USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 THR OG1 : rot 86:sc= 0.701 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.22 K(o=1.9,f=0.82) USER MOD Set 2.1: A 128 TYR OH : rot -175:sc= 0.935 USER MOD Set 2.2: A 172 HIS : no HD1:sc= 0.891 K(o=-0.18,f=-6.9!) USER MOD Set 2.3: A 181 CYS SG : rot 49:sc= -2.01 USER MOD Set 3.1: A 117 SER OG : rot -107:sc= 1.1 USER MOD Set 3.2: A 119 ASN : amide:sc= 0.932 K(o=2,f=-1.3) USER MOD Single : A 109 LYS NZ :NH3+ 173:sc= 1.32 (180deg=1.28) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00542 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 131 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 134 LYS NZ :NH3+ -177:sc= 2.22 (180deg=2.21) USER MOD Single : A 139 MET CE :methyl -145:sc= 0 (180deg=-0.0289) USER MOD Single : A 141 MET CE :methyl -148:sc= 0 (180deg=-0.127) USER MOD Single : A 149 HIS : no HD1:sc= 0.763 K(o=0.76,f=-5.5!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.18 USER MOD Single : A 165 LYS NZ :NH3+ -176:sc= 1.01 (180deg=1) USER MOD Single : A 167 CYS SG : rot 85:sc= 0.083 USER MOD Single : A 170 HIS : no HD1:sc= 1.05 K(o=1,f=-3.2!) USER MOD Single : A 176 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 177 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0.992) USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -2.629 8.493 1.718 1.00 0.00 N ATOM 56 CA LYS A 109 -2.495 7.800 0.417 1.00 0.00 C ATOM 57 C LYS A 109 -1.564 6.575 0.423 1.00 0.00 C ATOM 58 O LYS A 109 -1.337 5.979 -0.629 1.00 0.00 O ATOM 59 CB LYS A 109 -2.185 8.814 -0.704 1.00 0.00 C ATOM 60 CG LYS A 109 -3.465 9.511 -1.220 1.00 0.00 C ATOM 61 CD LYS A 109 -3.653 9.351 -2.736 1.00 0.00 C ATOM 62 CE LYS A 109 -2.537 10.000 -3.562 1.00 0.00 C ATOM 63 NZ LYS A 109 -2.550 9.488 -4.957 1.00 0.00 N ATOM 0 HA LYS A 109 -3.466 7.353 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.488 9.565 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.692 8.302 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.332 9.098 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.422 10.572 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.703 8.289 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.609 9.789 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.663 11.083 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.570 9.793 -3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.867 10.024 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.290 8.481 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.502 9.601 -5.359 1.00 0.00 H new ATOM 77 N LYS A 110 -1.063 6.160 1.592 1.00 0.00 N ATOM 78 CA LYS A 110 -0.221 4.966 1.781 1.00 0.00 C ATOM 79 C LYS A 110 -0.657 4.173 3.017 1.00 0.00 C ATOM 80 O LYS A 110 -0.981 4.761 4.052 1.00 0.00 O ATOM 81 CB LYS A 110 1.260 5.390 1.841 1.00 0.00 C ATOM 82 CG LYS A 110 2.232 4.201 1.719 1.00 0.00 C ATOM 83 CD LYS A 110 3.708 4.630 1.670 1.00 0.00 C ATOM 84 CE LYS A 110 4.195 5.154 3.027 1.00 0.00 C ATOM 85 NZ LYS A 110 5.653 5.437 3.028 1.00 0.00 N ATOM 0 H LYS A 110 -1.236 6.661 2.464 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.345 4.294 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.462 6.101 1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.446 5.909 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.083 3.530 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.994 3.636 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.323 3.783 1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.836 5.405 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.650 6.063 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.968 4.420 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.938 5.789 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.176 4.564 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.867 6.156 2.308 1.00 0.00 H new ATOM 99 N ILE A 111 -0.633 2.844 2.917 1.00 0.00 N ATOM 100 CA ILE A 111 -0.918 1.917 4.023 1.00 0.00 C ATOM 101 C ILE A 111 0.302 1.053 4.339 1.00 0.00 C ATOM 102 O ILE A 111 1.109 0.729 3.468 1.00 0.00 O ATOM 103 CB ILE A 111 -2.160 1.021 3.755 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.856 -0.184 2.836 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.333 1.871 3.255 1.00 0.00 C ATOM 106 CD1 ILE A 111 -3.063 -1.061 2.477 1.00 0.00 C ATOM 0 H ILE A 111 -0.410 2.366 2.044 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.152 2.535 4.890 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.452 0.575 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.412 0.188 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.106 -0.809 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.195 1.230 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.589 2.617 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.050 2.372 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.740 -1.877 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.498 -1.471 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.809 -0.459 1.958 1.00 0.00 H new ATOM 118 N PHE A 112 0.384 0.668 5.604 1.00 0.00 N ATOM 119 CA PHE A 112 1.243 -0.371 6.150 1.00 0.00 C ATOM 120 C PHE A 112 0.496 -1.705 5.999 1.00 0.00 C ATOM 121 O PHE A 112 -0.721 -1.764 6.207 1.00 0.00 O ATOM 122 CB PHE A 112 1.445 -0.058 7.635 1.00 0.00 C ATOM 123 CG PHE A 112 2.377 -0.998 8.365 1.00 0.00 C ATOM 124 CD1 PHE A 112 3.741 -0.689 8.453 1.00 0.00 C ATOM 125 CD2 PHE A 112 1.886 -2.161 8.989 1.00 0.00 C ATOM 126 CE1 PHE A 112 4.610 -1.515 9.178 1.00 0.00 C ATOM 127 CE2 PHE A 112 2.755 -2.980 9.734 1.00 0.00 C ATOM 128 CZ PHE A 112 4.119 -2.657 9.831 1.00 0.00 C ATOM 0 H PHE A 112 -0.189 1.105 6.326 1.00 0.00 H new ATOM 0 HA PHE A 112 2.207 -0.423 5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.831 0.957 7.728 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.474 -0.076 8.130 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.125 0.191 7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.843 -2.424 8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.661 -1.273 9.235 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.373 -3.859 10.232 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.786 -3.284 10.405 1.00 0.00 H new ATOM 138 N VAL A 113 1.222 -2.781 5.694 1.00 0.00 N ATOM 139 CA VAL A 113 0.716 -4.159 5.619 1.00 0.00 C ATOM 140 C VAL A 113 1.554 -5.066 6.520 1.00 0.00 C ATOM 141 O VAL A 113 2.710 -5.347 6.202 1.00 0.00 O ATOM 142 CB VAL A 113 0.668 -4.673 4.165 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.043 -6.029 4.093 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.053 -3.702 3.218 1.00 0.00 C ATOM 0 H VAL A 113 2.218 -2.718 5.484 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.313 -4.172 5.980 1.00 0.00 H new ATOM 0 HB VAL A 113 1.706 -4.766 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.066 -6.373 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.493 -6.754 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.063 -5.925 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.057 -4.114 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.079 -3.559 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.465 -2.743 3.216 1.00 0.00 H new ATOM 154 N GLY A 114 0.996 -5.483 7.660 1.00 0.00 N ATOM 155 CA GLY A 114 1.713 -6.195 8.726 1.00 0.00 C ATOM 156 C GLY A 114 1.398 -7.689 8.823 1.00 0.00 C ATOM 157 O GLY A 114 0.240 -8.092 8.692 1.00 0.00 O ATOM 0 H GLY A 114 0.010 -5.332 7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.785 -6.073 8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.476 -5.725 9.681 1.00 0.00 H new ATOM 161 N GLY A 115 2.418 -8.502 9.110 1.00 0.00 N ATOM 162 CA GLY A 115 2.302 -9.953 9.314 1.00 0.00 C ATOM 163 C GLY A 115 2.403 -10.795 8.037 1.00 0.00 C ATOM 164 O GLY A 115 1.990 -11.956 8.042 1.00 0.00 O ATOM 0 H GLY A 115 3.375 -8.162 9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.083 -10.272 10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.347 -10.162 9.795 1.00 0.00 H new ATOM 168 N LEU A 116 2.927 -10.234 6.945 1.00 0.00 N ATOM 169 CA LEU A 116 3.135 -10.927 5.667 1.00 0.00 C ATOM 170 C LEU A 116 4.094 -12.113 5.851 1.00 0.00 C ATOM 171 O LEU A 116 5.233 -11.922 6.275 1.00 0.00 O ATOM 172 CB LEU A 116 3.713 -9.934 4.640 1.00 0.00 C ATOM 173 CG LEU A 116 2.689 -8.912 4.114 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.414 -7.707 3.522 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.832 -9.510 2.998 1.00 0.00 C ATOM 0 H LEU A 116 3.227 -9.259 6.922 1.00 0.00 H new ATOM 0 HA LEU A 116 2.180 -11.310 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.545 -9.398 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.119 -10.494 3.797 1.00 0.00 H new ATOM 0 HG LEU A 116 2.060 -8.624 4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.683 -6.988 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.027 -7.237 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.050 -8.033 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.119 -8.764 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.473 -9.816 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.292 -10.377 3.379 1.00 0.00 H new ATOM 187 N SER A 117 3.655 -13.327 5.501 1.00 0.00 N ATOM 188 CA SER A 117 4.501 -14.528 5.563 1.00 0.00 C ATOM 189 C SER A 117 5.695 -14.403 4.608 1.00 0.00 C ATOM 190 O SER A 117 5.556 -13.882 3.500 1.00 0.00 O ATOM 191 CB SER A 117 3.673 -15.782 5.268 1.00 0.00 C ATOM 192 OG SER A 117 4.470 -16.944 5.399 1.00 0.00 O ATOM 0 H SER A 117 2.708 -13.506 5.168 1.00 0.00 H new ATOM 0 HA SER A 117 4.899 -14.622 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.826 -15.835 5.953 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.264 -15.726 4.259 1.00 0.00 H new ATOM 0 HG SER A 117 4.662 -17.311 4.511 1.00 0.00 H new ATOM 198 N VAL A 118 6.880 -14.868 5.016 1.00 0.00 N ATOM 199 CA VAL A 118 8.151 -14.605 4.308 1.00 0.00 C ATOM 200 C VAL A 118 8.325 -15.216 2.906 1.00 0.00 C ATOM 201 O VAL A 118 9.250 -14.861 2.172 1.00 0.00 O ATOM 202 CB VAL A 118 9.354 -14.800 5.255 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.967 -16.202 5.175 1.00 0.00 C ATOM 204 CG2 VAL A 118 10.427 -13.739 5.002 1.00 0.00 C ATOM 0 H VAL A 118 6.992 -15.442 5.852 1.00 0.00 H new ATOM 0 HA VAL A 118 8.102 -13.551 4.035 1.00 0.00 H new ATOM 0 HB VAL A 118 8.963 -14.684 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.808 -16.272 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.215 -16.944 5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 118 10.315 -16.389 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 118 11.264 -13.898 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 118 10.777 -13.814 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 118 10.006 -12.748 5.171 1.00 0.00 H new ATOM 214 N ASN A 119 7.419 -16.110 2.503 1.00 0.00 N ATOM 215 CA ASN A 119 7.299 -16.617 1.129 1.00 0.00 C ATOM 216 C ASN A 119 6.596 -15.616 0.177 1.00 0.00 C ATOM 217 O ASN A 119 6.728 -15.731 -1.041 1.00 0.00 O ATOM 218 CB ASN A 119 6.578 -17.972 1.165 1.00 0.00 C ATOM 219 CG ASN A 119 5.127 -17.818 1.568 1.00 0.00 C ATOM 220 OD1 ASN A 119 4.793 -17.667 2.733 1.00 0.00 O ATOM 221 ND2 ASN A 119 4.228 -17.818 0.617 1.00 0.00 N ATOM 0 H ASN A 119 6.730 -16.513 3.138 1.00 0.00 H new ATOM 0 HA ASN A 119 8.301 -16.746 0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 119 6.636 -18.442 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 119 7.083 -18.636 1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 119 3.242 -17.691 0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 119 4.513 -17.945 -0.354 1.00 0.00 H new ATOM 228 N THR A 120 5.852 -14.645 0.719 1.00 0.00 N ATOM 229 CA THR A 120 5.148 -13.592 -0.033 1.00 0.00 C ATOM 230 C THR A 120 6.108 -12.571 -0.632 1.00 0.00 C ATOM 231 O THR A 120 7.046 -12.138 0.039 1.00 0.00 O ATOM 232 CB THR A 120 4.114 -12.877 0.857 1.00 0.00 C ATOM 233 OG1 THR A 120 3.229 -13.830 1.409 1.00 0.00 O ATOM 234 CG2 THR A 120 3.263 -11.840 0.127 1.00 0.00 C ATOM 0 H THR A 120 5.717 -14.565 1.727 1.00 0.00 H new ATOM 0 HA THR A 120 4.632 -14.088 -0.855 1.00 0.00 H new ATOM 0 HB THR A 120 4.697 -12.353 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.618 -14.202 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.563 -11.386 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.909 -11.069 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.709 -12.325 -0.677 1.00 0.00 H new ATOM 242 N THR A 121 5.844 -12.152 -1.872 1.00 0.00 N ATOM 243 CA THR A 121 6.561 -11.070 -2.564 1.00 0.00 C ATOM 244 C THR A 121 5.715 -9.829 -2.852 1.00 0.00 C ATOM 245 O THR A 121 4.484 -9.869 -2.811 1.00 0.00 O ATOM 246 CB THR A 121 7.348 -11.592 -3.776 1.00 0.00 C ATOM 247 OG1 THR A 121 8.349 -10.654 -4.103 1.00 0.00 O ATOM 248 CG2 THR A 121 6.492 -11.801 -5.024 1.00 0.00 C ATOM 0 H THR A 121 5.105 -12.566 -2.441 1.00 0.00 H new ATOM 0 HA THR A 121 7.301 -10.700 -1.854 1.00 0.00 H new ATOM 0 HB THR A 121 7.753 -12.561 -3.486 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.860 -10.976 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 121 7.118 -12.170 -5.837 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.708 -12.528 -4.810 1.00 0.00 H new ATOM 0 HG23 THR A 121 6.038 -10.854 -5.317 1.00 0.00 H new ATOM 256 N VAL A 122 6.374 -8.706 -3.148 1.00 0.00 N ATOM 257 CA VAL A 122 5.757 -7.390 -3.374 1.00 0.00 C ATOM 258 C VAL A 122 4.682 -7.378 -4.466 1.00 0.00 C ATOM 259 O VAL A 122 3.668 -6.695 -4.334 1.00 0.00 O ATOM 260 CB VAL A 122 6.865 -6.349 -3.626 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.550 -6.481 -4.993 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.324 -4.928 -3.491 1.00 0.00 C ATOM 0 H VAL A 122 7.390 -8.684 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 122 5.210 -7.125 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 122 7.615 -6.552 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.316 -5.712 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.011 -7.465 -5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.810 -6.359 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.127 -4.214 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.527 -4.772 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 122 5.931 -4.782 -2.485 1.00 0.00 H new ATOM 272 N GLU A 123 4.860 -8.181 -5.515 1.00 0.00 N ATOM 273 CA GLU A 123 3.890 -8.305 -6.608 1.00 0.00 C ATOM 274 C GLU A 123 2.589 -8.991 -6.158 1.00 0.00 C ATOM 275 O GLU A 123 1.514 -8.598 -6.607 1.00 0.00 O ATOM 276 CB GLU A 123 4.510 -9.081 -7.783 1.00 0.00 C ATOM 277 CG GLU A 123 5.790 -8.458 -8.370 1.00 0.00 C ATOM 278 CD GLU A 123 5.608 -7.073 -9.029 1.00 0.00 C ATOM 279 OE1 GLU A 123 4.460 -6.628 -9.273 1.00 0.00 O ATOM 280 OE2 GLU A 123 6.637 -6.423 -9.338 1.00 0.00 O ATOM 0 H GLU A 123 5.686 -8.768 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 123 3.635 -7.295 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.736 -10.094 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.767 -9.164 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 123 6.529 -8.369 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.201 -9.143 -9.111 1.00 0.00 H new ATOM 287 N ASP A 124 2.651 -9.961 -5.234 1.00 0.00 N ATOM 288 CA ASP A 124 1.455 -10.617 -4.671 1.00 0.00 C ATOM 289 C ASP A 124 0.594 -9.575 -3.942 1.00 0.00 C ATOM 290 O ASP A 124 -0.625 -9.525 -4.112 1.00 0.00 O ATOM 291 CB ASP A 124 1.836 -11.705 -3.645 1.00 0.00 C ATOM 292 CG ASP A 124 2.817 -12.789 -4.116 1.00 0.00 C ATOM 293 OD1 ASP A 124 3.479 -13.387 -3.232 1.00 0.00 O ATOM 294 OD2 ASP A 124 2.900 -13.078 -5.332 1.00 0.00 O ATOM 0 H ASP A 124 3.529 -10.315 -4.854 1.00 0.00 H new ATOM 0 HA ASP A 124 0.913 -11.074 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.267 -11.213 -2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.921 -12.196 -3.315 1.00 0.00 H new ATOM 299 N VAL A 125 1.248 -8.712 -3.158 1.00 0.00 N ATOM 300 CA VAL A 125 0.621 -7.635 -2.384 1.00 0.00 C ATOM 301 C VAL A 125 0.030 -6.560 -3.302 1.00 0.00 C ATOM 302 O VAL A 125 -1.136 -6.191 -3.141 1.00 0.00 O ATOM 303 CB VAL A 125 1.628 -7.061 -1.364 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.002 -5.980 -0.484 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.155 -8.164 -0.434 1.00 0.00 C ATOM 0 H VAL A 125 2.261 -8.745 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.217 -8.045 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 125 2.439 -6.630 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.747 -5.606 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.649 -5.160 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.163 -6.402 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.863 -7.735 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.322 -8.610 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.655 -8.931 -1.026 1.00 0.00 H new ATOM 315 N LYS A 126 0.785 -6.109 -4.315 1.00 0.00 N ATOM 316 CA LYS A 126 0.320 -5.140 -5.323 1.00 0.00 C ATOM 317 C LYS A 126 -0.903 -5.653 -6.094 1.00 0.00 C ATOM 318 O LYS A 126 -1.915 -4.956 -6.162 1.00 0.00 O ATOM 319 CB LYS A 126 1.490 -4.786 -6.257 1.00 0.00 C ATOM 320 CG LYS A 126 1.108 -3.773 -7.349 1.00 0.00 C ATOM 321 CD