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 180:sc= 0.64 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.23 K(o=1.9,f=0.38) USER MOD Set 2.1: A 172 HIS : no HD1:sc= 0.729 K(o=1.4,f=-3!) USER MOD Set 2.2: A 181 CYS SG : rot -143:sc= 0.655 USER MOD Set 3.1: A 117 SER OG : rot 139:sc= 0.468 USER MOD Set 3.2: A 119 ASN : amide:sc= 0.506 K(o=0.97,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.13) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 155:sc= 1.86 (180deg=1.24) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0.861 K(o=0.86,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl -176:sc= -0.0137 (180deg=-0.0178) USER MOD Single : A 149 HIS : no HD1:sc= 0.833 K(o=0.83,f=-5.2!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 CYS SG : rot -20:sc= -0.186 USER MOD Single : A 170 HIS : no HD1:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 176 ASN : amide:sc= 0.873 K(o=0.87,f=-0.21) USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MET CE :methyl -169:sc= -0.0974 (180deg=-0.385) USER MOD Single : A 182 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.18) USER MOD Single : A 183 LYS NZ :NH3+ -175:sc= 1.15 (180deg=0.97) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -2.315 8.760 0.887 1.00 0.00 N ATOM 56 CA LYS A 109 -2.515 7.681 -0.098 1.00 0.00 C ATOM 57 C LYS A 109 -1.723 6.391 0.181 1.00 0.00 C ATOM 58 O LYS A 109 -1.655 5.534 -0.696 1.00 0.00 O ATOM 59 CB LYS A 109 -2.315 8.206 -1.535 1.00 0.00 C ATOM 60 CG LYS A 109 -3.391 9.226 -1.943 1.00 0.00 C ATOM 61 CD LYS A 109 -3.382 9.437 -3.461 1.00 0.00 C ATOM 62 CE LYS A 109 -4.262 10.623 -3.864 1.00 0.00 C ATOM 63 NZ LYS A 109 -4.248 10.850 -5.333 1.00 0.00 N ATOM 0 HA LYS A 109 -3.554 7.369 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.331 8.668 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.331 7.367 -2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.373 8.875 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.212 10.175 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.360 9.608 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.736 8.534 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.285 10.444 -3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.915 11.522 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.842 11.672 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.273 11.029 -5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.619 10.008 -5.818 1.00 0.00 H new ATOM 77 N LYS A 110 -1.124 6.227 1.369 1.00 0.00 N ATOM 78 CA LYS A 110 -0.257 5.078 1.708 1.00 0.00 C ATOM 79 C LYS A 110 -0.726 4.320 2.958 1.00 0.00 C ATOM 80 O LYS A 110 -1.083 4.929 3.968 1.00 0.00 O ATOM 81 CB LYS A 110 1.205 5.557 1.807 1.00 0.00 C ATOM 82 CG LYS A 110 2.215 4.395 1.788 1.00 0.00 C ATOM 83 CD LYS A 110 3.681 4.864 1.753 1.00 0.00 C ATOM 84 CE LYS A 110 4.138 5.452 3.096 1.00 0.00 C ATOM 85 NZ LYS A 110 5.583 5.803 3.083 1.00 0.00 N ATOM 0 H LYS A 110 -1.226 6.894 2.134 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.327 4.344 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.419 6.232 0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.334 6.130 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.060 3.774 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.020 3.768 0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.323 4.023 1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.802 5.614 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.550 6.342 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.946 4.732 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.853 6.197 4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.146 4.950 2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.762 6.509 2.340 1.00 0.00 H new ATOM 99 N ILE A 111 -0.670 2.989 2.906 1.00 0.00 N ATOM 100 CA ILE A 111 -0.897 2.090 4.052 1.00 0.00 C ATOM 101 C ILE A 111 0.342 1.248 4.359 1.00 0.00 C ATOM 102 O ILE A 111 1.153 0.935 3.488 1.00 0.00 O ATOM 103 CB ILE A 111 -2.113 1.145 3.851 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.862 0.104 2.737 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.397 1.950 3.618 1.00 0.00 C ATOM 106 CD1 ILE A 111 -3.040 -0.824 2.420 1.00 0.00 C ATOM 0 H ILE A 111 -0.460 2.486 2.044 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.113 2.746 4.895 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.247 0.576 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.584 0.633 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.007 -0.509 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.235 1.267 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.588 2.588 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.282 2.568 2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.756 -1.514 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.308 -1.389 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.895 -0.230 2.097 1.00 0.00 H new ATOM 118 N PHE A 112 0.431 0.871 5.625 1.00 0.00 N ATOM 119 CA PHE A 112 1.288 -0.156 6.189 1.00 0.00 C ATOM 120 C PHE A 112 0.538 -1.497 6.118 1.00 0.00 C ATOM 121 O PHE A 112 -0.662 -1.547 6.409 1.00 0.00 O ATOM 122 CB PHE A 112 1.566 0.220 7.648 1.00 0.00 C ATOM 123 CG PHE A 112 2.421 -0.784 8.387 1.00 0.00 C ATOM 124 CD1 PHE A 112 1.843 -1.885 9.049 1.00 0.00 C ATOM 125 CD2 PHE A 112 3.812 -0.621 8.392 1.00 0.00 C ATOM 126 CE1 PHE A 112 2.665 -2.817 9.709 1.00 0.00 C ATOM 127 CE2 PHE A 112 4.629 -1.543 9.054 1.00 0.00 C ATOM 128 CZ PHE A 112 4.060 -2.647 9.712 1.00 0.00 C ATOM 0 H PHE A 112 -0.143 1.314 6.343 1.00 0.00 H new ATOM 0 HA PHE A 112 2.229 -0.241 5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.059 1.192 7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.617 0.329 8.172 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.771 -2.014 9.050 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.256 0.221 7.882 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.224 -3.664 10.214 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.700 -1.406 9.060 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.692 -3.362 10.218 1.00 0.00 H new ATOM 138 N VAL A 113 1.234 -2.581 5.776 1.00 0.00 N ATOM 139 CA VAL A 113 0.695 -3.947 5.696 1.00 0.00 C ATOM 140 C VAL A 113 1.605 -4.906 6.452 1.00 0.00 C ATOM 141 O VAL A 113 2.730 -5.139 6.016 1.00 0.00 O ATOM 142 CB VAL A 113 0.499 -4.403 4.236 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.192 -5.771 4.171 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.321 -3.391 3.431 1.00 0.00 C ATOM 0 H VAL A 113 2.225 -2.535 5.538 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.290 -3.951 6.162 1.00 0.00 H new ATOM 0 HB VAL A 113 1.494 -4.478 3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.317 -6.066 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.418 -6.512 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.169 -5.708 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.437 -3.748 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.304 -3.273 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.193 -2.430 3.423 1.00 0.00 H new ATOM 154 N GLY A 114 1.137 -5.446 7.581 1.00 0.00 N ATOM 155 CA GLY A 114 1.922 -6.296 8.485 1.00 0.00 C ATOM 156 C GLY A 114 1.334 -7.694 8.684 1.00 0.00 C ATOM 157 O GLY A 114 0.117 -7.869 8.691 1.00 0.00 O ATOM 0 H GLY A 114 0.179 -5.302 7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.934 -6.390 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.001 -5.804 9.454 1.00 0.00 H new ATOM 161 N GLY A 115 2.204 -8.689 8.864 1.00 0.00 N ATOM 162 CA GLY A 115 1.843 -10.104 9.014 1.00 0.00 C ATOM 163 C GLY A 115 2.023 -10.946 7.743 1.00 0.00 C ATOM 164 O GLY A 115 1.523 -12.069 7.677 1.00 0.00 O ATOM 0 H GLY A 115 3.210 -8.530 8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.448 -10.538 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.803 -10.168 9.333 1.00 0.00 H new ATOM 168 N LEU A 116 2.714 -10.419 6.725 1.00 0.00 N ATOM 169 CA LEU A 116 3.018 -11.125 5.475 1.00 0.00 C ATOM 170 C LEU A 116 3.885 -12.368 5.744 1.00 0.00 C ATOM 171 O LEU A 116 4.844 -12.304 6.517 1.00 0.00 O ATOM 172 CB LEU A 116 3.772 -10.188 