CYS A 107 11.675 -2.620 -8.089 1.00 0.00 S ATOM 0 H CYS A 107 9.946 -0.094 -7.102 1.00 0.00 H new ATOM 0 HA CYS A 107 8.810 -2.668 -7.814 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.009 -1.590 -6.039 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.563 -3.284 -6.082 1.00 0.00 H new ATOM 0 HG CYS A 107 12.603 -1.709 -8.091 1.00 0.00 H new ATOM 349 N ILE A 108 7.929 -3.402 -5.564 1.00 0.00 N ATOM 350 CA ILE A 108 7.009 -3.758 -4.499 1.00 0.00 C ATOM 351 C ILE A 108 7.751 -3.841 -3.189 1.00 0.00 C ATOM 352 O ILE A 108 8.825 -4.434 -3.122 1.00 0.00 O ATOM 353 CB ILE A 108 6.389 -5.141 -4.743 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.881 -5.243 -6.166 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.260 -5.361 -3.752 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.235 -6.570 -6.511 1.00 0.00 C ATOM 0 H ILE A 108 8.333 -4.209 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 108 6.232 -2.994 -4.473 1.00 0.00 H new ATOM 0 HB ILE A 108 7.145 -5.913 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.158 -4.446 -6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.713 -5.071 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.815 -6.342 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.652 -5.309 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.501 -4.590 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.901 -6.553 -7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.959 -7.373 -6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.379 -6.739 -5.857 1.00 0.00 H new ATOM 368 N TYR A 109 7.200 -3.255 -2.172 1.00 0.00 N ATOM 369 CA TYR A 109 7.787 -3.279 -0.846 1.00 0.00 C ATOM 370 C TYR A 109 6.694 -3.387 0.208 1.00 0.00 C ATOM 371 O TYR A 109 5.550 -2.974 -0.050 1.00 0.00 O ATOM 372 CB TYR A 109 8.610 -2.031 -0.607 1.00 0.00 C ATOM 373 CG TYR A 109 9.832 -1.902 -1.484 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.765 -1.249 -2.705 1.00 0.00 C ATOM 375 CD2 TYR A 109 11.057 -2.398 -1.072 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.881 -1.096 -3.486 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.181 -2.241 -1.849 1.00 0.00 C ATOM 378 CZ TYR A 109 12.087 -1.587 -3.053 1.00 0.00 C ATOM 379 OH TYR A 109 13.208 -1.419 -3.829 1.00 0.00 O ATOM 0 H TYR A 109 6.322 -2.739 -2.228 1.00 0.00 H new ATOM 0 HA TYR A 109 8.441 -4.148 -0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.975 -1.159 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.925 -2.015 0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.819 -0.855 -3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.131 -2.916 -0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.811 -0.591 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.132 -2.630 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 109 13.980 -1.823 -3.380 1.00 0.00 H new ATOM 389 N PRO A 110 7.003 -3.970 1.389 1.00 0.00 N ATOM 390 CA PRO A 110 6.026 -4.120 2.469 1.00 0.00 C ATOM 391 C PRO A 110 5.674 -2.772 3.098 1.00 0.00 C ATOM 392 O PRO A 110 6.558 -1.971 3.437 1.00 0.00 O ATOM 393 CB PRO A 110 6.744 -5.013 3.490 1.00 0.00 C ATOM 394 CG PRO A 110 8.193 -4.774 3.250 1.00 0.00 C ATOM 395 CD PRO A 110 8.336 -4.497 1.778 1.00 0.00 C ATOM 0 HA PRO A 110 5.084 -4.539 2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.464 -4.752 4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.487 -6.063 3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.551 -3.931 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.784 -5.642 3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.126 -3.772 1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.587 -5.401 1.223 1.00 0.00 H new ATOM 403 N ALA A 111 4.410 -2.520 3.249 1.00 0.00 N ATOM 404 CA ALA A 111 3.949 -1.283 3.802 1.00 0.00 C ATOM 405 C ALA A 111 2.691 -1.516 4.598 1.00 0.00 C ATOM 406 O ALA A 111 1.961 -2.457 4.333 1.00 0.00 O ATOM 407 CB ALA A 111 3.694 -0.280 2.697 1.00 0.00 C ATOM 0 H ALA A 111 3.666 -3.169 2.991 1.00 0.00 H new ATOM 0 HA ALA A 111 4.716 -0.882 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.344 0.657 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.618 -0.102 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.937 -0.671 2.018 1.00 0.00 H new ATOM 413 N THR A 112 2.432 -0.674 5.542 1.00 0.00 N ATOM 414 CA THR A 112 1.259 -0.810 6.366 1.00 0.00 C ATOM 415 C THR A 112 0.370 0.419 6.198 1.00 0.00 C ATOM 416 O THR A 112 0.865 1.548 6.164 1.00 0.00 O ATOM 417 CB THR A 112 1.644 -1.011 7.849 1.00 0.00 C ATOM 418 OG1 THR A 112 2.508 -2.161 7.955 1.00 0.00 O ATOM 419 CG2 THR A 112 0.398 -1.245 8.706 1.00 0.00 C ATOM 0 H THR A 112 3.020 0.128 5.770 1.00 0.00 H new ATOM 0 HA THR A 112 0.706 -1.694 6.047 1.00 0.00 H new ATOM 0 HB THR A 112 2.151 -0.115 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.387 -1.946 7.578 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.693 -1.384 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.264 -0.383 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.123 -2.135 8.355 1.00 0.00 H new ATOM 427 N ILE A 113 -0.915 0.190 6.063 1.00 0.00 N ATOM 428 CA ILE A 113 -1.890 1.246 5.848 1.00 0.00 C ATOM 429 C ILE A 113 -2.041 2.101 7.098 1.00 0.00 C ATOM 430 O ILE A 113 -2.463 1.612 8.147 1.00 0.00 O ATOM 431 CB ILE A 113 -3.248 0.635 5.504 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.090 -0.325 4.337 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.244 1.733 5.154 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.257 -1.239 4.164 1.00 0.00 C ATOM 0 H ILE A 113 -1.323 -0.744 6.099 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.540 1.870 5.026 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.627 0.089 6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.947 0.248 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.189 -0.921 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.208 1.286 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.360 2.404 6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.878 2.296 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.080 -1.898 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.388 -1.837 5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.157 -0.650 3.986 1.00 0.00 H new ATOM 446 N ALA A 114 -1.720 3.358 6.971 1.00 0.00 N ATOM 447 CA ALA A 114 -1.790 4.287 8.078 1.00 0.00 C ATOM 448 C ALA A 114 -3.129 4.998 8.114 1.00 0.00 C ATOM 449 O ALA A 114 -3.638 5.312 9.180 1.00 0.00 O ATOM 450 CB ALA A 114 -0.663 5.298 7.994 1.00 0.00 C ATOM 0 H ALA A 114 -1.401 3.774 6.096 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.684 3.716 9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.731 5.989 8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.295 4.779 8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.742 5.854 7.060 1.00 0.00 H new ATOM 456 N SER A 115 -3.682 5.278 6.951 1.00 0.00 N ATOM 457 CA SER A 115 -4.980 5.934 6.830 1.00 0.00 C ATOM 458 C SER A 115 -5.535 5.671 5.439 1.00 0.00 C ATOM 459 O SER A 115 -4.761 5.424 4.515 1.00 0.00 O ATOM 460 CB SER A 115 -4.861 7.459 7.073 1.00 0.00 C ATOM 461 OG SER A 115 -4.369 7.752 8.389 1.00 0.00 O ATOM 0 H SER A 115 -3.246 5.058 6.055 1.00 0.00 H new ATOM 0 HA SER A 115 -5.653 5.529 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.193 7.894 6.330 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.837 7.926 6.937 1.00 0.00 H new ATOM 0 HG SER A 115 -4.359 6.932 8.925 1.00 0.00 H new ATOM 467 N ILE A 116 -6.854 5.699 5.301 1.00 0.00 N ATOM 468 CA ILE A 116 -7.520 5.470 4.030 1.00 0.00 C ATOM 469 C ILE A 116 -8.477 6.612 3.733 1.00 0.00 C ATOM 470 O ILE A 116 -9.201 7.081 4.627 1.00 0.00 O ATOM 471 CB ILE A 116 -8.335 4.149 4.043 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.425 2.957 4.311 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.103 3.960 2.730 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.151 1.655 4.415 1.00 0.00 C ATOM 0 H ILE A 116 -7.494 5.883 6.074 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.746 5.405 3.266 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.064 4.213 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.687 2.888 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.877 3.131 5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.665 3.027 2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.792 4.793 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.399 3.926 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.437 0.854 4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.870 1.703 5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.677 1.456 3.481 1.00 0.00 H new ATOM 486 N ASP A 117 -8.435 7.093 2.529 1.00 0.00 N ATOM 487 CA ASP A 117 -9.356 8.091 2.058 1.00 0.00 C ATOM 488 C ASP A 117 -10.271 7.418 1.065 1.00 0.00 C ATOM 489 O ASP A 117 -9.873 7.136 -0.068 1.00 0.00 O ATOM 490 CB ASP A 117 -8.626 9.245 1.388 1.00 0.00 C ATOM 491 CG ASP A 117 -9.535 10.413 1.059 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.377 10.312 0.151 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.388 11.479 1.695 1.00 0.00 O ATOM 0 H ASP A 117 -7.750 6.801 1.832 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.915 8.506 2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.825 9.589 2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.158 8.887 0.471 1.00 0.00 H new ATOM 498 N PHE A 118 -11.465 7.138 1.482 1.00 0.00 N ATOM 499 CA PHE A 118 -12.425 6.419 0.659 1.00 0.00 C ATOM 500 C PHE A 118 -12.969 7.294 -0.461 1.00 0.00 C ATOM 501 O PHE A 118 -13.485 6.799 -1.451 1.00 0.00 O ATOM 502 CB PHE A 118 -13.565 5.876 1.517 1.00 0.00 C ATOM 503 CG PHE A 118 -13.149 4.818 2.512 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.724 5.167 3.783 1.00 0.00 C ATOM 505 CD2 PHE A 118 -13.190 3.476 2.173 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.348 4.200 4.698 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.815 2.503 3.081 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.393 