LYS A 126 2.335 -3.404 -8.190 1.00 0.00 C ATOM 322 CE LYS A 126 1.950 -2.424 -9.304 1.00 0.00 C ATOM 323 NZ LYS A 126 3.114 -2.105 -10.172 1.00 0.00 N ATOM 0 H LYS A 126 1.749 -6.410 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.012 -4.234 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.310 -4.380 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.859 -5.697 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.334 -4.195 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.690 -2.876 -6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.098 -2.957 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.769 -4.305 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.151 -2.853 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 126 1.560 -1.506 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 2.821 -1.440 -10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 3.867 -1.673 -9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.470 -2.978 -10.610 1.00 0.00 H new ATOM 337 N HIS A 127 -0.842 -6.877 -6.630 1.00 0.00 N ATOM 338 CA HIS A 127 -1.962 -7.489 -7.359 1.00 0.00 C ATOM 339 C HIS A 127 -3.188 -7.744 -6.475 1.00 0.00 C ATOM 340 O HIS A 127 -4.315 -7.576 -6.944 1.00 0.00 O ATOM 341 CB HIS A 127 -1.517 -8.775 -8.069 1.00 0.00 C ATOM 342 CG HIS A 127 -0.708 -8.509 -9.316 1.00 0.00 C ATOM 343 ND1 HIS A 127 -1.184 -7.874 -10.468 1.00 0.00 N ATOM 344 CD2 HIS A 127 0.535 -9.005 -9.577 1.00 0.00 C ATOM 345 CE1 HIS A 127 -0.194 -7.956 -11.374 1.00 0.00 C ATOM 346 NE2 HIS A 127 0.853 -8.627 -10.863 1.00 0.00 N ATOM 0 H HIS A 127 -0.016 -7.472 -6.571 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.273 -6.764 -8.111 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.925 -9.378 -7.380 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -2.397 -9.362 -8.331 1.00 0.00 H new ATOM 0 HD2 HIS A 127 1.152 -9.583 -8.905 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -0.234 -7.542 -12.371 1.00 0.00 H new ATOM 0 HE2 HIS A 127 1.731 -8.822 -11.344 1.00 0.00 H new ATOM 354 N TYR A 128 -2.995 -8.093 -5.197 1.00 0.00 N ATOM 355 CA TYR A 128 -4.097 -8.226 -4.243 1.00 0.00 C ATOM 356 C TYR A 128 -4.860 -6.926 -3.951 1.00 0.00 C ATOM 357 O TYR A 128 -6.082 -6.874 -4.113 1.00 0.00 O ATOM 358 CB TYR A 128 -3.674 -8.988 -2.975 1.00 0.00 C ATOM 359 CG TYR A 128 -4.720 -8.970 -1.873 1.00 0.00 C ATOM 360 CD1 TYR A 128 -5.661 -10.016 -1.794 1.00 0.00 C ATOM 361 CD2 TYR A 128 -4.783 -7.901 -0.958 1.00 0.00 C ATOM 362 CE1 TYR A 128 -6.671 -9.987 -0.812 1.00 0.00 C ATOM 363 CE2 TYR A 128 -5.801 -7.861 0.012 1.00 0.00 C ATOM 364 CZ TYR A 128 -6.750 -8.904 0.089 1.00 0.00 C ATOM 365 OH TYR A 128 -7.741 -8.877 1.021 1.00 0.00 O ATOM 0 H TYR A 128 -2.076 -8.289 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.839 -8.844 -4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -3.456 -10.023 -3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.749 -8.555 -2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -5.608 -10.842 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -4.048 -7.111 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -7.385 -10.794 -0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -5.857 -7.030 0.700 1.00 0.00 H new ATOM 0 HH TYR A 128 -7.708 -8.028 1.509 1.00 0.00 H new ATOM 375 N PHE A 129 -4.151 -5.859 -3.563 1.00 0.00 N ATOM 376 CA PHE A 129 -4.775 -4.577 -3.217 1.00 0.00 C ATOM 377 C PHE A 129 -5.501 -3.814 -4.338 1.00 0.00 C ATOM 378 O PHE A 129 -6.426 -3.046 -4.070 1.00 0.00 O ATOM 379 CB PHE A 129 -3.855 -3.704 -2.349 1.00 0.00 C ATOM 380 CG PHE A 129 -3.763 -4.152 -0.897 1.00 0.00 C ATOM 381 CD1 PHE A 129 -2.589 -4.763 -0.416 1.00 0.00 C ATOM 382 CD2 PHE A 129 -4.857 -3.984 -0.027 1.00 0.00 C ATOM 383 CE1 PHE A 129 -2.514 -5.209 0.916 1.00 0.00 C ATOM 384 CE2 PHE A 129 -4.780 -4.434 1.304 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.610 -5.048 1.777 1.00 0.00 C ATOM 0 H PHE A 129 -3.134 -5.860 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.625 -4.870 -2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.855 -3.706 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.214 -2.675 -2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -1.742 -4.890 -1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -5.759 -3.508 -0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.610 -5.677 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -5.625 -4.306 1.964 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.554 -5.395 2.798 1.00 0.00 H new ATOM 395 N GLU A 130 -5.158 -4.090 -5.601 1.00 0.00 N ATOM 396 CA GLU A 130 -5.844 -3.525 -6.774 1.00 0.00 C ATOM 397 C GLU A 130 -7.328 -3.918 -6.923 1.00 0.00 C ATOM 398 O GLU A 130 -8.049 -3.277 -7.692 1.00 0.00 O ATOM 399 CB GLU A 130 -5.061 -3.828 -8.066 1.00 0.00 C ATOM 400 CG GLU A 130 -3.878 -2.865 -8.239 1.00 0.00 C ATOM 401 CD GLU A 130 -3.220 -2.910 -9.632 1.00 0.00 C ATOM 402 OE1 GLU A 130 -2.470 -1.955 -9.949 1.00 0.00 O ATOM 403 OE2 GLU A 130 -3.454 -3.856 -10.422 1.00 0.00 O ATOM 0 H GLU A 130 -4.390 -4.717 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.860 -2.450 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.696 -4.855 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.727 -3.747 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.221 -1.849 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.124 -3.096 -7.487 1.00 0.00 H new ATOM 410 N GLN A 131 -7.826 -4.917 -6.177 1.00 0.00 N ATOM 411 CA GLN A 131 -9.248 -5.295 -6.198 1.00 0.00 C ATOM 412 C GLN A 131 -10.165 -4.182 -5.644 1.00 0.00 C ATOM 413 O GLN A 131 -11.325 -4.078 -6.050 1.00 0.00 O ATOM 414 CB GLN A 131 -9.445 -6.611 -5.422 1.00 0.00 C ATOM 415 CG GLN A 131 -9.395 -6.463 -3.893 1.00 0.00 C ATOM 416 CD GLN A 131 -9.375 -7.812 -3.183 1.00 0.00 C ATOM 417 OE1 GLN A 131 -10.397 -8.381 -2.819 1.00 0.00 O ATOM 418 NE2 GLN A 131 -8.234 -8.458 -3.133 1.00 0.00 N ATOM 0 H GLN A 131 -7.258 -5.482 -5.546 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.539 -5.441 -7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -10.406 -7.042 -5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -8.676 -7.319 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.508 -5.894 -3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -10.259 -5.890 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.374 -7.998 -3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.207 -9.420 -2.795 1.00 0.00 H new ATOM 427 N PHE A 132 -9.659 -3.357 -4.719 1.00 0.00 N ATOM 428 CA PHE A 132 -10.422 -2.293 -4.050 1.00 0.00 C ATOM 429 C PHE A 132 -10.432 -0.979 -4.843 1.00 0.00 C ATOM 430 O PHE A 132 -11.406 -0.226 -4.787 1.00 0.00 O ATOM 431 CB PHE A 132 -9.821 -2.073 -2.656 1.00 0.00 C ATOM 432 CG PHE A 132 -9.811 -3.332 -1.811 1.00 0.00 C ATOM 433 CD1 PHE A 132 -11.022 -3.911 -1.390 1.00 0.00 C ATOM 434 CD2 PHE A 132 -8.592 -3.962 -1.499 1.00 0.00 C ATOM 435 CE1 PHE A 132 -11.009 -5.119 -0.670 1.00 0.00 C ATOM 436 CE2 PHE A 132 -8.577 -5.155 -0.757 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.788 -5.737 -0.346 1.00 0.00 C ATOM 0 H PHE A 132 -8.689 -3.410 -4.408 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.462 -2.610 -3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.801 -1.704 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.389 -1.299 -2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.961 -3.428 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.662 -3.526 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.940 -5.574 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.637 -5.623 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.781 -6.658 0.218 1.00 0.00 H new ATOM 447 N GLY A 133 -9.347 -0.723 -5.572 1.00 0.00 N ATOM 448 CA GLY A 133 -9.071 0.464 -6.378 1.00 0.00 C ATOM 449 C GLY A 133 -7.591 0.507 -6.773 1.00 0.00 C ATOM 450 O GLY A 133 -6.788 -0.278 -6.266 1.00 0.00 O ATOM 0 H GLY A 133 -8.579 -1.392 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.693 0.457 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.331 1.361 -5.817 1.00 0.00 H new ATOM 454 N LYS A 134 -7.216 1.393 -7.700 1.00 0.00 N ATOM 455 CA LYS A 134 -5.883 1.393 -8.319 1.00 0.00 C ATOM 456 C LYS A 134 -4.775 1.694 -7.302 1.00 0.00 C ATOM 457 O LYS A 134 -4.858 2.624 -6.497 1.00 0.00 O ATOM 458 CB LYS A 134 -5.853 2.343 -9.532 1.00 0.00 C ATOM 459 CG LYS A 134 -4.545 2.285 -10.344 1.00 0.00 C ATOM 460 CD LYS A 134 -4.422 0.995 -11.176 1.00 0.00 C ATOM 461 CE LYS A 134 -3.109 0.928 -11.969 1.00 0.00 C ATOM 462 NZ LYS A 134 -1.959 0.496 -11.132 1.00 0.00 N ATOM 0 H LYS A 134 -7.828 2.133 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.679 0.387 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.688 2.101 -10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.007 3.364 -9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.495 3.148 -11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.696 2.357 -9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -4.487 0.132 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -5.263 0.931 -11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -3.227 0.236 -12.803 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.896 1.908 -12.