4.507 1.00 0.00 C ATOM 173 CG LEU A 116 3.002 -8.936 4.048 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.967 -7.943 3.405 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.952 -9.281 2.995 1.00 0.00 C ATOM 0 H LEU A 116 3.085 -9.469 6.748 1.00 0.00 H new ATOM 0 HA LEU A 116 2.074 -11.438 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.696 -9.867 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.055 -10.761 3.624 1.00 0.00 H new ATOM 0 HG LEU A 116 2.520 -8.514 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.417 -7.059 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.727 -7.653 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.446 -8.407 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.427 -8.374 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.440 -9.724 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.238 -9.991 3.412 1.00 0.00 H new ATOM 187 N SER A 117 3.602 -13.482 5.061 1.00 0.00 N ATOM 188 CA SER A 117 4.501 -14.645 5.065 1.00 0.00 C ATOM 189 C SER A 117 5.813 -14.297 4.352 1.00 0.00 C ATOM 190 O SER A 117 5.793 -13.629 3.315 1.00 0.00 O ATOM 191 CB SER A 117 3.843 -15.855 4.392 1.00 0.00 C ATOM 192 OG SER A 117 4.730 -16.966 4.400 1.00 0.00 O ATOM 0 H SER A 117 2.760 -13.605 4.499 1.00 0.00 H new ATOM 0 HA SER A 117 4.713 -14.907 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.921 -16.113 4.913 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.570 -15.606 3.366 1.00 0.00 H new ATOM 0 HG SER A 117 4.230 -17.782 4.611 1.00 0.00 H new ATOM 198 N VAL A 118 6.952 -14.791 4.844 1.00 0.00 N ATOM 199 CA VAL A 118 8.273 -14.610 4.201 1.00 0.00 C ATOM 200 C VAL A 118 8.378 -15.204 2.784 1.00 0.00 C ATOM 201 O VAL A 118 9.290 -14.859 2.034 1.00 0.00 O ATOM 202 CB VAL A 118 9.429 -15.077 5.114 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.288 -14.574 6.557 1.00 0.00 C ATOM 204 CG2 VAL A 118 9.580 -16.602 5.154 1.00 0.00 C ATOM 0 H VAL A 118 6.993 -15.334 5.707 1.00 0.00 H new ATOM 0 HA VAL A 118 8.374 -13.534 4.061 1.00 0.00 H new ATOM 0 HB VAL A 118 10.319 -14.639 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.128 -14.933 7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.279 -13.484 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 118 8.357 -14.947 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 118 10.408 -16.869 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 118 8.660 -17.049 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 118 9.780 -16.974 4.149 1.00 0.00 H new ATOM 214 N ASN A 119 7.423 -16.059 2.396 1.00 0.00 N ATOM 215 CA ASN A 119 7.255 -16.583 1.034 1.00 0.00 C ATOM 216 C ASN A 119 6.674 -15.552 0.037 1.00 0.00 C ATOM 217 O ASN A 119 6.827 -15.707 -1.176 1.00 0.00 O ATOM 218 CB ASN A 119 6.334 -17.815 1.111 1.00 0.00 C ATOM 219 CG ASN A 119 6.908 -18.931 1.969 1.00 0.00 C ATOM 220 OD1 ASN A 119 7.803 -19.660 1.567 1.00 0.00 O ATOM 221 ND2 ASN A 119 6.391 -19.119 3.162 1.00 0.00 N ATOM 0 H ASN A 119 6.722 -16.417 3.044 1.00 0.00 H new ATOM 0 HA ASN A 119 8.243 -16.839 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.367 -17.515 1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.156 -18.193 0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 119 6.736 -19.874 3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 119 5.644 -18.510 3.496 1.00 0.00 H new ATOM 228 N THR A 120 5.990 -14.516 0.535 1.00 0.00 N ATOM 229 CA THR A 120 5.330 -13.464 -0.263 1.00 0.00 C ATOM 230 C THR A 120 6.331 -12.524 -0.930 1.00 0.00 C ATOM 231 O THR A 120 7.357 -12.189 -0.336 1.00 0.00 O ATOM 232 CB THR A 120 4.368 -12.650 0.625 1.00 0.00 C ATOM 233 OG1 THR A 120 3.419 -13.518 1.208 1.00 0.00 O ATOM 234 CG2 THR A 120 3.593 -11.561 -0.109 1.00 0.00 C ATOM 0 H THR A 120 5.874 -14.378 1.539 1.00 0.00 H new ATOM 0 HA THR A 120 4.773 -13.966 -1.054 1.00 0.00 H new ATOM 0 HB THR A 120 5.004 -12.160 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.808 -13.002 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.942 -11.041 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.293 -10.851 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.989 -12.012 -0.897 1.00 0.00 H new ATOM 242 N THR A 121 6.005 -12.045 -2.133 1.00 0.00 N ATOM 243 CA THR A 121 6.724 -10.969 -2.834 1.00 0.00 C ATOM 244 C THR A 121 5.873 -9.728 -3.115 1.00 0.00 C ATOM 245 O THR A 121 4.643 -9.788 -3.118 1.00 0.00 O ATOM 246 CB THR A 121 7.491 -11.496 -4.056 1.00 0.00 C ATOM 247 OG1 THR A 121 8.480 -10.556 -4.413 1.00 0.00 O ATOM 248 CG2 THR A 121 6.607 -11.727 -5.280 1.00 0.00 C ATOM 0 H THR A 121 5.211 -12.403 -2.665 1.00 0.00 H new ATOM 0 HA THR A 121 7.479 -10.604 -2.138 1.00 0.00 H new ATOM 0 HB THR A 121 7.913 -12.458 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.977 -10.884 -5.192 1.00 0.00 H new ATOM 0 HG21 THR A 121 7.216 -12.099 -6.104 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.836 -12.459 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 121 6.137 -10.788 -5.572 1.00 0.00 H new ATOM 256 N VAL A 122 6.525 -8.586 -3.347 1.00 0.00 N ATOM 257 CA VAL A 122 5.894 -7.263 -3.509 1.00 0.00 C ATOM 258 C VAL A 122 4.805 -7.196 -4.587 1.00 0.00 C ATOM 259 O VAL A 122 3.791 -6.518 -4.411 1.00 0.00 O ATOM 260 CB VAL A 122 6.994 -6.202 -3.710 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.640 -6.230 -5.101 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.459 -4.796 -3.457 1.00 0.00 C ATOM 0 H VAL A 122 7.541 -8.550 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 122 5.346 -7.053 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 122 7.762 -6.459 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.403 -5.454 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.098 -7.204 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.878 -6.051 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.258 -4.070 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.644 -4.587 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.092 -4.725 -2.433 1.00 0.00 H new ATOM 272 N GLU A 123 4.971 -7.944 -5.678 1.00 0.00 N ATOM 273 CA GLU A 123 3.992 -8.016 -6.769 1.00 0.00 C ATOM 274 C GLU A 123 2.707 -8.768 -6.374 1.00 0.00 C ATOM 275 O GLU A 123 1.633 -8.432 -6.876 1.00 0.00 O ATOM 276 CB GLU A 123 4.627 -8.671 -8.008 1.00 0.00 C ATOM 277 CG GLU A 123 5.800 -7.850 -8.571 1.00 0.00 C ATOM 278 CD GLU A 123 6.349 -8.385 -9.913 1.00 0.00 C ATOM 279 OE1 GLU A 123 7.209 -7.700 -10.519 1.00 0.00 O ATOM 280 OE2 GLU A 123 5.948 -9.480 -10.379 1.00 0.00 O ATOM 0 H GLU A 123 5.796 -8.523 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 123 3.701 -6.991 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.978 -9.669 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.868 -8.792 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.477 -6.818 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.607 -7.837 -7.838 1.00 0.00 H new ATOM 287 N ASP A 124 2.784 -9.728 -5.440 1.00 0.00 N ATOM 288 CA ASP A 124 1.596 -10.372 -4.860 1.00 0.00 C ATOM 289 C ASP A 124 0.817 -9.303 -4.082 1.00 0.00 C ATOM 290 O ASP A 124 -0.374 -9.107 -4.312 1.00 0.00 O ATOM 291 CB ASP A 124 1.953 -11.499 -3.867 1.00 0.00 C ATOM 292 CG ASP A 124 2.933 -12.577 -4.347 1.00 0.00 C ATOM 293 OD1 ASP A 124 3.033 -12.841 -5.568 1.00 0.00 O ATOM 294 OD2 ASP A 124 3.571 -13.200 -3.463 1.00 0.00 O ATOM 0 H ASP A 124 3.667 -10.078 -5.067 1.00 0.00 H new ATOM 0 HA ASP A 124 1.022 -10.809 -5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.370 -11.039 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.028 -11.993 -3.571 1.00 0.00 H new ATOM 299 N VAL A 125 1.501 -8.577 -3.189 1.00 0.00 N ATOM 300 CA VAL A 125 0.897 -7.560 -2.316 1.00 0.00 C ATOM 301 C VAL A 125 0.212 -6.460 -3.128 1.00 0.00 C ATOM 302 O VAL A 125 -0.942 -6.131 -2.852 1.00 0.00 O ATOM 303 CB VAL A 125 1.932 -6.996 -1.318 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.300 -6.040 -0.304 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.599 -8.134 -0.535 1.00 0.00 C ATOM 0 H VAL A 125 2.506 -8.681 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 125 0.118 -8.043 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 125 2.665 -6.451 