2.866 4.346 1.00 0.00 C ATOM 0 H PHE A 118 -11.817 7.396 2.404 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.903 5.580 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -14.024 6.705 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.330 5.460 0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.686 6.209 4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.519 3.185 1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.020 4.488 5.686 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.852 1.460 2.802 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.099 2.108 5.057 1.00 0.00 H new ATOM 518 N LYS A 119 -12.824 8.588 -0.319 1.00 0.00 N ATOM 519 CA LYS A 119 -13.295 9.504 -1.329 1.00 0.00 C ATOM 520 C LYS A 119 -12.394 9.460 -2.554 1.00 0.00 C ATOM 521 O LYS A 119 -12.862 9.562 -3.692 1.00 0.00 O ATOM 522 CB LYS A 119 -13.392 10.918 -0.776 1.00 0.00 C ATOM 523 CG LYS A 119 -14.440 11.082 0.305 1.00 0.00 C ATOM 524 CD LYS A 119 -14.441 12.491 0.843 1.00 0.00 C ATOM 525 CE LYS A 119 -15.570 12.709 1.834 1.00 0.00 C ATOM 526 NZ LYS A 119 -15.613 14.101 2.329 1.00 0.00 N ATOM 0 H LYS A 119 -12.383 9.032 0.487 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.295 9.193 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.421 11.208 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.617 11.603 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.424 10.841 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.246 10.379 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.486 12.697 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.539 13.196 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.520 12.464 1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.449 12.028 2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -16.398 14.206 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.716 14.328 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.755 14.750 1.529 1.00 0.00 H new ATOM 540 N ARG A 120 -11.107 9.316 -2.333 1.00 0.00 N ATOM 541 CA ARG A 120 -10.170 9.219 -3.437 1.00 0.00 C ATOM 542 C ARG A 120 -9.849 7.762 -3.748 1.00 0.00 C ATOM 543 O ARG A 120 -9.183 7.479 -4.751 1.00 0.00 O ATOM 544 CB ARG A 120 -8.862 9.910 -3.082 1.00 0.00 C ATOM 545 CG ARG A 120 -8.966 11.362 -2.670 1.00 0.00 C ATOM 546 CD ARG A 120 -9.521 12.250 -3.768 1.00 0.00 C ATOM 547 NE ARG A 120 -9.367 13.666 -3.424 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.174 14.664 -3.804 1.00 0.00 C ATOM 549 NH1 ARG A 120 -11.281 14.415 -4.519 1.00 0.00 N ATOM 550 NH2 ARG A 120 -9.874 15.911 -3.454 1.00 0.00 N ATOM 0 H ARG A 120 -10.684 9.263 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.634 9.695 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.391 9.356 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.195 9.844 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.604 11.440 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.979 11.724 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.005 12.041 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.575 12.023 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.569 13.915 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.516 13.457 -4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.888 15.184 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.037 16.098 -2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.481 16.680 -3.737 1.00 0.00 H new ATOM 564 N GLU A 121 -10.332 6.851 -2.882 1.00 0.00 N ATOM 565 CA GLU A 121 -10.031 5.398 -2.958 1.00 0.00 C ATOM 566 C GLU A 121 -8.531 5.155 -2.791 1.00 0.00 C ATOM 567 O GLU A 121 -7.974 4.139 -3.240 1.00 0.00 O ATOM 568 CB GLU A 121 -10.542 4.775 -4.257 1.00 0.00 C ATOM 569 CG GLU A 121 -12.050 4.726 -4.364 1.00 0.00 C ATOM 570 CD GLU A 121 -12.701 3.807 -3.345 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.182 2.687 -3.096 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.782 4.148 -2.837 1.00 0.00 O ATOM 0 H GLU A 121 -10.945 7.097 -2.105 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.559 4.909 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.146 5.342 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.149 3.762 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.448 5.733 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.325 4.397 -5.366 1.00 0.00 H new ATOM 579 N THR A 122 -7.890 6.061 -2.111 1.00 0.00 N ATOM 580 CA THR A 122 -6.483 5.967 -1.885 1.00 0.00 C ATOM 581 C THR A 122 -6.193 5.870 -0.402 1.00 0.00 C ATOM 582 O THR A 122 -7.035 6.196 0.419 1.00 0.00 O ATOM 583 CB THR A 122 -5.715 7.156 -2.507 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.220 8.413 -1.996 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.823 7.155 -4.026 1.00 0.00 C ATOM 0 H THR A 122 -8.330 6.884 -1.699 1.00 0.00 H new ATOM 0 HA THR A 122 -6.134 5.060 -2.378 1.00 0.00 H new ATOM 0 HB THR A 122 -4.667 7.043 -2.230 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.721 9.154 -2.399 