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -1.089 0.516 -11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.858 1.140 -10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.125 -0.471 -10.787 1.00 0.00 H new ATOM 476 N VAL A 135 -3.718 0.895 -7.387 1.00 0.00 N ATOM 477 CA VAL A 135 -2.495 0.991 -6.579 1.00 0.00 C ATOM 478 C VAL A 135 -1.443 1.744 -7.394 1.00 0.00 C ATOM 479 O VAL A 135 -1.257 1.480 -8.584 1.00 0.00 O ATOM 480 CB VAL A 135 -2.042 -0.428 -6.186 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.650 -0.488 -5.552 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.067 -1.027 -5.210 1.00 0.00 C ATOM 0 H VAL A 135 -3.683 0.123 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.662 1.543 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.982 -1.001 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.407 -1.521 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.087 -0.100 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.637 0.115 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.755 -2.032 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.130 -0.401 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -4.044 -1.073 -5.691 1.00 0.00 H new ATOM 492 N ASP A 136 -0.768 2.700 -6.764 1.00 0.00 N ATOM 493 CA ASP A 136 0.323 3.478 -7.352 1.00 0.00 C ATOM 494 C ASP A 136 1.683 2.755 -7.330 1.00 0.00 C ATOM 495 O ASP A 136 2.386 2.701 -8.341 1.00 0.00 O ATOM 496 CB ASP A 136 0.374 4.866 -6.689 1.00 0.00 C ATOM 497 CG ASP A 136 1.625 5.678 -7.062 1.00 0.00 C ATOM 498 OD1 ASP A 136 1.863 5.906 -8.273 1.00 0.00 O ATOM 499 OD2 ASP A 136 2.347 6.131 -6.144 1.00 0.00 O ATOM 0 H ASP A 136 -0.970 2.965 -5.800 1.00 0.00 H new ATOM 0 HA ASP A 136 0.109 3.602 -8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.514 5.430 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.339 4.744 -5.606 1.00 0.00 H new ATOM 504 N ASP A 137 2.034 2.155 -6.186 1.00 0.00 N ATOM 505 CA ASP A 137 3.293 1.424 -5.975 1.00 0.00 C ATOM 506 C ASP A 137 3.174 0.523 -4.725 1.00 0.00 C ATOM 507 O ASP A 137 2.293 0.718 -3.883 1.00 0.00 O ATOM 508 CB ASP A 137 4.428 2.450 -5.760 1.00 0.00 C ATOM 509 CG ASP A 137 5.841 1.853 -5.891 1.00 0.00 C ATOM 510 OD1 ASP A 137 5.993 0.736 -6.442 1.00 0.00 O ATOM 511 OD2 ASP A 137 6.811 2.523 -5.463 1.00 0.00 O ATOM 0 H ASP A 137 1.436 2.164 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 137 3.507 0.800 -6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.317 3.257 -6.484 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.322 2.893 -4.770 1.00 0.00 H new ATOM 516 N ALA A 138 4.086 -0.440 -4.575 1.00 0.00 N ATOM 517 CA ALA A 138 4.227 -1.296 -3.393 1.00 0.00 C ATOM 518 C ALA A 138 5.710 -1.591 -3.079 1.00 0.00 C ATOM 519 O ALA A 138 6.555 -1.598 -3.977 1.00 0.00 O ATOM 520 CB ALA A 138 3.421 -2.586 -3.609 1.00 0.00 C ATOM 0 H ALA A 138 4.772 -0.654 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 138 3.830 -0.773 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.521 -3.228 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.370 -2.338 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.799 -3.109 -4.488 1.00 0.00 H new ATOM 526 N MET A 139 6.027 -1.861 -1.807 1.00 0.00 N ATOM 527 CA MET A 139 7.380 -2.203 -1.334 1.00 0.00 C ATOM 528 C MET A 139 7.334 -3.090 -0.081 1.00 0.00 C ATOM 529 O MET A 139 6.564 -2.812 0.835 1.00 0.00 O ATOM 530 CB MET A 139 8.202 -0.923 -1.076 1.00 0.00 C ATOM 531 CG MET A 139 7.587 0.030 -0.036 1.00 0.00 C ATOM 532 SD MET A 139 8.491 1.583 0.237 1.00 0.00 S ATOM 533 CE MET A 139 9.951 0.970 1.124 1.00 0.00 C ATOM 0 H MET A 139 5.335 -1.848 -1.058 1.00 0.00 H new ATOM 0 HA MET A 139 7.872 -2.777 -2.119 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.200 -1.208 -0.744 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.320 -0.386 -2.017 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.571 0.272 -0.347 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.512 -0.498 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 139 10.261 1.706 1.866 1.00 0.00 H new ATOM 0 HE2 MET A 139 9.706 0.032 1.623 1.00 0.00 H new ATOM 0 HE3 MET A 139 10.763 0.803 0.416 1.00 0.00 H new ATOM 543 N LEU A 140 8.164 -4.136 -0.013 1.00 0.00 N ATOM 544 CA LEU A 140 8.393 -4.923 1.211 1.00 0.00 C ATOM 545 C LEU A 140 9.784 -4.628 1.780 1.00 0.00 C ATOM 546 O LEU A 140 10.700 -4.259 1.037 1.00 0.00 O ATOM 547 CB LEU A 140 8.197 -6.434 0.978 1.00 0.00 C ATOM 548 CG LEU A 140 6.859 -6.853 0.344 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.740 -8.377 0.347 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.652 -6.291 1.090 1.00 0.00 C ATOM 0 H LEU A 140 8.703 -4.467 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 140 7.644 -4.619 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 140 9.006 -6.791 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.298 -6.945 1.936 1.00 0.00 H new ATOM 0 HG LEU A 140 6.858 -6.453 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.791 -8.669 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.561 -8.807 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.783 -8.743 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.736 -6.619 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.661 -6.650 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.696 -5.202 1.086 1.00 0.00 H new ATOM 562 N MET A 141 9.959 -4.797 3.093 1.00 0.00 N ATOM 563 CA MET A 141 11.219 -4.468 3.774 1.00 0.00 C ATOM 564 C MET A 141 12.243 -5.608 3.637 1.00 0.00 C ATOM 565 O MET A 141 12.498 -6.372 4.572 1.00 0.00 O ATOM 566 CB MET A 141 10.954 -4.030 5.221 1.00 0.00 C ATOM 567 CG MET A 141 9.906 -2.910 5.355 1.00 0.00 C ATOM 568 SD MET A 141 9.831 -1.611 4.082 1.00 0.00 S ATOM 569 CE MET A 141 11.471 -0.869 4.269 1.00 0.00 C ATOM 0 H MET A 141 9.237 -5.164 3.713 1.00 0.00 H new ATOM 0 HA MET A 141 11.679 -3.611 3.282 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.622 -4.894 5.796 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.891 -3.692 5.665 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.925 -3.382 5.401 1.00 0.00 H new ATOM 0 HG3 MET A 141 10.069 -2.420 6.315 1.00 0.00 H new ATOM 0 HE1 MET A 141 11.418 0.195 4.038 1.00 0.00 H new ATOM 0 HE2 MET A 141 11.815 -1.000 5.295 1.00 0.00 H new ATOM 0 HE3 MET A 141 12.170 -1.354 3.587 1.00 0.00 H new ATOM 699 N HIS A 149 12.150 -10.892 3.969 1.00 0.00 N ATOM 700 CA HIS A 149 11.780 -9.559 4.471 1.00 0.00 C ATOM 701 C HIS A 149 11.403 -9.577 5.956 1.00 0.00 C ATOM 702 O HIS A 149 11.214 -10.638 6.555 1.00 0.00 O ATOM 703 CB HIS A 149 10.655 -8.971 3.598 1.00 0.00 C ATOM 704 CG HIS A 149 9.440 -9.853 3.474 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.445 -10.017 4.442 1.00 0.00 N ATOM 706 CD2 HIS A 149 9.080 -10.532 2.349 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.517 -10.810 3.876 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.877 -11.137 2.623 1.00 0.00 N ATOM 0 HA HIS A 149 12.654 -8.913 4.397 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.351 -8.011 4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 149 11.050 -8.774 2.601 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.632 -10.585 1.422 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.609 -11.138 4.361 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.348 -11.732 1.985 1.00 0.00 H new ATOM 716 N ARG A 150 11.284 -8.385 6.553 1.00 0.00 N ATOM 717 CA ARG A 150 10.935 -8.179 7.979 1.00 0.00 C ATOM 718 C ARG A 150 9.499 -8.589 8.375 1.00 0.00 C ATOM 719 O ARG A 150 9.101 -8.394 9.524 1.00 0.00 O ATOM 720 CB ARG A 150 11.217 -6.721 8.393 1.00 0.00 C ATOM 721 CG ARG A 150 12.698 -6.313 8.320 1.00 0.00 C ATOM 722 CD ARG A 150 12.904 -4.834 8.688 1.00 0.00 C ATOM 723 NE ARG A 150 12.612 -4.542 10.109 1.00 0.00 N ATOM 724 CZ ARG A 150 12.408 -3.344 10.632 1.00 0.00 C ATOM 725 NH1 ARG A 150 12.570 -2.251 9.946 1.00 0.00 N ATOM 726 NH2 ARG A 150 12.017 -3.206 11.863 1.00 0.00 N ATOM 0 H ARG A 150 11.430 -7.509 6.051 1.00 0.00 H new ATOM 0 HA ARG