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.068 -5.671 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.846 -5.200 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.535 -6.568 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.325 -7.718 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.841 -8.689 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.106 -8.805 -1.229 1.00 0.00 H new ATOM 315 N LYS A 126 0.861 -5.956 -4.188 1.00 0.00 N ATOM 316 CA LYS A 126 0.253 -4.983 -5.110 1.00 0.00 C ATOM 317 C LYS A 126 -1.019 -5.536 -5.772 1.00 0.00 C ATOM 318 O LYS A 126 -2.059 -4.877 -5.735 1.00 0.00 O ATOM 319 CB LYS A 126 1.310 -4.508 -6.126 1.00 0.00 C ATOM 320 CG LYS A 126 0.770 -3.371 -7.010 1.00 0.00 C ATOM 321 CD LYS A 126 1.883 -2.627 -7.765 1.00 0.00 C ATOM 322 CE LYS A 126 1.399 -1.270 -8.301 1.00 0.00 C ATOM 323 NZ LYS A 126 0.428 -1.388 -9.418 1.00 0.00 N ATOM 0 H LYS A 126 1.819 -6.210 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.078 -4.113 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.199 -4.167 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.615 -5.345 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.060 -3.781 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.222 -2.663 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.733 -2.473 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.234 -3.242 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.939 -0.710 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.260 -0.693 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.164 -0.534 -9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.943 -1.491 -10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.175 -2.221 -9.267 1.00 0.00 H new ATOM 337 N HIS A 127 -0.976 -6.759 -6.306 1.00 0.00 N ATOM 338 CA HIS A 127 -2.131 -7.416 -6.934 1.00 0.00 C ATOM 339 C HIS A 127 -3.299 -7.666 -5.963 1.00 0.00 C ATOM 340 O HIS A 127 -4.452 -7.415 -6.318 1.00 0.00 O ATOM 341 CB HIS A 127 -1.668 -8.724 -7.590 1.00 0.00 C ATOM 342 CG HIS A 127 -2.742 -9.362 -8.434 1.00 0.00 C ATOM 343 ND1 HIS A 127 -3.487 -10.497 -8.099 1.00 0.00 N ATOM 344 CD2 HIS A 127 -3.233 -8.836 -9.592 1.00 0.00 C ATOM 345 CE1 HIS A 127 -4.394 -10.643 -9.082 1.00 0.00 C ATOM 346 NE2 HIS A 127 -4.261 -9.662 -9.993 1.00 0.00 N ATOM 0 H HIS A 127 -0.130 -7.329 -6.316 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.525 -6.736 -7.689 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.794 -8.525 -8.210 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.356 -9.424 -6.815 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -2.885 -7.947 -10.096 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -5.126 -11.436 -9.133 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -4.824 -9.549 -10.836 1.00 0.00 H new ATOM 354 N TYR A 128 -3.022 -8.072 -4.718 1.00 0.00 N ATOM 355 CA TYR A 128 -4.026 -8.193 -3.663 1.00 0.00 C ATOM 356 C TYR A 128 -4.812 -6.925 -3.295 1.00 0.00 C ATOM 357 O TYR A 128 -5.989 -7.019 -2.935 1.00 0.00 O ATOM 358 CB TYR A 128 -3.459 -8.927 -2.438 1.00 0.00 C ATOM 359 CG TYR A 128 -3.424 -10.445 -2.546 1.00 0.00 C ATOM 360 CD1 TYR A 128 -4.624 -11.184 -2.511 1.00 0.00 C ATOM 361 CD2 TYR A 128 -2.196 -11.126 -2.637 1.00 0.00 C ATOM 362 CE1 TYR A 128 -4.593 -12.592 -2.587 1.00 0.00 C ATOM 363 CE2 TYR A 128 -2.157 -12.529 -2.732 1.00 0.00 C ATOM 364 CZ TYR A 128 -3.359 -13.268 -2.709 1.00 0.00 C ATOM 365 OH TYR A 128 -3.328 -14.627 -2.768 1.00 0.00 O ATOM 0 H TYR A 128 -2.082 -8.328 -4.415 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.805 -8.808 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.445 -8.569 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -4.053 -8.655 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -5.570 -10.670 -2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -1.273 -10.565 -2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -5.514 -13.154 -2.552 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -1.209 -13.039 -2.822 1.00 0.00 H new ATOM 0 HH TYR A 128 -2.400 -14.930 -2.852 1.00 0.00 H new ATOM 375 N PHE A 129 -4.201 -5.744 -3.437 1.00 0.00 N ATOM 376 CA PHE A 129 -4.871 -4.453 -3.229 1.00 0.00 C ATOM 377 C PHE A 129 -5.579 -3.831 -4.439 1.00 0.00 C ATOM 378 O PHE A 129 -6.561 -3.106 -4.275 1.00 0.00 O ATOM 379 CB PHE A 129 -3.969 -3.481 -2.463 1.00 0.00 C ATOM 380 CG PHE A 129 -3.748 -3.915 -1.028 1.00 0.00 C ATOM 381 CD1 PHE A 129 -4.817 -3.970 -0.111 1.00 0.00 C ATOM 382 CD2 PHE A 129 -2.479 -4.382 -0.645 1.00 0.00 C ATOM 383 CE1 PHE A 129 -4.622 -4.536 1.163 1.00 0.00 C ATOM 384 CE2 PHE A 129 -2.285 -4.947 0.623 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.359 -5.041 1.519 1.00 0.00 C ATOM 0 H PHE A 129 -3.220 -5.655 -3.702 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.727 -4.690 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -3.007 -3.405 -2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.416 -2.487 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -5.785 -3.578 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -1.649 -4.305 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.441 -4.582 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.309 -5.310 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.216 -5.502 2.485 1.00 0.00 H new ATOM 395 N GLU A 130 -5.157 -4.193 -5.656 1.00 0.00 N ATOM 396 CA GLU A 130 -5.806 -3.797 -6.921 1.00 0.00 C ATOM 397 C GLU A 130 -7.264 -4.281 -7.065 1.00 0.00 C ATOM 398 O GLU A 130 -8.016 -3.772 -7.898 1.00 0.00 O ATOM 399 CB GLU A 130 -4.951 -4.246 -8.119 1.00 0.00 C ATOM 400 CG GLU A 130 -3.723 -3.338 -8.289 1.00 0.00 C ATOM 401 CD GLU A 130 -2.714 -3.818 -9.349 1.00 0.00 C ATOM 402 OE1 GLU A 130 -2.871 -4.916 -9.937 1.00 0.00 O ATOM 403 OE2 GLU A 130 -1.737 -3.070 -9.593 1.00 0.00 O ATOM 0 H GLU A 130 -4.337 -4.783 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.869 -2.709 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.628 -5.277 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.552 -4.225 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.062 -2.337 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.212 -3.257 -7.330 1.00 0.00 H new ATOM 410 N GLN A 131 -7.687 -5.220 -6.211 1.00 0.00 N ATOM 411 CA GLN A 131 -9.079 -5.657 -6.042 1.00 0.00 C ATOM 412 C GLN A 131 -10.011 -4.507 -5.629 1.00 0.00 C ATOM 413 O GLN A 131 -11.129 -4.379 -6.135 1.00 0.00 O ATOM 414 CB GLN A 131 -9.117 -6.738 -4.947 1.00 0.00 C ATOM 415 CG GLN A 131 -8.239 -7.938 -5.308 1.00 0.00 C ATOM 416 CD GLN A 131 -8.481 -9.127 -4.382 1.00 0.00 C ATOM 417 OE1 GLN A 131 -9.241 -10.042 -4.676 1.00 0.00 O ATOM 418 NE2 GLN A 131 -7.998 -9.068 -3.160 1.00 0.00 N ATOM 0 H GLN A 131 -7.044 -5.716 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.430 -6.038 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -8.780 -6.311 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -10.145 -7.070 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.438 -8.235 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.190 -7.647 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.364 -8.313 -2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.257 -9.777 -2.474 1.00 0.00 H new ATOM 427 N PHE A 132 -9.535 -3.674 -4.702 1.00 0.00 N ATOM 428 CA PHE A 132 -10.284 -2.549 -4.120 1.00 0.00 C ATOM 429 C PHE A 132 -10.327 -1.272 -4.973 1.00 0.00 C ATOM 430 O PHE A 132 -11.316 -0.537 -4.957 1.00 0.00 O ATOM 431 CB PHE A 132 -9.748 -2.251 -2.713 1.00 0.00 C ATOM 432 CG PHE A 132 -9.947 -3.412 -1.763 1.00 0.00 C ATOM 433 CD1 PHE A 132 -8.842 -4.203 -1.397 1.00 0.00 C ATOM 434 CD2 PHE A 132 -11.234 -3.751 -1.305 1.00 0.00 C ATOM 435 CE1 PHE A 132 -9.020 -5.323 -0.571 1.00 0.00 C ATOM 436 CE2 PHE A 132 -11.413 -4.884 -0.493 1.00 0.00 C ATOM 437 CZ PHE A 132 -10.306 -5.669 -0.121 1.00 0.00 C ATOM 0 H PHE A 132 -8.592 -3.762 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.323 -2.875 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.686 -2.013 -2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.250 -1.369 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.855 -3.947 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -12.083 -3.141 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -8.168 -5.920 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -12.402 -5.153 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.444 -6.535 0.509 1.00 0.00 H new ATOM 447 N GLY A 133 -9.250 -1.019 -5.717 1.00 0.00 N ATOM 448 CA GLY A 133 -9.047 0.143 -6.585 1.00 0.00 C ATOM 449 C GLY A 133 -7.589 0.239 -7.044 1.00 0.00 C ATOM 450 O GLY A 133 -6.744 -0.535 -6.591 1.00 0.00 O ATOM 0 H GLY A 133 -8.452 -1.654 -5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.701 0.071 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.324 1.052 -6.052 1.00 0.00 H new ATOM 454 N LYS A 134 -7.275 1.164 -7.959 1.00 0.00 N ATOM 455 CA LYS A 134 -5.943 1.247 -8.585 1.00 0.00 C ATOM 456 C LYS A 134 -4.831 1.533 -7.561 1.00 0.00 C ATOM 457 O LYS A 134 -4.875 2.520 -6.823 1.00 0.00 O ATOM 458 CB LYS A 134 -5.969 2.253 -9.750 1.00 0.00 C ATOM 459 CG LYS A 134 -4.610 2.366 -10.462 1.00 0.00 C ATOM 460 CD LYS A 134 -4.725 3.213 -11.739 1.00 0.00 C ATOM 461 CE LYS A 134 -3.363 3.501 -12.392 1.00 0.00 C ATOM 462 NZ LYS A 134 -2.705 2.272 -12.913 1.00 0.00 N ATOM 0 H LYS A 134 -7.930 1.874 -8.287 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.696 0.270 -9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.729 1.950 -10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.260 3.233 -9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.879 2.814 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -4.243 1.371 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -5.363 2.696 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -5.214 4.157 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -3.499 4.210 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.708 3.977 -11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -1.792 2.523 -13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.549 1.604 -12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -3.315 1.829 -13.630 1.00 0.00 H new ATOM 476 N VAL A 135 -3.818 0.667 -7.556 1.00 0.00 N ATOM 477 CA VAL A 135 -2.598 0.783 -6.741 1.00 0.00 C ATOM 478 C VAL A 135 -1.466 1.392 -7.572 1.00 0.00 C ATOM 479 O VAL A 135 -1.166 0.921 -8.670 1.00 0.00 O ATOM 480 CB VAL A 135 -2.195 -0.575 -6.129 1.00 0.00 C ATOM 481 CG1 VAL A 135 -1.009 -0.459 -5.171 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.343 -1.203 -5.330 1.00 0.00 C ATOM 0 H VAL A 135 -3.820 -0.169 -8.141 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.803 1.452 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.928 -1.197 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.768 -1.443 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.146 -0.064 -5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -1.267 0.213 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -3.018 -2.158 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.630 -0.534 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -4.198 -1.364 -5.987 1.00 0.00 H new ATOM 492 N ASP A 136 -0.833 2.437 -7.046 1.00 0.00 N ATOM 493 CA ASP A 136 0.298 3.131 -7.664 1.00 0.00 C ATOM 494 C ASP A 136 1.614 2.339 -7.564 1.00 0.00 C ATOM 495 O ASP A 136 2.293 2.110 -8.567 1.00 0.00 O ATOM 496 CB ASP A 136 0.432 4.526 -7.027 1.00 0.00 C ATOM 497 CG ASP A 136 1.657 5.318 -7.521 1.00 0.00 C ATOM 498 OD1 ASP A 136 2.321 5.978 -6.687 1.00 0.00 O ATOM 499 OD2 ASP A 136 1.930 5.327 -8.745 1.00 0.00 O ATOM 0 H ASP A 136 -1.101 2.839 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 136 0.097 3.229 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.470 5.100 -7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.494 4.417 -5.944 1.00 0.00 H new ATOM 504 N ASP A 137 1.960 1.885 -6.355 1.00 0.00 N ATOM 505 CA ASP A 137 3.260 1.269 -6.044 1.00 0.00 C ATOM 506 C ASP A 137 3.169 0.443 -4.739 1.00 0.00 C ATOM 507 O ASP A 137 2.242 0.606 -3.943 1.00 0.00 O ATOM 508 CB ASP A 137 4.295 2.401 -5.874 1.00 0.00 C ATOM 509 CG ASP A 137 5.757 1.919 -5.875 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.036 0.792 -6.349 1.00 0.00 O ATOM 511 OD2 ASP A 137 6.638 2.689 -5.422 1.00 0.00 O ATOM 0 H ASP A 137 1.336 1.935 -5.550 1.00 0.00 H new ATOM 0 HA ASP A 137 3.555 0.598 -6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.161 3.125 -6.678 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.096 2.923 -4.938 1.00 0.00 H new ATOM 516 N ALA A 138 4.156 -0.425 -4.502 1.00 0.00 N ATOM 517 CA ALA A 138 4.334 -1.196 -3.270 1.00 0.00 C ATOM 518 C ALA A 138 5.829 -1.459 -2.981 1.00 0.00 C ATOM 519 O ALA A 138 6.651 -1.495 -3.900 1.00 0.00 O ATOM 520 CB ALA A 138 3.531 -2.502 -3.375 1.00 0.00 C ATOM 0 H ALA A 138 4.882 -0.617 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 138 3.956 -0.619 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.659 -3.082 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.475 -2.270 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.889 -3.082 -4.226 1.00 0.00 H new ATOM 526 N MET A 139 6.187 -1.666 -1.707 1.00 0.00 N ATOM 527 CA MET A 139 7.554 -1.996 -1.262 1.00 0.00 C ATOM 528 C MET A 139 7.545 -2.824 0.033 1.00 0.00 C ATOM 529 O MET A 139 6.800 -2.505 0.955 1.00 0.00 O ATOM 530 CB MET A 139 8.402 -0.719 -1.098 1.00 0.00 C ATOM 531 CG MET A 139 7.818 0.321 -0.129 1.00 0.00 C ATOM 532 SD MET A 139 8.916 1.729 0.187 1.00 0.00 S ATOM 533 CE MET A 139 7.906 2.618 1.401 1.00 0.00 C ATOM 0 H MET A 139 5.521 -1.608 -0.937 1.00 0.00 H new ATOM 0 HA MET A 139 8.012 -2.611 -2.037 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.396 -1.002 -0.750 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.527 -0.254 -2.076 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.876 0.691 -0.533 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.588 -0.168 0.818 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.426 3.523 1.714 1.00 0.00 H new ATOM 0 HE2 MET A 139 6.950 2.886 0.952 1.00 0.00 H new ATOM 0 HE3 MET A 139 7.733 1.980 2.268 1.00 0.00 H new ATOM 543 N LEU A 140 8.377 -3.869 0.122 1.00 0.00 N ATOM 544 CA LEU A 140 8.545 -4.694 1.332 1.00 0.00 C ATOM 545 C LEU A 140 9.916 -4.462 1.982 1.00 0.00 C ATOM 546 O LEU A 140 10.909 -4.212 1.295 1.00 0.00 O ATOM 547 CB LEU A 140 8.303 -6.190 1.048 1.00 0.00 C ATOM 548 CG LEU A 140 7.030 -6.540 0.254 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.878 -8.058 0.160 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.758 -5.980 0.886 1.00 0.00 C ATOM 0 H LEU A 140 8.963 -4.173 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 140 7.783 -4.376 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 140 9.163 -6.578 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.267 -6.717 2.001 1.00 0.00 H new ATOM 0 HG LEU A 140 7.151 -6.087 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.976 -8.299 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.746 -8.480 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.804 -8.479 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.897 -6.261 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.642 -6.385 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.826 -4.893 0.939 1.00 0.00 H new ATOM 562 N MET A 141 9.978 -4.549 3.311 1.00 0.00 N ATOM 563 CA MET A 141 11.179 -4.265 4.102 1.00 0.00 C ATOM 564 C MET A 141 12.155 -5.452 4.130 1.00 0.00 C ATOM 565 O MET A 141 12.206 -6.223 5.090 1.00 0.00 O ATOM 566 CB MET A 141 10.753 -3.770 5.492 1.00 0.00 C ATOM 567 CG MET A 141 10.399 -2.275 5.487 1.00 0.00 C ATOM 568 SD MET A 141 9.046 -1.688 4.429 1.00 0.00 S ATOM 569 CE MET A 141 9.976 -0.959 3.051 1.00 0.00 C ATOM 0 H MET A 141 9.178 -4.825 3.881 1.00 0.00 H new ATOM 0 HA MET A 141 11.751 -3.468 3.627 1.00 0.00 H new ATOM 0 HB2 MET A 141 9.892 -4.345 5.834 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.559 -3.949 6.203 1.00 0.00 H new ATOM 0 HG2 MET A 141 10.161 -1.991 6.512 1.00 0.00 H new ATOM 0 HG3 MET A 141 11.298 -1.726 5.205 1.00 0.00 H new ATOM 0 HE1 MET A 141 9.283 -0.492 2.351 1.00 0.00 H new ATOM 0 HE2 MET A 141 10.666 -0.207 3.435 1.00 0.00 H new ATOM 0 HE3 MET A 141 10.538 -1.739 2.538 1.00 0.00 H new ATOM 699 N HIS A 149 12.042 -10.438 3.499 1.00 0.00 N ATOM 700 CA HIS A 149 11.470 -9.278 4.200 