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.272 8.004 -4.431 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.404 6.229 -4.420 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.871 7.231 -4.316 1.00 0.00 H new ATOM 593 N CYS A 123 -5.033 5.425 -0.068 1.00 0.00 N ATOM 594 CA CYS A 123 -4.637 5.286 1.294 1.00 0.00 C ATOM 595 C CYS A 123 -3.162 5.523 1.424 1.00 0.00 C ATOM 596 O CYS A 123 -2.399 5.290 0.480 1.00 0.00 O ATOM 597 CB CYS A 123 -4.981 3.894 1.783 1.00 0.00 C ATOM 598 SG CYS A 123 -4.355 2.587 0.715 1.00 0.00 S ATOM 0 H CYS A 123 -4.320 5.143 -0.741 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.168 6.021 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.576 3.759 2.786 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.064 3.802 1.861 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.980 3.097 -0.421 1.00 0.00 H new ATOM 604 N VAL A 124 -2.761 5.975 2.563 1.00 0.00 N ATOM 605 CA VAL A 124 -1.380 6.211 2.831 1.00 0.00 C ATOM 606 C VAL A 124 -0.819 5.010 3.544 1.00 0.00 C ATOM 607 O VAL A 124 -1.412 4.523 4.517 1.00 0.00 O ATOM 608 CB VAL A 124 -1.172 7.481 3.692 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.306 7.695 4.001 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.737 8.694 2.979 1.00 0.00 C ATOM 0 H VAL A 124 -3.384 6.193 3.340 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.862 6.372 1.885 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.701 7.343 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.425 8.593 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.692 6.835 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.860 7.810 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.585 9.581 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.229 8.824 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.804 8.551 2.806 1.00 0.00 H new ATOM 620 N VAL A 125 0.300 4.541 3.082 1.00 0.00 N ATOM 621 CA VAL A 125 0.935 3.403 3.660 1.00 0.00 C ATOM 622 C VAL A 125 2.343 3.777 4.077 1.00 0.00 C ATOM 623 O VAL A 125 2.982 4.644 3.466 1.00 0.00 O ATOM 624 CB VAL A 125 1.001 2.187 2.674 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.378 1.730 2.219 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.895 2.491 1.477 1.00 0.00 C ATOM 0 H VAL A 125 0.799 4.942 2.288 1.00 0.00 H new ATOM 0 HA VAL A 125 0.339 3.098 4.520 1.00 0.00 H new ATOM 0 HB VAL A 125 1.443 1.361 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.275 0.885 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.965 1.427 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.882 2.550 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.919 1.627 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.501 3.353 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.905 2.711 1.824 1.00 0.00 H new ATOM 636 N VAL A 126 2.786 3.172 5.121 1.00 0.00 N ATOM 637 CA VAL A 126 4.103 3.369 5.633 1.00 0.00 C ATOM 638 C VAL A 126 4.929 2.150 5.319 1.00 0.00 C ATOM 639 O VAL A 126 4.560 1.042 5.692 1.00 0.00 O ATOM 640 CB VAL A 126 4.090 3.637 7.163 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.509 3.590 7.740 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.438 4.993 7.453 1.00 0.00 C ATOM 0 H VAL A 126 2.231 2.508 5.660 1.00 0.00 H new ATOM 0 HA VAL A 126 4.538 4.249 5.159 1.00 0.00 H new ATOM 0 HB VAL A 126 3.505 2.853 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.472 3.781 8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.942 2.606 7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.123 4.350 7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.433 5.172 8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.003 5.782 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.413 4.991 7.081 1.00 0.00 H new ATOM 652 N TYR A 127 6.013 2.355 4.616 1.00 0.00 N ATOM 653 CA TYR A 127 6.893 1.280 4.236 1.00 0.00 C ATOM 654 C TYR A 127 7.606 0.748 5.433 1.00 0.00 C ATOM 655 O TYR A 127 8.429 1.444 6.052 1.00 0.00 O ATOM 656 CB TYR A 127 7.872 1.713 3.167 1.00 0.00 C ATOM 657 CG TYR A 127 7.207 2.011 1.865 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.846 0.978 1.015 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.923 3.312 1.482 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.216 1.227 -0.172 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.298 3.568 0.291 1.00 0.00 C ATOM 662 CZ TYR A 127 5.944 2.519 -0.531 1.00 0.00 C ATOM 663 OH TYR A 127 5.271 2.756 -1.694 1.00 0.00 O ATOM 0 H TYR A 127 6.311 3.274 4.290 1.00 0.00 H new ATOM 0 HA TYR A 127 6.285 0.481 3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.408 2.599 3.508 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.614 0.928 3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.066 -0.041 1.295 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.197 4.132 2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.935 0.411 -0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.084 4.585 -0.003 1.00 0.00 H new ATOM 0 HH TYR A 127 5.304 