A 150 11.580 -8.863 8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 150 10.638 -6.056 7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.862 -6.571 9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 150 13.281 -6.940 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 150 13.075 -6.493 7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 150 13.934 -4.552 8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 150 12.264 -4.217 8.058 1.00 0.00 H new ATOM 0 HE ARG A 150 12.563 -5.338 10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 150 12.864 -2.300 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 150 12.403 -1.345 10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 150 11.862 -4.030 12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 150 11.865 -2.274 12.248 1.00 0.00 H new ATOM 740 N GLY A 151 8.705 -9.132 7.450 1.00 0.00 N ATOM 741 CA GLY A 151 7.313 -9.532 7.683 1.00 0.00 C ATOM 742 C GLY A 151 6.285 -8.415 7.508 1.00 0.00 C ATOM 743 O GLY A 151 5.142 -8.565 7.943 1.00 0.00 O ATOM 0 H GLY A 151 9.018 -9.311 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 151 7.065 -10.345 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.229 -9.928 8.695 1.00 0.00 H new ATOM 747 N PHE A 152 6.668 -7.291 6.898 1.00 0.00 N ATOM 748 CA PHE A 152 5.761 -6.177 6.624 1.00 0.00 C ATOM 749 C PHE A 152 6.250 -5.385 5.401 1.00 0.00 C ATOM 750 O PHE A 152 7.376 -5.552 4.913 1.00 0.00 O ATOM 751 CB PHE A 152 5.677 -5.260 7.859 1.00 0.00 C ATOM 752 CG PHE A 152 6.911 -4.426 8.155 1.00 0.00 C ATOM 753 CD1 PHE A 152 6.981 -3.096 7.698 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.973 -4.957 8.912 1.00 0.00 C ATOM 755 CE1 PHE A 152 8.087 -2.292 8.022 1.00 0.00 C ATOM 756 CE2 PHE A 152 9.090 -4.158 9.215 1.00 0.00 C ATOM 757 CZ PHE A 152 9.145 -2.827 8.774 1.00 0.00 C ATOM 0 H PHE A 152 7.623 -7.128 6.579 1.00 0.00 H new ATOM 0 HA PHE A 152 4.767 -6.569 6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.830 -4.586 7.729 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.462 -5.877 8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 152 6.181 -2.692 7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 152 7.930 -5.978 9.260 1.00 0.00 H new ATOM 0 HE1 PHE A 152 8.123 -1.264 7.693 1.00 0.00 H new ATOM 0 HE2 PHE A 152 9.907 -4.570 9.788 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.001 -2.214 9.013 1.00 0.00 H new ATOM 767 N GLY A 153 5.384 -4.496 4.918 1.00 0.00 N ATOM 768 CA GLY A 153 5.681 -3.553 3.844 1.00 0.00 C ATOM 769 C GLY A 153 4.643 -2.437 3.722 1.00 0.00 C ATOM 770 O GLY A 153 3.793 -2.260 4.597 1.00 0.00 O ATOM 0 H GLY A 153 4.432 -4.410 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.662 -3.111 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.737 -4.094 2.899 1.00 0.00 H new ATOM 774 N PHE A 154 4.716 -1.700 2.616 1.00 0.00 N ATOM 775 CA PHE A 154 3.855 -0.569 2.277 1.00 0.00 C ATOM 776 C PHE A 154 3.177 -0.660 0.905 1.00 0.00 C ATOM 777 O PHE A 154 3.748 -1.212 -0.038 1.00 0.00 O ATOM 778 CB PHE A 154 4.626 0.748 2.424 1.00 0.00 C ATOM 779 CG PHE A 154 5.037 1.060 3.846 1.00 0.00 C ATOM 780 CD1 PHE A 154 4.182 1.785 4.695 1.00 0.00 C ATOM 781 CD2 PHE A 154 6.270 0.585 4.329 1.00 0.00 C ATOM 782 CE1 PHE A 154 4.563 2.040 6.022 1.00 0.00 C ATOM 783 CE2 PHE A 154 6.637 0.814 5.662 1.00 0.00 C ATOM 784 CZ PHE A 154 5.790 1.549 6.507 1.00 0.00 C ATOM 0 H PHE A 154 5.413 -1.885 1.895 1.00 0.00 H new ATOM 0 HA PHE A 154 3.034 -0.601 2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.518 0.708 1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.009 1.563 2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 154 3.233 2.145 4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 154 6.934 0.043 3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 154 3.916 2.612 6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.571 0.425 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.080 1.738 7.530 1.00 0.00 H new ATOM 794 N VAL A 155 1.987 -0.062 0.779 1.00 0.00 N ATOM 795 CA VAL A 155 1.241 0.080 -0.485 1.00 0.00 C ATOM 796 C VAL A 155 0.694 1.497 -0.646 1.00 0.00 C ATOM 797 O VAL A 155 -0.054 1.977 0.206 1.00 0.00 O ATOM 798 CB VAL A 155 0.123 -0.975 -0.639 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.475 -0.959 -2.049 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.599 -2.401 -0.352 1.00 0.00 C ATOM 0 H VAL A 155 1.499 0.350 1.574 1.00 0.00 H new ATOM 0 HA VAL A 155 1.952 -0.103 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.629 -0.697 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.258 -1.714 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.899 0.024 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.306 -1.176 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.233 -3.094 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.398 -2.664 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 155 0.971 -2.462 0.671 1.00 0.00 H new ATOM 810 N THR A 156 1.075 2.162 -1.735 1.00 0.00 N ATOM 811 CA THR A 156 0.617 3.500 -2.150 1.00 0.00 C ATOM 812 C THR A 156 -0.568 3.474 -3.113 1.00 0.00 C ATOM 813 O THR A 156 -0.631 2.603 -3.976 1.00 0.00 O ATOM 814 CB THR A 156 1.765 4.392 -2.664 1.00 0.00 C ATOM 815 OG1 THR A 156 2.977 4.119 -1.988 1.00 0.00 O ATOM 816 CG2 THR A 156 1.481 5.886 -2.503 1.00 0.00 C ATOM 0 H THR A 156 1.748 1.766 -2.392 1.00 0.00 H new ATOM 0 HA THR A 156 0.243 3.963 -1.237 1.00 0.00 H new ATOM 0 HB THR A 156 1.850 4.154 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.685 4.699 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.326 6.460 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.583 6.148 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.331 6.116 -1.448 1.00 0.00 H new ATOM 824 N PHE A 157 -1.505 4.415 -2.999 1.00 0.00 N ATOM 825 CA PHE A 157 -2.790 4.418 -3.698 1.00 0.00 C ATOM 826 C PHE A 157 -3.027 5.546 -4.703 1.00 0.00 C ATOM 827 O PHE A 157 -2.460 6.636 -4.592 1.00 0.00 O ATOM 828 CB PHE A 157 -3.937 4.236 -2.694 1.00 0.00 C ATOM 829 CG PHE A 157 -4.051 2.823 -2.151 1.00 0.00 C ATOM 830 CD1 PHE A 157 -4.990 1.925 -2.691 1.00 0.00 C ATOM 831 CD2 PHE A 157 -3.200 2.397 -1.115 1.00 0.00 C ATOM 832 CE1 PHE A 157 -5.085 0.614 -2.192 1.00 0.00 C ATOM 833 CE2 PHE A 157 -3.285 1.084 -0.629 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.230 0.190 -1.161 1.00 0.00 C ATOM 0 H PHE A 157 -1.385 5.227 -2.394 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.757 3.554 -4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.793 4.925 -1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -4.876 4.508 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -5.640 2.244 -3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -2.480 3.082 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -5.816 -0.068 -2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -2.621 0.758 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.299 -0.818 -0.779 1.00 0.00 H new ATOM 844 N GLU A 158 -3.909 5.310 -5.672 1.00 0.00 N ATOM 845 CA GLU A 158 -4.385 6.345 -6.600 1.00 0.00 C ATOM 846 C GLU A 158 -5.230 7.413 -5.875 1.00 0.00 C ATOM 847 O GLU A 158 -5.078 8.604 -6.159 1.00 0.00 O ATOM 848 CB GLU A 158 -5.128 5.667 -7.763 1.00 0.00 C ATOM 849 CG GLU A 158 -5.583 6.628 -8.877 1.00 0.00 C ATOM 850 CD GLU A 158 -6.958 7.302 -8.663 1.00 0.00 C ATOM 851 OE1 GLU A 158 -7.755 6.860 -7.801 1.00 0.00 O ATOM 852 OE2 GLU A 158 -7.263 8.271 -9.400 1.00 0.00 O ATOM 0 H GLU A 158 -4.319 4.391 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.536 6.889 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.479 4.907 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -6.002 5.150 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -4.830 7.408 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -5.612 6.077 -9.817 1.00 0.00 H new ATOM 859 N SER A 159 -6.025 7.014 -4.872 1.00 0.00 N ATOM 860 CA SER A 159 -6.854 7.908 -4.050 1.00 0.00 C ATOM 861 C SER A 159 -6.917 7.477 -2.581 1.00 0.00 C ATOM 862 O SER A 159 -7.033 6.290 -2.266 1.00 0.00 O ATOM 863 CB SER A 159 -8.265 7.991 -4.638 1.00 0.00 C ATOM 864 OG SER A 159 -9.100 8.807 -3.830 1.00 0.00 O ATOM 0 H SER A 159 -6.112 6.034 -4.603 1.00 0.00 H new ATOM 0 HA SER A 159 -6.384 8.891 -4.068 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.220 8.397 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.691 6.991 -4.715 1.00 0.00 H new ATOM 0 HG SER A 159 -9.996 8.849 -4.224 1.00 0.00 H new ATOM 870 N GLU A 160 -6.907 8.450 -1.671 1.00 0.00 N ATOM 871 CA GLU A 160 -7.169 8.266 -0.239 1.00 0.00 C ATOM 872 C GLU A 160 -8.583 