1.00 0.00 C ATOM 701 C HIS A 149 11.057 -9.586 5.645 1.00 0.00 C ATOM 702 O HIS A 149 10.820 -10.735 6.020 1.00 0.00 O ATOM 703 CB HIS A 149 10.324 -8.663 3.383 1.00 0.00 C ATOM 704 CG HIS A 149 9.175 -9.610 3.169 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.167 -9.891 4.094 1.00 0.00 N ATOM 706 CD2 HIS A 149 8.949 -10.324 2.031 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.366 -10.789 3.494 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.816 -11.067 2.259 1.00 0.00 N ATOM 0 HA HIS A 149 12.262 -8.534 4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 149 9.961 -7.771 3.893 1.00 0.00 H new ATOM 0 HB3 HIS A 149 10.708 -8.343 2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.543 -10.309 1.129 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.485 -11.225 3.942 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.389 -11.719 1.602 1.00 0.00 H new ATOM 716 N ARG A 150 10.962 -8.529 6.459 1.00 0.00 N ATOM 717 CA ARG A 150 10.589 -8.559 7.889 1.00 0.00 C ATOM 718 C ARG A 150 9.133 -8.973 8.194 1.00 0.00 C ATOM 719 O ARG A 150 8.695 -8.867 9.338 1.00 0.00 O ATOM 720 CB ARG A 150 10.929 -7.192 8.517 1.00 0.00 C ATOM 721 CG ARG A 150 12.436 -6.948 8.700 1.00 0.00 C ATOM 722 CD ARG A 150 12.732 -5.563 9.302 1.00 0.00 C ATOM 723 NE ARG A 150 12.099 -5.370 10.623 1.00 0.00 N ATOM 724 CZ ARG A 150 11.929 -4.220 11.255 1.00 0.00 C ATOM 725 NH1 ARG A 150 12.492 -3.109 10.889 1.00 0.00 N ATOM 726 NH2 ARG A 150 11.148 -4.135 12.281 1.00 0.00 N ATOM 0 H ARG A 150 11.151 -7.582 6.129 1.00 0.00 H new ATOM 0 HA ARG A 150 11.177 -9.357 8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 150 10.517 -6.402 7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.438 -7.117 9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 150 12.851 -7.720 9.348 1.00 0.00 H new ATOM 0 HG3 ARG A 150 12.937 -7.038 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 150 13.810 -5.436 9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 150 12.379 -4.791 8.618 1.00 0.00 H new ATOM 0 HE ARG A 150 11.759 -6.208 11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 150 13.104 -3.092 10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 150 12.322 -2.253 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 150 10.652 -4.962 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 150 11.027 -3.241 12.758 1.00 0.00 H new ATOM 740 N GLY A 151 8.370 -9.424 7.197 1.00 0.00 N ATOM 741 CA GLY A 151 6.949 -9.766 7.325 1.00 0.00 C ATOM 742 C GLY A 151 6.001 -8.567 7.209 1.00 0.00 C ATOM 743 O GLY A 151 4.847 -8.659 7.629 1.00 0.00 O ATOM 0 H GLY A 151 8.731 -9.566 6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.691 -10.494 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.789 -10.250 8.289 1.00 0.00 H new ATOM 747 N PHE A 152 6.459 -7.436 6.660 1.00 0.00 N ATOM 748 CA PHE A 152 5.617 -6.259 6.425 1.00 0.00 C ATOM 749 C PHE A 152 6.160 -5.409 5.262 1.00 0.00 C ATOM 750 O PHE A 152 7.299 -5.569 4.808 1.00 0.00 O ATOM 751 CB PHE A 152 5.546 -5.396 7.697 1.00 0.00 C ATOM 752 CG PHE A 152 6.816 -4.659 8.069 1.00 0.00 C ATOM 753 CD1 PHE A 152 6.995 -3.322 7.661 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.795 -5.280 8.860 1.00 0.00 C ATOM 755 CE1 PHE A 152 8.130 -2.605 8.070 1.00 0.00 C ATOM 756 CE2 PHE A 152 8.926 -4.559 9.269 1.00 0.00 C ATOM 757 CZ PHE A 152 9.102 -3.228 8.871 1.00 0.00 C ATOM 0 H PHE A 152 7.428 -7.312 6.365 1.00 0.00 H new ATOM 0 HA PHE A 152 4.619 -6.610 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.748 -4.664 7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.263 -6.037 8.532 1.00 0.00 H new ATOM 0 HD1 PHE A 152 6.256 -2.848 7.032 1.00 0.00 H new ATOM 0 HD2 PHE A 152 7.677 -6.313 9.154 1.00 0.00 H new ATOM 0 HE1 PHE A 152 8.256 -1.575 7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 152 9.667 -5.034 9.895 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.982 -2.682 9.179 1.00 0.00 H new ATOM 767 N GLY A 153 5.332 -4.468 4.806 1.00 0.00 N ATOM 768 CA GLY A 153 5.719 -3.426 3.862 1.00 0.00 C ATOM 769 C GLY A 153 4.693 -2.298 3.748 1.00 0.00 C ATOM 770 O GLY A 153 3.792 -2.169 4.580 1.00 0.00 O ATOM 0 H GLY A 153 4.354 -4.410 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.677 -3.006 4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.867 -3.873 2.879 1.00 0.00 H new ATOM 774 N PHE A 154 4.828 -1.496 2.694 1.00 0.00 N ATOM 775 CA PHE A 154 3.951 -0.378 2.343 1.00 0.00 C ATOM 776 C PHE A 154 3.287 -0.487 0.968 1.00 0.00 C ATOM 777 O PHE A 154 3.868 -1.056 0.039 1.00 0.00 O ATOM 778 CB PHE A 154 4.686 0.956 2.502 1.00 0.00 C ATOM 779 CG PHE A 154 5.035 1.304 3.932 1.00 0.00 C ATOM 780 CD1 PHE A 154 6.223 0.800 4.487 1.00 0.00 C ATOM 781 CD2 PHE A 154 4.175 2.095 4.718 1.00 0.00 C ATOM 782 CE1 PHE A 154 6.549 1.075 5.821 1.00 0.00 C ATOM 783 CE2 PHE A 154 4.519 2.398 6.047 1.00 0.00 C ATOM 784 CZ PHE A 154 5.709 1.890 6.597 1.00 0.00 C ATOM 0 H PHE A 154 5.591 -1.613 2.027 1.00 0.00 H new ATOM 0 HA PHE A 154 3.125 -0.424 3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.603 0.926 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.067 1.751 2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 154 6.887 0.199 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 154 3.252 2.469 4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.447 0.660 6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 154 3.870 3.020 6.645 1.00 0.00 H new ATOM 0 HZ PHE A 154 5.977 2.127 7.616 1.00 0.00 H new ATOM 794 N VAL A 155 2.095 0.098 0.825 1.00 0.00 N ATOM 795 CA VAL A 155 1.308 0.123 -0.421 1.00 0.00 C ATOM 796 C VAL A 155 0.701 1.506 -0.663 1.00 0.00 C ATOM 797 O VAL A 155 0.038 2.052 0.221 1.00 0.00 O ATOM 798 CB VAL A 155 0.227 -0.980 -0.438 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.453 -1.078 -1.805 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.783 -2.367 -0.087 1.00 0.00 C ATOM 0 H VAL A 155 1.633 0.583 1.594 1.00 0.00 H new ATOM 0 HA VAL A 155 1.992 -0.087 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.493 -0.684 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.208 -1.864 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.928 -0.126 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.291 -1.313 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.023 -3.100 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.551 -2.644 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 155 1.216 -2.343 0.913 1.00 0.00 H new ATOM 810 N THR A 156 0.924 2.064 -1.855 1.00 0.00 N ATOM 811 CA THR A 156 0.471 3.396 -2.297 1.00 0.00 C ATOM 812 C THR A 156 -0.644 3.375 -3.338 1.00 0.00 C ATOM 813 O THR A 156 -0.580 2.601 -4.288 1.00 0.00 O ATOM 814 CB THR A 156 1.624 4.325 -2.725 1.00 0.00 C ATOM 815 OG1 THR A 156 2.800 4.077 -1.979 1.00 0.00 O ATOM 816 CG2 THR A 156 1.278 5.806 -2.569 1.00 0.00 C ATOM 0 H THR A 156 1.452 1.578 -2.580 1.00 0.00 H new ATOM 0 HA THR A 156 0.029 3.824 -1.397 1.00 0.00 H new ATOM 0 HB THR A 156 1.790 4.103 -3.779 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.511 4.682 -2.278 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.126 6.413 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.411 6.044 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.049 6.018 -1.525 1.00 0.00 H new ATOM 824 N PHE A 157 -1.660 4.224 -3.190 1.00 0.00 N ATOM 825 CA PHE A 157 -2.909 4.213 -3.947 1.00 0.00 C ATOM 826 C PHE A 157 -3.095 5.368 -4.936 1.00 0.00 C ATOM 827 O PHE A 157 -2.490 6.429 -4.791 1.00 0.00 O ATOM 828 CB PHE A 157 -4.088 4.053 -2.974 1.00 0.00 C ATOM 829 CG PHE A 157 -4.185 2.673 -2.347 1.00 0.00 C ATOM 830 CD1 PHE A 157 -5.147 1.751 -2.796 1.00 0.00 C ATOM 831 CD2 PHE A 157 -3.304 2.301 -1.313 1.00 0.00 C ATOM 832 CE1 PHE A 157 -5.234 0.472 -2.216 1.00 0.00 C ATOM 833 CE2 PHE A 157 -3.377 1.017 -0.751 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.347 0.104 -1.192 1.00 0.00 C ATOM 0 H PHE A 157 -1.632 4.977 -2.503 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.865 3.350 -4.611 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.996 4.796 -2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -5.016 4.266 -3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -5.824 