3.713 -1.902 1.00 0.00 H new ATOM 673 N THR A 128 7.291 -0.466 5.747 1.00 0.00 N ATOM 674 CA THR A 128 7.770 -1.121 6.903 1.00 0.00 C ATOM 675 C THR A 128 9.288 -1.317 6.825 1.00 0.00 C ATOM 676 O THR A 128 9.826 -1.800 5.816 1.00 0.00 O ATOM 677 CB THR A 128 7.061 -2.471 6.993 1.00 0.00 C ATOM 678 OG1 THR A 128 5.634 -2.250 6.971 1.00 0.00 O ATOM 679 CG2 THR A 128 7.460 -3.223 8.246 1.00 0.00 C ATOM 0 H THR A 128 6.670 -1.043 5.180 1.00 0.00 H new ATOM 0 HA THR A 128 7.565 -0.521 7.790 1.00 0.00 H new ATOM 0 HB THR A 128 7.356 -3.083 6.140 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.169 -3.111 7.027 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.937 -4.179 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.536 -3.398 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.194 -2.634 9.124 1.00 0.00 H new ATOM 687 N GLY A 129 9.965 -0.909 7.876 1.00 0.00 N ATOM 688 CA GLY A 129 11.387 -1.040 7.941 1.00 0.00 C ATOM 689 C GLY A 129 12.085 0.184 7.402 1.00 0.00 C ATOM 690 O GLY A 129 13.245 0.436 7.715 1.00 0.00 O ATOM 0 H GLY A 129 9.541 -0.481 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.690 -1.206 8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.698 -1.916 7.372 1.00 0.00 H new ATOM 694 N TYR A 130 11.383 0.964 6.609 1.00 0.00 N ATOM 695 CA TYR A 130 11.970 2.133 6.011 1.00 0.00 C ATOM 696 C TYR A 130 11.473 3.383 6.699 1.00 0.00 C ATOM 697 O TYR A 130 12.244 4.295 6.998 1.00 0.00 O ATOM 698 CB TYR A 130 11.654 2.178 4.534 1.00 0.00 C ATOM 699 CG TYR A 130 12.177 0.992 3.752 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.520 0.873 3.480 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.324 0.005 3.275 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.013 -0.187 2.760 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.810 -1.064 2.552 1.00 0.00 C ATOM 704 CZ TYR A 130 13.159 -1.152 2.299 1.00 0.00 C ATOM 705 OH TYR A 130 13.665 -2.220 1.579 1.00 0.00 O ATOM 0 H TYR A 130 10.405 0.806 6.366 1.00 0.00 H new ATOM 0 HA TYR A 130 13.052 2.082 6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.573 2.235 4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.073 3.091 4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.201 1.630 3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.265 0.076 3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.071 -0.259 2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.137 -1.826 2.187 1.00 0.00 H new ATOM 0 HH TYR A 130 12.932 -2.819 1.323 1.00 0.00 H new ATOM 715 N GLY A 131 10.187 3.419 6.959 1.00 0.00 N ATOM 716 CA GLY A 131 9.609 4.535 7.659 1.00 0.00 C ATOM 717 C GLY A 131 9.122 5.649 6.753 1.00 0.00 C ATOM 718 O GLY A 131 8.852 6.756 7.233 1.00 0.00 O ATOM 0 H GLY A 131 9.525 2.689 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.773 4.179 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.349 4.940 8.349 1.00 0.00 H new ATOM 722 N ASN A 132 9.020 5.391 5.459 1.00 0.00 N ATOM 723 CA ASN A 132 8.463 6.402 4.544 1.00 0.00 C ATOM 724 C ASN A 132 7.006 6.178 4.417 1.00 0.00 C ATOM 725 O ASN A 132 6.511 5.093 4.726 1.00 0.00 O ATOM 726 CB ASN A 132 9.051 6.397 3.118 1.00 0.00 C ATOM 727 CG ASN A 132 10.441 6.984 2.974 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.862 7.838 3.752 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.135 6.576 1.941 1.00 0.00 N ATOM 0 H ASN A 132 9.304 4.517 5.017 1.00 0.00 H new ATOM 0 HA ASN A 132 8.721 7.363 4.989 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.073 5.368 2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.375 6.949 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.059 6.969 1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.752 5.865 1.318 1.00 0.00 H new ATOM 736 N ARG A 133 6.324 7.149 3.919 1.00 0.00 N ATOM 737 CA ARG A 133 4.914 7.055 3.762 1.00 0.00 C ATOM 738 C ARG A 133 4.542 7.537 2.377 1.00 0.00 C ATOM 739 O ARG A 133 5.083 8.535 1.885 1.00 0.00 O ATOM 740 CB ARG A 133 4.189 7.804 4.910 1.00 0.00 C ATOM 741 CG ARG A 133 4.355 9.324 4.952 1.00 0.00 C ATOM 742 CD ARG A 133 3.261 10.030 4.171 1.00 0.00 C ATOM 743 NE ARG A 133 3.355 11.500 4.257 1.00 0.00 N ATOM 744 CZ ARG A 133 2.326 12.366 4.096 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.121 11.928 3.731 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.523 13.672 4.241 1.00 0.00 N ATOM 0 H ARG A 133 6.728 8.033 3.608 1.00 0.00 H new ATOM 0 HA ARG A 133 4.582 6.020 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.124 7.580 4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.542 7.397 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.340 9.663 5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.328 9.595 4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.315 9.728 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.289 9.710 4.546 1.00 0.00 H new ATOM 0 HE ARG A 133 4.273 11.898 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.967 10.933 3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.353 