7.724 0.050 1.00 0.00 C ATOM 873 O GLU A 160 -8.805 7.102 1.092 1.00 0.00 O ATOM 874 CB GLU A 160 -6.908 9.573 0.539 1.00 0.00 C ATOM 875 CG GLU A 160 -7.765 10.810 0.227 1.00 0.00 C ATOM 876 CD GLU A 160 -7.550 11.504 -1.138 1.00 0.00 C ATOM 877 OE1 GLU A 160 -8.362 12.400 -1.480 1.00 0.00 O ATOM 878 OE2 GLU A 160 -6.572 11.204 -1.862 1.00 0.00 O ATOM 0 H GLU A 160 -6.710 9.421 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.471 7.505 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -7.023 9.353 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -5.865 9.847 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -8.813 10.518 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -7.589 11.547 1.010 1.00 0.00 H new ATOM 885 N ASP A 161 -9.526 7.874 -0.889 1.00 0.00 N ATOM 886 CA ASP A 161 -10.833 7.214 -0.817 1.00 0.00 C ATOM 887 C ASP A 161 -10.776 5.678 -0.925 1.00 0.00 C ATOM 888 O ASP A 161 -11.643 4.981 -0.394 1.00 0.00 O ATOM 889 CB ASP A 161 -11.825 7.802 -1.837 1.00 0.00 C ATOM 890 CG ASP A 161 -12.320 9.233 -1.541 1.00 0.00 C ATOM 891 OD1 ASP A 161 -11.965 9.841 -0.503 1.00 0.00 O ATOM 892 OD2 ASP A 161 -13.106 9.758 -2.368 1.00 0.00 O ATOM 0 H ASP A 161 -9.403 8.455 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.198 7.426 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.353 7.797 -2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.691 7.143 -1.896 1.00 0.00 H new ATOM 897 N ILE A 162 -9.733 5.136 -1.573 1.00 0.00 N ATOM 898 CA ILE A 162 -9.445 3.695 -1.544 1.00 0.00 C ATOM 899 C ILE A 162 -8.781 3.317 -0.223 1.00 0.00 C ATOM 900 O ILE A 162 -9.144 2.305 0.364 1.00 0.00 O ATOM 901 CB ILE A 162 -8.563 3.240 -2.727 1.00 0.00 C ATOM 902 CG1 ILE A 162 -9.074 3.708 -4.096 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.435 1.707 -2.737 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.545 3.384 -4.395 1.00 0.00 C ATOM 0 H ILE A 162 -9.071 5.680 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.400 3.179 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.592 3.709 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.935 4.787 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.455 3.255 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.811 1.399 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -7.980 1.374 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.424 1.260 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.806 3.757 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.694 2.305 -4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.181 3.860 -3.649 1.00 0.00 H new ATOM 916 N VAL A 163 -7.855 4.130 0.293 1.00 0.00 N ATOM 917 CA VAL A 163 -7.145 3.815 1.545 1.00 0.00 C ATOM 918 C VAL A 163 -8.143 3.633 2.685 1.00 0.00 C ATOM 919 O VAL A 163 -8.049 2.648 3.411 1.00 0.00 O ATOM 920 CB VAL A 163 -6.134 4.916 1.905 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.582 4.784 3.331 1.00 0.00 C ATOM 922 CG2 VAL A 163 -4.990 4.844 0.899 1.00 0.00 C ATOM 0 H VAL A 163 -7.576 5.013 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.596 2.885 1.394 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.646 5.877 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.874 5.590 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.403 4.843 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -5.076 3.824 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.254 5.615 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.517 3.863 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.379 5.002 -0.107 1.00 0.00 H new ATOM 932 N GLU A 164 -9.132 4.520 2.823 1.00 0.00 N ATOM 933 CA GLU A 164 -10.158 4.376 3.871 1.00 0.00 C ATOM 934 C GLU A 164 -11.059 3.136 3.661 1.00 0.00 C ATOM 935 O GLU A 164 -11.409 2.461 4.632 1.00 0.00 O ATOM 936 CB GLU A 164 -10.970 5.676 4.034 1.00 0.00 C ATOM 937 CG GLU A 164 -11.956 5.989 2.899 1.00 0.00 C ATOM 938 CD GLU A 164 -12.778 7.278 3.127 1.00 0.00 C ATOM 939 OE1 GLU A 164 -13.654 7.581 2.282 1.00 0.00 O ATOM 940 OE2 GLU A 164 -12.591 7.985 4.149 1.00 0.00 O ATOM 0 H GLU A 164 -9.248 5.341 2.229 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.634 4.199 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.526 5.621 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -10.273 6.509 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -11.403 6.082 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -12.640 5.148 2.782 1.00 0.00 H new ATOM 947 N LYS A 165 -11.380 2.782 2.406 1.00 0.00 N ATOM 948 CA LYS A 165 -12.156 1.584 2.022 1.00 0.00 C ATOM 949 C LYS A 165 -11.426 0.287 2.386 1.00 0.00 C ATOM 950 O LYS A 165 -12.009 -0.620 2.978 1.00 0.00 O ATOM 951 CB LYS A 165 -12.439 1.676 0.511 1.00 0.00 C ATOM 952 CG LYS A 165 -13.188 0.487 -0.110 1.00 0.00 C ATOM 953 CD LYS A 165 -13.315 0.711 -1.626 1.00 0.00 C ATOM 954 CE LYS A 165 -14.021 -0.466 -2.309 1.00 0.00 C ATOM 955 NZ LYS A 165 -14.107 -0.259 -3.779 1.00 0.00 N ATOM 0 H LYS A 165 -11.098 3.340 1.600 1.00 0.00 H new ATOM 0 HA LYS A 165 -13.094 1.557 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -13.017 2.581 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.488 1.792 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.652 -0.441 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.176 0.388 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -13.871 1.629 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -12.324 0.844 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -13.481 -1.389 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -15.023 -0.582 -1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -14.648 -1.037 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -14.584 0.644 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -13.149 -0.240 -4.183 1.00 0.00 H new ATOM 969 N VAL A 166 -10.137 0.230 2.062 1.00 0.00 N ATOM 970 CA VAL A 166 -9.218 -0.874 2.390 1.00 0.00 C ATOM 971 C VAL A 166 -9.010 -0.974 3.907 1.00 0.00 C ATOM 972 O VAL A 166 -9.136 -2.059 4.475 1.00 0.00 O ATOM 973 CB VAL A 166 -7.869 -0.665 1.671 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.848 -1.749 2.021 1.00 0.00 C ATOM 975 CG2 VAL A 166 -8.014 -0.664 0.144 1.00 0.00 C ATOM 0 H VAL A 166 -9.678 0.979 1.543 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.659 -1.810 2.047 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.521 0.308 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.916 -1.556 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.662 -1.740 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.238 -2.724 1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -7.037 -0.513 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.425 -1.619 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.684 0.141 -0.157 1.00 0.00 H new ATOM 985 N CYS A 167 -8.738 0.149 4.578 1.00 0.00 N ATOM 986 CA CYS A 167 -8.484 0.194 6.024 1.00 0.00 C ATOM 987 C CYS A 167 -9.693 -0.198 6.893 1.00 0.00 C ATOM 988 O CYS A 167 -9.513 -0.777 7.965 1.00 0.00 O ATOM 989 CB CYS A 167 -7.934 1.568 6.433 1.00 0.00 C ATOM 990 SG CYS A 167 -6.223 1.753 5.850 1.00 0.00 S ATOM 0 H CYS A 167 -8.687 1.063 4.129 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.731 -0.571 6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.557 2.358 6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -7.971 1.675 7.517 1.00 0.00 H new ATOM 0 HG CYS A 167 -6.227 2.168 4.618 1.00 0.00 H new ATOM 996 N GLU A 168 -10.922 0.061 6.436 1.00 0.00 N ATOM 997 CA GLU A 168 -12.161 -0.342 7.103 1.00 0.00 C ATOM 998 C GLU A 168 -12.351 -1.873 7.171 1.00 0.00 C ATOM 999 O GLU A 168 -12.991 -2.377 8.099 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.298 0.368 6.348 1.00 0.00 C ATOM 1001 CG GLU A 168 -14.725 -0.078 6.665 1.00 0.00 C ATOM 1002 CD GLU A 168 -15.212 0.216 8.102 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -14.487 0.849 8.910 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -16.363 -0.168 8.429 1.00 0.00 O ATOM 0 H GLU A 168 -11.085 0.571 5.568 1.00 0.00 H new ATOM 0 HA GLU A 168 -12.143 -0.046 8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.224 1.436 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -13.131 0.234 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -15.403 0.409 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.799 -1.151 6.488 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.765 -2.626 6.230 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.759 -4.103 6.236 1.00 0.00 C ATOM 1013 C ILE A 169 -10.837 -4.650 7.343 1.00 0.00 C ATOM 1014 O ILE A 169 -11.144 -5.677 7.950 