2.026 -3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -2.570 3.006 -0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -5.983 -0.227 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -2.683 0.730 0.025 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.411 -0.877 -0.746 1.00 0.00 H new ATOM 844 N GLU A 158 -3.963 5.185 -5.931 1.00 0.00 N ATOM 845 CA GLU A 158 -4.363 6.252 -6.861 1.00 0.00 C ATOM 846 C GLU A 158 -5.286 7.302 -6.205 1.00 0.00 C ATOM 847 O GLU A 158 -5.234 8.479 -6.570 1.00 0.00 O ATOM 848 CB GLU A 158 -4.990 5.609 -8.111 1.00 0.00 C ATOM 849 CG GLU A 158 -5.389 6.609 -9.214 1.00 0.00 C ATOM 850 CD GLU A 158 -6.814 7.200 -9.102 1.00 0.00 C ATOM 851 OE1 GLU A 158 -7.109 8.175 -9.836 1.00 0.00 O ATOM 852 OE2 GLU A 158 -7.659 6.687 -8.331 1.00 0.00 O ATOM 0 H GLU A 158 -4.413 4.289 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.476 6.812 -7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.283 4.891 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.875 5.048 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -4.673 7.431 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -5.297 6.112 -10.180 1.00 0.00 H new ATOM 859 N SER A 159 -6.069 6.913 -5.191 1.00 0.00 N ATOM 860 CA SER A 159 -7.014 7.779 -4.470 1.00 0.00 C ATOM 861 C SER A 159 -7.053 7.480 -2.969 1.00 0.00 C ATOM 862 O SER A 159 -6.960 6.323 -2.548 1.00 0.00 O ATOM 863 CB SER A 159 -8.413 7.645 -5.086 1.00 0.00 C ATOM 864 OG SER A 159 -9.369 8.398 -4.357 1.00 0.00 O ATOM 0 H SER A 159 -6.063 5.956 -4.837 1.00 0.00 H new ATOM 0 HA SER A 159 -6.667 8.807 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.391 7.985 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.708 6.596 -5.101 1.00 0.00 H new ATOM 0 HG SER A 159 -10.251 8.296 -4.772 1.00 0.00 H new ATOM 870 N GLU A 160 -7.236 8.523 -2.154 1.00 0.00 N ATOM 871 CA GLU A 160 -7.451 8.412 -0.707 1.00 0.00 C ATOM 872 C GLU A 160 -8.717 7.601 -0.381 1.00 0.00 C ATOM 873 O GLU A 160 -8.770 6.892 0.622 1.00 0.00 O ATOM 874 CB GLU A 160 -7.627 9.803 -0.069 1.00 0.00 C ATOM 875 CG GLU A 160 -6.481 10.801 -0.284 1.00 0.00 C ATOM 876 CD GLU A 160 -6.544 11.622 -1.590 1.00 0.00 C ATOM 877 OE1 GLU A 160 -7.337 11.305 -2.508 1.00 0.00 O ATOM 878 OE2 GLU A 160 -5.758 12.590 -1.711 1.00 0.00 O ATOM 0 H GLU A 160 -7.239 9.487 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.571 7.909 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -8.543 10.245 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -7.769 9.672 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -6.464 11.493 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -5.539 10.253 -0.266 1.00 0.00 H new ATOM 885 N ASP A 161 -9.733 7.668 -1.244 1.00 0.00 N ATOM 886 CA ASP A 161 -10.987 6.920 -1.080 1.00 0.00 C ATOM 887 C ASP A 161 -10.838 5.392 -1.053 1.00 0.00 C ATOM 888 O ASP A 161 -11.577 4.706 -0.340 1.00 0.00 O ATOM 889 CB ASP A 161 -12.046 7.364 -2.104 1.00 0.00 C ATOM 890 CG ASP A 161 -12.678 8.748 -1.843 1.00 0.00 C ATOM 891 OD1 ASP A 161 -12.447 9.370 -0.779 1.00 0.00 O ATOM 892 OD2 ASP A 161 -13.453 9.211 -2.716 1.00 0.00 O ATOM 0 H ASP A 161 -9.711 8.247 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.332 7.180 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.589 7.373 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.841 6.618 -2.126 1.00 0.00 H new ATOM 897 N ILE A 162 -9.846 4.851 -1.774 1.00 0.00 N ATOM 898 CA ILE A 162 -9.496 3.428 -1.677 1.00 0.00 C ATOM 899 C ILE A 162 -8.793 3.149 -0.351 1.00 0.00 C ATOM 900 O ILE A 162 -9.122 2.170 0.310 1.00 0.00 O ATOM 901 CB ILE A 162 -8.617 2.936 -2.844 1.00 0.00 C ATOM 902 CG1 ILE A 162 -9.023 3.450 -4.232 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.592 1.399 -2.867 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.491 3.223 -4.625 1.00 0.00 C ATOM 0 H ILE A 162 -9.272 5.379 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.434 2.875 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.629 3.353 -2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.815 4.519 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.388 2.970 -4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.969 1.058 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -8.183 1.028 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.606 1.021 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.667 3.625 -5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.708 2.155 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.141 3.728 -3.911 1.00 0.00 H new ATOM 916 N VAL A 163 -7.876 4.019 0.089 1.00 0.00 N ATOM 917 CA VAL A 163 -7.181 3.846 1.377 1.00 0.00 C ATOM 918 C VAL A 163 -8.194 3.779 2.520 1.00 0.00 C ATOM 919 O VAL A 163 -8.087 2.899 3.370 1.00 0.00 O ATOM 920 CB VAL A 163 -6.176 4.983 1.641 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.543 4.914 3.037 1.00 0.00 C ATOM 922 CG2 VAL A 163 -5.070 4.929 0.593 1.00 0.00 C ATOM 0 H VAL A 163 -7.595 4.853 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.625 2.910 1.325 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.731 5.919 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.845 5.742 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.324 4.981 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -5.010 3.970 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.356 5.732 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.559 3.968 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.504 5.048 -0.400 1.00 0.00 H new ATOM 932 N GLU A 164 -9.212 4.643 2.517 1.00 0.00 N ATOM 933 CA GLU A 164 -10.317 4.579 3.485 1.00 0.00 C ATOM 934 C GLU A 164 -11.084 3.244 3.416 1.00 0.00 C ATOM 935 O GLU A 164 -11.282 2.605 4.450 1.00 0.00 O ATOM 936 CB GLU A 164 -11.291 5.760 3.294 1.00 0.00 C ATOM 937 CG GLU A 164 -10.703 7.160 3.555 1.00 0.00 C ATOM 938 CD GLU A 164 -10.246 7.429 5.004 1.00 0.00 C ATOM 939 OE1 GLU A 164 -9.640 8.497 5.257 1.00 0.00 O ATOM 940 OE2 GLU A 164 -10.458 6.592 5.913 1.00 0.00 O ATOM 0 H GLU A 164 -9.296 5.407 1.846 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.865 4.647 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.673 5.731 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -12.144 5.615 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.851 7.307 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.451 7.905 3.284 1.00 0.00 H new ATOM 947 N LYS A 165 -11.454 2.772 2.215 1.00 0.00 N ATOM 948 CA LYS A 165 -12.150 1.485 2.007 1.00 0.00 C ATOM 949 C LYS A 165 -11.347 0.290 2.543 1.00 0.00 C ATOM 950 O LYS A 165 -11.859 -0.515 3.321 1.00 0.00 O ATOM 951 CB LYS A 165 -12.463 1.332 0.508 1.00 0.00 C ATOM 952 CG LYS A 165 -13.276 0.065 0.190 1.00 0.00 C ATOM 953 CD LYS A 165 -13.487 -0.128 -1.320 1.00 0.00 C ATOM 954 CE LYS A 165 -14.253 1.002 -2.028 1.00 0.00 C ATOM 955 NZ LYS A 165 -15.660 1.121 -1.558 1.00 0.00 N ATOM 0 H LYS A 165 -11.277 3.278 1.347 1.00 0.00 H new ATOM 0 HA LYS A 165 -13.079 1.493 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -13.016 2.207 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.528 1.307 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.762 -0.806 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.245 0.124 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -12.512 -0.236 -1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -14.024 -1.063 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -13.736 1.947 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -14.247 0.822 -3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -16.131 1.896 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -16.164 0.230 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -15.669 1.320 -0.537 1.00 0.00 H new ATOM 969 N VAL A 166 -10.078 0.198 2.147 1.00 0.00 N ATOM 970 CA VAL A 166 -9.130 -0.862 2.536 1.00 0.00 C ATOM 971 C VAL A 166 -8.854 -0.820 4.048 1.00 0.00 C ATOM 972 O VAL A 166 -8.861 -1.855 4.713 1.00 0.00 O ATOM 973 CB VAL A 166 -7.824 -0.709 1.728 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.780 -1.775 2.073 1.00 0.00 C ATOM 975 CG2 VAL A 166 -8.055 -0.799 0.212 1.00 0.00 C ATOM 0 H VAL A 166 -9.659 