12.588 3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.451 14.025 4.474 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.746 14.322 4.119 1.00 0.00 H new ATOM 760 N GLU A 134 3.684 6.819 1.743 1.00 0.00 N ATOM 761 CA GLU A 134 3.299 7.096 0.411 1.00 0.00 C ATOM 762 C GLU A 134 1.821 6.790 0.242 1.00 0.00 C ATOM 763 O GLU A 134 1.280 5.926 0.938 1.00 0.00 O ATOM 764 CB GLU A 134 4.207 6.274 -0.514 1.00 0.00 C ATOM 765 CG GLU A 134 3.850 6.283 -1.963 1.00 0.00 C ATOM 766 CD GLU A 134 5.062 6.077 -2.850 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.465 4.941 -3.115 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.629 7.080 -3.307 1.00 0.00 O ATOM 0 H GLU A 134 3.222 6.005 2.148 1.00 0.00 H new ATOM 0 HA GLU A 134 3.422 8.148 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.227 6.643 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.205 5.241 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.119 5.499 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.375 7.232 -2.213 1.00 0.00 H new ATOM 775 N GLU A 135 1.180 7.499 -0.648 1.00 0.00 N ATOM 776 CA GLU A 135 -0.229 7.367 -0.873 1.00 0.00 C ATOM 777 C GLU A 135 -0.444 6.558 -2.121 1.00 0.00 C ATOM 778 O GLU A 135 0.019 6.919 -3.213 1.00 0.00 O ATOM 779 CB GLU A 135 -0.888 8.739 -1.001 1.00 0.00 C ATOM 780 CG GLU A 135 -2.391 8.686 -1.199 1.00 0.00 C ATOM 781 CD GLU A 135 -3.005 10.051 -1.306 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.074 10.598 -2.414 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.443 10.598 -0.283 1.00 0.00 O ATOM 0 H GLU A 135 1.631 8.193 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.687 6.860 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.670 9.320 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.440 9.269 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.615 8.118 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.845 8.151 -0.365 1.00 0.00 H new ATOM 790 N GLN A 136 -1.127 5.475 -1.946 1.00 0.00 N ATOM 791 CA GLN A 136 -1.360 4.499 -2.971 1.00 0.00 C ATOM 792 C GLN A 136 -2.844 4.263 -3.064 1.00 0.00 C ATOM 793 O GLN A 136 -3.582 4.622 -2.160 1.00 0.00 O ATOM 794 CB GLN A 136 -0.677 3.201 -2.566 1.00 0.00 C ATOM 795 CG GLN A 136 0.792 3.376 -2.214 1.00 0.00 C ATOM 796 CD GLN A 136 1.688 3.550 -3.420 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.274 4.030 -4.485 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.923 3.226 -3.250 1.00 0.00 N ATOM 0 H GLN A 136 -1.556 5.232 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 136 -0.970 4.842 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.200 2.776 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.765 2.483 -3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.900 4.244 -1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.127 2.508 -1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.229 2.833 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.595 3.362 -4.005 1.00 0.00 H new ATOM 807 N ASN A 137 -3.274 3.677 -4.119 1.00 0.00 N ATOM 808 CA ASN A 137 -4.683 3.388 -4.310 1.00 0.00 C ATOM 809 C ASN A 137 -4.980 2.084 -3.646 1.00 0.00 C ATOM 810 O ASN A 137 -4.159 1.175 -3.687 1.00 0.00 O ATOM 811 CB ASN A 137 -5.016 3.243 -5.791 1.00 0.00 C ATOM 812 CG ASN A 137 -4.597 4.418 -6.644 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.369 5.341 -6.870 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.370 4.410 -7.093 1.00 0.00 N ATOM 0 H ASN A 137 -2.674 3.376 -4.887 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.271 4.205 -3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.534 2.343 -6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.091 3.098 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.027 5.191 -7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.756 3.623 -6.884 1.00 0.00 H new ATOM 821 N LEU A 138 -6.138 1.989 -3.055 1.00 0.00 N ATOM 822 CA LEU A 138 -6.606 0.751 -2.410 1.00 0.00 C ATOM 823 C LEU A 138 -6.609 -0.397 -3.411 1.00 0.00 C ATOM 824 O LEU A 138 -6.220 -1.513 -3.109 1.00 0.00 O ATOM 825 CB LEU A 138 -8.016 0.960 -1.885 1.00 0.00 C ATOM 826 CG LEU A 138 -8.170 1.995 -0.791 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.626 2.359 -0.628 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.622 1.459 0.515 1.00 0.00 C ATOM 0 H LEU A 138 -6.802 2.761 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.934 0.504 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.655 1.246 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.388 0.006 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.609 2.887 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.729 3.104 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.006 2.767 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.196 1.469 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.738 2.212 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.168 0.558 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.565 1.220 0.396 1.00 