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.374 -4.634 4.835 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.441 -4.210 3.796 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.203 -6.162 4.811 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -11.948 -4.283 2.349 1.00 0.00 C ATOM 0 H ILE A 169 -11.274 -2.225 5.431 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.763 -4.462 6.464 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.410 -4.195 4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.317 -4.849 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.761 -3.191 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.933 -6.482 3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.416 -6.451 5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -12.139 -6.638 5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.747 -3.972 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.090 -3.622 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.655 -5.307 2.116 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.753 -3.920 7.648 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.774 -4.124 8.735 1.00 0.00 C ATOM 1032 C HIS A 170 -7.888 -5.375 8.602 1.00 0.00 C ATOM 1033 O HIS A 170 -6.662 -5.267 8.675 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.479 -4.036 10.101 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.571 -3.949 11.307 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.960 -4.261 12.615 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -7.262 -3.563 11.323 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.873 -4.069 13.382 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.840 -3.654 12.630 1.00 0.00 N ATOM 0 H HIS A 170 -9.515 -3.098 7.093 1.00 0.00 H new ATOM 0 HA HIS A 170 -8.055 -3.309 8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -10.130 -3.162 10.097 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -10.120 -4.910 10.215 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.672 -3.248 10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.835 -4.226 14.450 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.902 -3.442 12.970 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.489 -6.539 8.355 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.814 -7.806 8.061 1.00 0.00 C ATOM 1049 C PHE A 171 -8.026 -8.387 6.656 1.00 0.00 C ATOM 1050 O PHE A 171 -9.157 -8.622 6.230 1.00 0.00 O ATOM 1051 CB PHE A 171 -7.935 -8.821 9.203 1.00 0.00 C ATOM 1052 CG PHE A 171 -6.974 -8.566 10.348 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -7.334 -7.709 11.405 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -5.703 -9.176 10.345 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -6.432 -7.469 12.458 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -4.804 -8.939 11.400 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.168 -8.085 12.457 1.00 0.00 C ATOM 0 H PHE A 171 -9.505 -6.630 8.354 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.760 -7.532 8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -8.955 -8.804 9.586 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.759 -9.822 8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -8.304 -7.235 11.408 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -5.419 -9.827 9.531 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.711 -6.811 13.268 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -3.834 -9.413 11.399 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.477 -7.903 13.267 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.921 -8.626 5.952 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.846 -9.009 4.537 1.00 0.00 C ATOM 1069 C HIS A 172 -6.129 -10.356 4.372 1.00 0.00 C ATOM 1070 O HIS A 172 -5.363 -10.749 5.249 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.130 -7.879 3.785 1.00 0.00 C ATOM 1072 CG HIS A 172 -6.960 -6.622 3.639 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.723 -6.267 2.520 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.088 -5.642 4.580 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.259 -5.066 2.808 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.889 -4.670 4.033 1.00 0.00 N ATOM 0 H HIS A 172 -5.997 -8.554 6.377 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.845 -9.144 4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.206 -7.635 4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -5.849 -8.235 2.794 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.645 -5.633 5.565 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.897 -4.501 2.145 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.157 -3.795 4.483 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.361 -11.078 3.272 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.812 -12.429 3.060 1.00 0.00 C ATOM 1086 C GLU A 173 -4.864 -12.482 1.849 1.00 0.00 C ATOM 1087 O GLU A 173 -5.302 -12.314 0.711 1.00 0.00 O ATOM 1088 CB GLU A 173 -6.965 -13.442 2.936 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.453 -14.890 2.839 1.00 0.00 C ATOM 1090 CD GLU A 173 -7.569 -15.949 2.713 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -7.223 -17.140 2.518 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -8.779 -15.624 2.792 1.00 0.00 O ATOM 0 H GLU A 173 -6.936 -10.745 2.498 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.207 -12.698 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.625 -13.348 3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.560 -13.208 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -5.791 -14.972 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -5.855 -15.112 3.723 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.573 -12.751 2.081 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.526 -12.786 1.041 1.00 0.00 C ATOM 1101 C ILE A 174 -1.702 -14.070 1.183 1.00 0.00 C ATOM 1102 O ILE A 174 -1.203 -14.373 2.266 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.642 -11.513 1.076 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.519 -10.240 0.964 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.595 -11.580 -0.056 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.755 -8.915 0.911 1.00 0.00 C ATOM 0 H ILE A 174 -3.215 -12.955 3.014 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.003 -12.794 0.061 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.115 -11.463 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.133 -10.321 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.200 -10.213 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 174 0.026 -10.685 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 174 0.032 -12.461 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.103 -11.642 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.463 -8.090 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -1.162 -8.800 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.095 -8.910 0.044 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.595 -14.854 0.103 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.022 -16.212 0.112 1.00 0.00 C ATOM 1120 C ASN A 175 -1.616 -17.112 1.226 1.00 0.00 C ATOM 1121 O ASN A 175 -0.913 -17.886 1.879 1.00 0.00 O ATOM 1122 CB ASN A 175 0.518 -16.148 0.081 1.00 0.00 C ATOM 1123 CG ASN A 175 1.066 -15.559 -1.210 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.612 -15.851 -2.308 1.00 0.00 O ATOM 1125 ND2 ASN A 175 2.096 -14.757 -1.120 1.00 0.00 N ATOM 0 H ASN A 175 -1.910 -14.559 -0.821 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.323 -16.719 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.868 -15.550 0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.920 -17.152 0.214 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.520 -14.375 -1.965 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.474 -14.514 -0.205 1.00 0.00 H new ATOM 1132 N ASN A 176 -2.923 -16.950 1.478 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.709 -17.535 2.575 1.00 0.00 C ATOM 1134 C ASN A 176 -3.288 -17.156 4.018 1.00 0.00 C ATOM 1135 O ASN A 176 -3.890 -17.650 4.975 1.00 0.00 O ATOM 1136 CB ASN A 176 -3.918 -19.047 2.355 1.00 0.00 C ATOM 1137 CG ASN A 176 -4.604 -19.373 1.037 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -4.049 -20.037 0.171 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -5.826 -18.935 0.832 1.00 0.00 N ATOM 0 H ASN A 176 -3.501 -16.364 0.876 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.681 -17.045 2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -2.951 -19.549 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -4.513 -19.448 