0.885 1.520 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.570 -1.834 2.311 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.459 0.280 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.884 -1.615 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.525 -1.706 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.186 -2.764 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -7.104 -0.685 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.489 -1.768 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.736 -0.007 -0.100 1.00 0.00 H new ATOM 985 N CYS A 167 -8.658 0.372 4.615 1.00 0.00 N ATOM 986 CA CYS A 167 -8.393 0.553 6.047 1.00 0.00 C ATOM 987 C CYS A 167 -9.621 0.260 6.936 1.00 0.00 C ATOM 988 O CYS A 167 -9.470 -0.327 8.006 1.00 0.00 O ATOM 989 CB CYS A 167 -7.839 1.970 6.262 1.00 0.00 C ATOM 990 SG CYS A 167 -7.406 2.249 8.005 1.00 0.00 S ATOM 0 H CYS A 167 -8.679 1.247 4.091 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.651 -0.181 6.361 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -6.958 2.117 5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -8.580 2.705 5.946 1.00 0.00 H new ATOM 0 HG CYS A 167 -8.035 1.390 8.751 1.00 0.00 H new ATOM 996 N GLU A 168 -10.844 0.580 6.493 1.00 0.00 N ATOM 997 CA GLU A 168 -12.080 0.218 7.213 1.00 0.00 C ATOM 998 C GLU A 168 -12.321 -1.301 7.309 1.00 0.00 C ATOM 999 O GLU A 168 -12.947 -1.764 8.265 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.297 0.915 6.583 1.00 0.00 C ATOM 1001 CG GLU A 168 -13.400 2.390 7.012 1.00 0.00 C ATOM 1002 CD GLU A 168 -14.611 3.132 6.403 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -14.838 4.307 6.782 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -15.359 2.566 5.568 1.00 0.00 O ATOM 0 H GLU A 168 -11.008 1.096 5.628 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.945 0.569 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.226 0.857 5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -14.207 0.389 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -13.464 2.439 8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -12.485 2.908 6.723 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.796 -2.089 6.361 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.771 -3.562 6.438 1.00 0.00 C ATOM 1013 C ILE A 169 -10.768 -4.039 7.506 1.00 0.00 C ATOM 1014 O ILE A 169 -11.065 -4.966 8.263 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.465 -4.159 5.045 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.617 -3.836 4.062 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.247 -5.680 5.101 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -12.220 -3.978 2.590 1.00 0.00 C ATOM 0 H ILE A 169 -11.372 -1.721 5.509 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.754 -3.920 6.745 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.539 -3.703 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.458 -4.498 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.962 -2.818 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -11.035 -6.054 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.406 -5.903 5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -12.145 -6.162 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -13.075 -3.737 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.400 -3.296 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.903 -5.003 2.396 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.611 -3.368 7.596 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.517 -3.528 8.578 1.00 0.00 C ATOM 1032 C HIS A 170 -7.762 -4.870 8.534 1.00 0.00 C ATOM 1033 O HIS A 170 -6.533 -4.871 8.578 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.025 -3.194 9.994 1.00 0.00 C ATOM 1035 CG HIS A 170 -7.943 -2.722 10.938 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -7.710 -1.394 11.311 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -6.984 -3.508 11.505 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -6.620 -1.415 12.098 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.168 -2.672 12.235 1.00 0.00 N ATOM 0 H HIS A 170 -9.392 -2.632 6.925 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.754 -2.809 8.280 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.792 -2.423 9.922 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.501 -4.079 10.416 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.884 -4.578 11.402 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -6.172 -0.545 12.555 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.359 -2.959 12.786 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.460 -5.998 8.400 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.897 -7.343 8.226 1.00 0.00 C ATOM 1049 C PHE A 171 -8.121 -7.997 6.857 1.00 0.00 C ATOM 1050 O PHE A 171 -9.263 -8.149 6.418 1.00 0.00 O ATOM 1051 CB PHE A 171 -8.200 -8.251 9.425 1.00 0.00 C ATOM 1052 CG PHE A 171 -7.330 -7.983 10.639 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -6.036 -8.534 10.713 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -7.807 -7.182 11.695 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -5.221 -8.283 11.832 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -6.992 -6.931 12.815 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.699 -7.479 12.882 1.00 0.00 C ATOM 0 H PHE A 171 -9.480 -6.002 8.410 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.818 -7.191 8.215 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -9.246 -8.127 9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -8.072 -9.290 9.122 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -5.668 -9.152 9.907 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -8.800 -6.760 11.645 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -4.229 -8.707 11.885 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -7.360 -6.317 13.624 1.00 0.00 H new ATOM 0 HZ PHE A 171 -5.073 -7.282 13.740 1.00 0.00 H new ATOM 1067 N HIS A 172 -7.037 -8.390 6.183 1.00 0.00 N ATOM 1068 CA HIS A 172 -7.018 -8.838 4.782 1.00 0.00 C ATOM 1069 C HIS A 172 -6.288 -10.178 4.607 1.00 0.00 C ATOM 1070 O HIS A 172 -5.488 -10.574 5.452 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.378 -7.740 3.916 1.00 0.00 C ATOM 1072 CG HIS A 172 -7.210 -6.489 3.749 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.959 -6.168 2.612 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.330 -5.471 4.652 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.480 -4.952 2.847 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -8.111 -4.510 4.058 1.00 0.00 N ATOM 0 H HIS A 172 -6.112 -8.407 6.612 1.00 0.00 H new ATOM 0 HA HIS A 172 -8.045 -9.009 4.460 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.420 -7.464 4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -6.169 -8.153 2.929 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.896 -5.430 5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -9.108 -4.407 2.157 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.367 -3.612 4.469 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.547 -10.882 3.505 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.885 -12.151 3.161 1.00 0.00 C ATOM 1086 C GLU A 173 -4.873 -11.961 2.017 1.00 0.00 C ATOM 1087 O GLU A 173 -5.230 -11.449 0.953 1.00 0.00 O ATOM 1088 CB GLU A 173 -6.958 -13.202 2.831 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.378 -14.587 2.497 1.00 0.00 C ATOM 1090 CD GLU A 173 -7.456 -15.657 2.209 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -7.071 -16.798 1.858 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -8.677 -15.390 2.335 1.00 0.00 O ATOM 0 H GLU A 173 -7.234 -10.586 2.811 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.308 -12.507 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.636 -13.296 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.551 -12.852 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -5.725 -14.498 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -5.758 -14.922 3.329 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.623 -12.399 2.220 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.538 -12.375 1.221 1.00 0.00 C ATOM 1101 C