0.00 H new ATOM 840 N SER A 139 -6.994 -0.085 -4.615 1.00 0.00 N ATOM 841 CA SER A 139 -7.066 -1.042 -5.684 1.00 0.00 C ATOM 842 C SER A 139 -5.684 -1.333 -6.290 1.00 0.00 C ATOM 843 O SER A 139 -5.519 -2.266 -7.072 1.00 0.00 O ATOM 844 CB SER A 139 -8.015 -0.484 -6.719 1.00 0.00 C ATOM 845 OG SER A 139 -7.745 0.904 -6.916 1.00 0.00 O ATOM 0 H SER A 139 -7.272 0.858 -4.887 1.00 0.00 H new ATOM 0 HA SER A 139 -7.429 -1.998 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.902 -1.024 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.046 -0.622 -6.394 1.00 0.00 H new ATOM 0 HG SER A 139 -8.360 1.265 -7.589 1.00 0.00 H new ATOM 851 N ASP A 140 -4.694 -0.583 -5.875 1.00 0.00 N ATOM 852 CA ASP A 140 -3.361 -0.700 -6.445 1.00 0.00 C ATOM 853 C ASP A 140 -2.433 -1.315 -5.424 1.00 0.00 C ATOM 854 O ASP A 140 -1.258 -1.583 -5.691 1.00 0.00 O ATOM 855 CB ASP A 140 -2.848 0.671 -6.869 1.00 0.00 C ATOM 856 CG ASP A 140 -1.640 0.608 -7.762 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.807 0.271 -8.953 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.521 0.940 -7.320 1.00 0.00 O ATOM 0 H ASP A 140 -4.780 0.120 -5.141 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.399 -1.340 -7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.645 1.205 -7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.602 1.250 -5.979 1.00 0.00 H new ATOM 863 N LEU A 141 -2.965 -1.524 -4.234 1.00 0.00 N ATOM 864 CA LEU A 141 -2.230 -2.181 -3.193 1.00 0.00 C ATOM 865 C LEU A 141 -2.047 -3.624 -3.545 1.00 0.00 C ATOM 866 O LEU A 141 -2.736 -4.158 -4.419 1.00 0.00 O ATOM 867 CB LEU A 141 -2.916 -2.063 -1.837 1.00 0.00 C ATOM 868 CG LEU A 141 -3.035 -0.668 -1.253 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.649 -0.734 0.127 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.680 0.003 -1.204 1.00 0.00 C ATOM 0 H LEU A 141 -3.910 -1.243 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.262 -1.687 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.919 -2.482 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.373 -2.685 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.685 -0.073 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.730 0.272 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.641 -1.181 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.019 -1.341 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.784 1.003 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.005 -0.585 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.273 0.075 -2.213 1.00 0.00 H new ATOM 882 N LEU A 142 -1.133 -4.236 -2.897 1.00 0.00 N ATOM 883 CA LEU A 142 -0.795 -5.596 -3.162 1.00 0.00 C ATOM 884 C LEU A 142 -0.768 -6.343 -1.850 1.00 0.00 C ATOM 885 O LEU A 142 -0.684 -5.717 -0.781 1.00 0.00 O ATOM 886 CB LEU A 142 0.581 -5.621 -3.823 1.00 0.00 C ATOM 887 CG LEU A 142 0.718 -4.765 -5.084 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.164 -4.579 -5.444 1.00 0.00 C ATOM 889 CD2 LEU A 142 -0.044 -5.374 -6.247 1.00 0.00 C ATOM 0 H LEU A 142 -0.583 -3.807 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.521 -6.067 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.321 -5.287 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.825 -6.653 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 142 0.284 -3.788 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.239 -3.968 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.682 -4.083 -4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.621 -5.551 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.072 -4.743 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.349 -6.369 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.101 -5.448 -5.991 1.00 0.00 H new ATOM 901 N SER A 143 -0.830 -7.644 -1.918 1.00 0.00 N ATOM 902 CA SER A 143 -0.819 -8.477 -0.738 1.00 0.00 C ATOM 903 C SER A 143 0.578 -8.434 -0.128 1.00 0.00 C ATOM 904 O SER A 143 1.576 -8.409 -0.878 1.00 0.00 O ATOM 905 CB SER A 143 -1.190 -9.907 -1.119 1.00 0.00 C ATOM 906 OG SER A 143 -2.392 -9.927 -1.869 1.00 0.00 O ATOM 0 H SER A 143 -0.890 -8.162 -2.794 1.00 0.00 H new ATOM 0 HA SER A 143 -1.545 -8.114 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.384 -10.355 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.307 -10.510 -0.219 1.00 0.00 H new ATOM 0 HG SER A 143 -2.614 -10.852 -2.106 1.00 0.00 H new ATOM 912 N PRO A 144 0.691 -8.407 1.217 1.00 0.00 N ATOM 913 CA PRO A 144 1.972 -8.284 1.875 1.00 0.00 C ATOM 914 C PRO A 144 2.929 -9.398 1.501 1.00 0.00 C ATOM 915 O PRO A 144 2.536 -10.566 1.343 1.00 0.00 O ATOM 916 CB PRO A 144 1.680 -8.303 3.364 1.00 0.00 C ATOM 917 CG PRO A 144 0.265 -8.762 3.503 1.00 0.00 C ATOM 918 CD PRO A 144 -0.420 -8.522 2.180 1.00 0.00 C ATOM 0 HA PRO A 144 2.467 -7.363 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.361 -8.975 3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.813 -7.313 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.229 -9.819 3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.239 -8.216 4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.088 -9.344 1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.024 -7.615 2.202 1.00 0.00 H new ATOM 926 N ILE A 145 4.156 -9.016 1.328 1.00 0.00 N ATOM 927 CA ILE A 145 5.226 -9.918 0.958 1.00 0.00 C ATOM 928 C ILE A 145 5.498 -10.828 2.128 1.00 0.00 C ATOM 929 O ILE A 145 5.252 -10.457 3.293 1.00 0.00 O ATOM 930 CB ILE A 145 6.520 -9.118 0.585 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.208 -8.081 -0.505 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.646 -10.049 0.116 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.373 -7.186 -0.861 1.00 0.00 C ATOM 0 H ILE A 145 4.458 -8.048 1.440 1.00 0.00 H new ATOM 0 HA ILE A 145 4.932 -10.501 0.085 1.00 0.00 H new ATOM 0 HB ILE A 145 6.862 -8.606 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.878 -8.603 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.376 -7.460 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.527 -9.458 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.894 -10.750 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.318 -10.601 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 145 7.069 -6.484 -1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.691 -6.634 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.201 -7.794 -1.226 1.00 0.00 H new ATOM 945 N CYS A 146 5.949 -12.004 1.837 1.00 0.00 N ATOM 946 CA CYS A 146 6.263 -12.965 2.815 1.00 0.00 C ATOM 947 C CYS A 146 7.586 -12.608 3.486 1.00 0.00 C ATOM 948 O CYS A 146 8.652 -13.085 3.102 1.00 0.00 O ATOM 949 CB CYS A 146 6.308 -14.321 2.150 1.00 0.00 C ATOM 950 SG CYS A 146 4.752 -14.773 1.343 1.00 0.00 S ATOM 0 H CYS A 146 6.110 -12.321 0.881 1.00 0.00 H new ATOM 0 HA CYS A 146 5.505 -12.987 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 146 7.109 -14.329 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 146 6.555 -15.076 2.896 1.00 0.00 H new ATOM 0 HG CYS A 146 4.872 -15.946 0.795 1.00 0.00 H new ATOM 956 N GLU A 147 7.500 -11.662 4.388 1.00 0.00 N ATOM 957 CA GLU A 147 8.612 -11.192 5.153 1.00 0.00 C ATOM 958 C GLU A 147 8.795 -12.125 6.329 1.00 0.00 C ATOM 959 O GLU A 147 8.267 -11.838 7.419 1.00 0.00 O ATOM 960 CB GLU A 147 8.326 -9.762 5.640 1.00 0.00 C ATOM 961 CG GLU A 147 8.131 -8.733 4.529 1.00 0.00 C ATOM 962 CD GLU A 147 9.402 -8.449 3.773 1.00 0.00 C ATOM 963 OE1 GLU A 147 10.219 -7.628 4.245 1.00 0.00 O ATOM 964 OE2 GLU A 147 9.630 -9.049 2.715 1.00 0.00 O ATOM 965 OXT GLU A 147 9.381 -13.202 6.146 1.00 0.00 O ATOM 0 H GLU A 147 6.625 -11.188 4.612 1.00 0.00 H new ATOM 0 HA GLU A 147 9.520 -11.175 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 147 7.431 -9.778 6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 147 9.150 -9.438 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 147 7.372 -9.093 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 147 7.754 -7.806 4.960 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 17.173 3.267 -3.075 1.00 0.00 N HETATM 974 CA 2MR A1148 16.721 3.470 -1.700 1.00 0.00 C HETATM 975 CB 2MR A1148 16.327 2.132 -1.075 1.00 0.00 C HETATM 976 CG 2MR A1148 15.993 2.173 0.406 1.00 0.00 C HETATM 977 CD 2MR A1148 14.629 2.764 0.663 1.00 0.00 C HETATM 978 NE 2MR A1148 13.569 1.911 0.129 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.279 2.067 0.372 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.893 3.106 1.188 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.566 3.542 1.645 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.427 1.199 -0.211 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.974 1.102 -0.147 1.00 0.00 C HETATM 984 C 2MR A1148 17.820 4.133 -0.909 1.00 0.00 C HETATM 985 O 2MR A1148 17.608 5.241 -0.387 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.914 3.563 -0.808 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.665 0.946 0.887 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.531 2.024 -0.523 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.638 0.263 -0.757 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.951 3.799 0.783 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.090 2.736 2.203 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.672 4.415 2.289 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.874 0.492 -0.794 1.00 0.00 H new HETATM 0 HG3 2MR A1148 16.033 1.163 0.814 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.747 2.760 0.931 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.845 1.138 -0.476 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.485 2.898 1.735 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.567 3.752 0.207 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.464 1.740 -1.613 1.00 0.00 H new HETATM 0 HB2 2MR A1148 17.144 1.426 -1.226 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.843 4.116 -1.692 1.00 0.00 H new HETATM 0 H2 2MR A1148 17.473 4.064 -3.636 1.00 0.00 H new HETATM 0 H 2MR A1148 17.188 2.328 -3.474 1.00 0.00 H new