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -6.304 -19.149 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -6.296 -18.381 1.548 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.309 -16.256 4.204 1.00 0.00 N ATOM 1147 CA LYS A 177 -1.977 -15.641 5.501 1.00 0.00 C ATOM 1148 C LYS A 177 -2.849 -14.400 5.735 1.00 0.00 C ATOM 1149 O LYS A 177 -3.060 -13.607 4.817 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.464 -15.329 5.564 1.00 0.00 C ATOM 1151 CG LYS A 177 0.022 -14.616 6.831 1.00 0.00 C ATOM 1152 CD LYS A 177 -0.102 -15.502 8.079 1.00 0.00 C ATOM 1153 CE LYS A 177 -0.001 -14.654 9.344 1.00 0.00 C ATOM 1154 NZ LYS A 177 1.381 -14.188 9.617 1.00 0.00 N ATOM 0 H LYS A 177 -1.714 -15.929 3.443 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.195 -16.339 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.085 -16.266 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.204 -14.714 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 177 1.062 -14.317 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -0.556 -13.703 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -1.054 -16.032 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 177 0.683 -16.258 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -0.659 -13.790 9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -0.358 -15.235 10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 1.424 -13.765 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 2.035 -14.995 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 1.654 -13.477 8.909 1.00 0.00 H new ATOM 1168 N MET A 178 -3.337 -14.215 6.962 1.00 0.00 N ATOM 1169 CA MET A 178 -4.065 -13.011 7.370 1.00 0.00 C ATOM 1170 C MET A 178 -3.088 -11.894 7.745 1.00 0.00 C ATOM 1171 O MET A 178 -2.154 -12.120 8.518 1.00 0.00 O ATOM 1172 CB MET A 178 -5.026 -13.306 8.533 1.00 0.00 C ATOM 1173 CG MET A 178 -6.121 -14.321 8.173 1.00 0.00 C ATOM 1174 SD MET A 178 -7.090 -13.981 6.671 1.00 0.00 S ATOM 1175 CE MET A 178 -7.839 -12.381 7.087 1.00 0.00 C ATOM 0 H MET A 178 -3.238 -14.903 7.709 1.00 0.00 H new ATOM 0 HA MET A 178 -4.663 -12.678 6.522 1.00 0.00 H new ATOM 0 HB2 MET A 178 -4.454 -13.684 9.381 1.00 0.00 H new ATOM 0 HB3 MET A 178 -5.494 -12.375 8.854 1.00 0.00 H new ATOM 0 HG2 MET A 178 -5.654 -15.300 8.062 1.00 0.00 H new ATOM 0 HG3 MET A 178 -6.811 -14.390 9.014 1.00 0.00 H new ATOM 0 HE1 MET A 178 -8.463 -12.045 6.259 1.00 0.00 H new ATOM 0 HE2 MET A 178 -8.451 -12.488 7.982 1.00 0.00 H new ATOM 0 HE3 MET A 178 -7.053 -11.648 7.270 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.313 -10.693 7.213 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.453 -9.514 7.393 1.00 0.00 C ATOM 1187 C VAL A 179 -3.265 -8.270 7.746 1.00 0.00 C ATOM 1188 O VAL A 179 -4.413 -8.117 7.325 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.554 -9.255 6.167 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.659 -10.462 5.892 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.314 -8.900 4.883 1.00 0.00 C ATOM 0 H VAL A 179 -4.124 -10.503 6.625 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.798 -9.736 8.235 1.00 0.00 H new ATOM 0 HB VAL A 179 -0.961 -8.380 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.032 -10.260 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.027 -10.651 6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.278 -11.337 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.603 -8.735 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -2.982 -9.719 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -2.897 -7.993 5.044 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.665 -7.381 8.533 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.318 -6.162 9.027 1.00 0.00 C ATOM 1203 C GLU A 180 -2.990 -4.945 8.148 1.00 0.00 C ATOM 1204 O GLU A 180 -1.812 -4.625 7.958 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.898 -5.898 10.484 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.783 -4.827 11.142 1.00 0.00 C ATOM 1207 CD GLU A 180 -3.383 -4.480 12.591 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -4.112 -3.687 13.235 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -2.343 -4.967 13.093 1.00 0.00 O ATOM 0 H GLU A 180 -1.702 -7.484 8.852 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.396 -6.316 8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.961 -6.824 11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.857 -5.577 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.745 -3.920 10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.817 -5.171 11.135 1.00 0.00 H new ATOM 1216 N CYS A 181 -4.010 -4.242 7.644 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.844 -2.932 7.005 1.00 0.00 C ATOM 1218 C CYS A 181 -3.964 -1.798 8.042 1.00 0.00 C ATOM 1219 O CYS A 181 -4.882 -1.794 8.869 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.829 -2.741 5.844 1.00 0.00 C ATOM 1221 SG CYS A 181 -6.539 -2.887 6.418 1.00 0.00 S ATOM 0 H CYS A 181 -4.977 -4.566 7.668 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.841 -2.892 6.581 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -4.676 -1.762 5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.636 -3.485 5.071 1.00 0.00 H new ATOM 0 HG CYS A 181 -6.708 -2.146 7.473 1.00 0.00 H new ATOM 1227 N LYS A 182 -3.062 -0.813 7.979 1.00 0.00 N ATOM 1228 CA LYS A 182 -3.057 0.389 8.840 1.00 0.00 C ATOM 1229 C LYS A 182 -2.627 1.607 8.021 1.00 0.00 C ATOM 1230 O LYS A 182 -1.816 1.460 7.111 1.00 0.00 O ATOM 1231 CB LYS A 182 -2.115 0.192 10.052 1.00 0.00 C ATOM 1232 CG LYS A 182 -2.395 -1.077 10.881 1.00 0.00 C ATOM 1233 CD LYS A 182 -1.445 -1.264 12.074 1.00 0.00 C ATOM 1234 CE LYS A 182 -0.011 -1.540 11.608 1.00 0.00 C ATOM 1235 NZ LYS A 182 0.867 -1.987 12.717 1.00 0.00 N ATOM 0 H LYS A 182 -2.291 -0.824 7.311 1.00 0.00 H new ATOM 0 HA LYS A 182 -4.065 0.553 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -1.086 0.157 9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -2.196 1.062 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -3.421 -1.040 11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -2.321 -1.948 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -1.461 -0.370 12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -1.794 -2.091 12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -0.025 -2.303 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.404 -0.636 11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.825 -2.161 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.904 -1.250 13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 0.488 -2.864 13.128 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.098 2.816 8.342 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.582 4.054 7.718 1.00 0.00 C ATOM 1251 C LYS A 183 -1.088 4.231 8.028 1.00 0.00 C ATOM 1252 O LYS A 183 -0.666 4.024 9.168 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.392 5.280 8.170 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.829 5.268 7.619 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.645 6.424 8.214 1.00 0.00 C ATOM 1256 CE LYS A 183 -7.083 6.396 7.682 1.00 0.00 C ATOM 1257 NZ LYS A 183 -7.929 7.405 8.372 1.00 0.00 N ATOM 0 H LYS A 183 -3.835 2.971 9.029 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.696 3.965 6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.423 5.310 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.887 6.188 7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.808 5.352 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.307 4.318 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.652 6.350 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.176 7.375 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -7.081 6.591 6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.507 5.402 7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -8.897 7.364 7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -7.948 7.203 9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -7.535 8.355 8.215 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.285 4.591 7.026 1.00 0.00 N ATOM 1272 CA ALA A 184 1.152 4.786 7.213 1.00 0.00 C ATOM 1273 C ALA A 184 1.458 6.057 8.035 1.00 0.00 C ATOM 1274 O ALA A 184 0.870 7.114 7.794 1.00 0.00 O ATOM 1275 CB ALA A 184 1.841 4.808 5.843 1.00 0.00 C ATOM 0 H ALA A 184 -0.608 4.754 6.072 1.00 0.00 H new ATOM 0 HA ALA A 184 1.549 3.952 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.913 4.953 5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.664 3.862 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.436 5.625 5.245 1.00 0.00 H new