ILE A 174 -1.799 -13.712 1.257 1.00 0.00 C ATOM 1102 O ILE A 174 -1.317 -14.118 2.312 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.573 -11.186 1.463 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.318 -9.857 1.198 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.305 -11.322 0.591 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.461 -8.591 1.278 1.00 0.00 C ATOM 0 H ILE A 174 -3.326 -12.793 3.113 1.00 0.00 H new ATOM 0 HA ILE A 174 -2.967 -12.231 0.229 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.243 -11.191 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -2.770 -9.906 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.133 -9.769 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 174 0.357 -10.477 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 174 0.211 -12.249 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -0.587 -11.336 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.082 -7.718 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -1.029 -8.506 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -0.661 -8.646 0.540 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.708 -14.411 0.120 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.101 -15.748 0.015 1.00 0.00 C ATOM 1120 C ASN A 175 -1.647 -16.754 1.063 1.00 0.00 C ATOM 1121 O ASN A 175 -0.906 -17.552 1.641 1.00 0.00 O ATOM 1122 CB ASN A 175 0.438 -15.634 -0.041 1.00 0.00 C ATOM 1123 CG ASN A 175 0.959 -15.014 -1.330 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.408 -15.182 -2.411 1.00 0.00 O ATOM 1125 ND2 ASN A 175 2.074 -14.331 -1.266 1.00 0.00 N ATOM 0 H ASN A 175 -2.060 -14.059 -0.771 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.411 -16.193 -0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.780 -15.036 0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.872 -16.627 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.482 -13.940 -2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.535 -14.190 -0.367 1.00 0.00 H new ATOM 1132 N ASN A 176 -2.955 -16.662 1.347 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.694 -17.384 2.396 1.00 0.00 C ATOM 1134 C ASN A 176 -3.222 -17.124 3.853 1.00 0.00 C ATOM 1135 O ASN A 176 -3.644 -17.818 4.782 1.00 0.00 O ATOM 1136 CB ASN A 176 -3.839 -18.866 1.987 1.00 0.00 C ATOM 1137 CG ASN A 176 -4.836 -19.657 2.824 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -4.515 -20.687 3.404 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -6.082 -19.238 2.893 1.00 0.00 N ATOM 0 H ASN A 176 -3.565 -16.041 0.816 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.696 -16.959 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -4.143 -18.913 0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -2.863 -19.346 2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -6.770 -19.770 3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -6.359 -18.381 2.414 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.389 -16.097 4.078 1.00 0.00 N ATOM 1147 CA LYS A 177 -2.003 -15.565 5.398 1.00 0.00 C ATOM 1148 C LYS A 177 -2.851 -14.331 5.753 1.00 0.00 C ATOM 1149 O LYS A 177 -3.218 -13.548 4.875 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.491 -15.262 5.378 1.00 0.00 C ATOM 1151 CG LYS A 177 0.136 -14.924 6.742 1.00 0.00 C ATOM 1152 CD LYS A 177 0.067 -16.035 7.803 1.00 0.00 C ATOM 1153 CE LYS A 177 0.750 -17.332 7.342 1.00 0.00 C ATOM 1154 NZ LYS A 177 0.717 -18.375 8.404 1.00 0.00 N ATOM 0 H LYS A 177 -1.945 -15.590 3.312 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.196 -16.300 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.029 -16.125 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.315 -14.427 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 177 1.182 -14.662 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -0.359 -14.037 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.539 -15.686 8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -0.977 -16.242 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 177 0.254 -17.707 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 177 1.784 -17.122 7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 1.186 -19.237 8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 1.212 -18.026 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -0.271 -18.592 8.647 1.00 0.00 H new ATOM 1168 N MET A 178 -3.166 -14.155 7.035 1.00 0.00 N ATOM 1169 CA MET A 178 -3.901 -13.008 7.579 1.00 0.00 C ATOM 1170 C MET A 178 -2.949 -11.820 7.792 1.00 0.00 C ATOM 1171 O MET A 178 -1.918 -11.972 8.451 1.00 0.00 O ATOM 1172 CB MET A 178 -4.558 -13.450 8.901 1.00 0.00 C ATOM 1173 CG MET A 178 -5.324 -12.361 9.669 1.00 0.00 C ATOM 1174 SD MET A 178 -7.129 -12.335 9.454 1.00 0.00 S ATOM 1175 CE MET A 178 -7.282 -11.743 7.750 1.00 0.00 C ATOM 0 H MET A 178 -2.908 -14.832 7.753 1.00 0.00 H new ATOM 0 HA MET A 178 -4.673 -12.679 6.883 1.00 0.00 H new ATOM 0 HB2 MET A 178 -5.246 -14.268 8.686 1.00 0.00 H new ATOM 0 HB3 MET A 178 -3.782 -13.850 9.554 1.00 0.00 H new ATOM 0 HG2 MET A 178 -5.108 -12.477 10.731 1.00 0.00 H new ATOM 0 HG3 MET A 178 -4.930 -11.390 9.368 1.00 0.00 H new ATOM 0 HE1 MET A 178 -8.322 -11.491 7.544 1.00 0.00 H new ATOM 0 HE2 MET A 178 -6.661 -10.857 7.615 1.00 0.00 H new ATOM 0 HE3 MET A 178 -6.955 -12.523 7.063 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.308 -10.640 7.279 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.542 -9.391 7.432 1.00 0.00 C ATOM 1187 C VAL A 179 -3.371 -8.239 7.989 1.00 0.00 C ATOM 1188 O VAL A 179 -4.565 -8.115 7.715 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.803 -8.966 6.146 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.954 -10.104 5.588 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.717 -8.446 5.031 1.00 0.00 C ATOM 0 H VAL A 179 -4.160 -10.519 6.731 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.782 -9.629 8.176 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.172 -8.136 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.448 -9.770 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.213 -10.402 6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.594 -10.954 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -2.114 -8.170 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.424 -9.225 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.263 -7.572 5.386 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.710 -7.377 8.756 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.262 -6.112 9.252 1.00 0.00 C ATOM 1203 C GLU A 180 -2.885 -4.962 8.306 1.00 0.00 C ATOM 1204 O GLU A 180 -1.704 -4.778 7.998 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.740 -5.830 10.671 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.538 -4.694 11.330 1.00 0.00 C ATOM 1207 CD GLU A 180 -2.987 -4.230 12.689 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -3.714 -3.490 13.394 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -1.819 -4.526 13.038 1.00 0.00 O ATOM 0 H GLU A 180 -1.750 -7.540 9.060 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.349 -6.191 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.815 -6.733 11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.684 -5.562 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.560 -3.841 10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.569 -5.022 11.463 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.870 -4.167 7.885 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.685 -2.982 7.044 1.00 0.00 C ATOM 1218 C CYS A 181 -4.099 -1.717 7.805 1.00 0.00 C ATOM 1219 O CYS A 181 -5.218 -1.628 8.318 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.477 -3.125 5.740 1.00 0.00 C ATOM 1221 SG CYS A 181 -3.975 -4.649 4.899 1.00 0.00 S ATOM 0 H CYS A 181 -4.847 -4.334 8.126 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.629 -2.893 6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -5.546 -3.148 5.951 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.297 -2.264 5.096 1.00 0.00 H new ATOM 0 HG CYS A 181 -3.961 -4.451 3.614 1.00 0.00 H new ATOM 1227 N LYS A 182 -3.198 -0.733 7.865 1.00 0.00 N ATOM 1228 CA LYS A 182 -3.325 0.481 8.691 1.00 0.00 C ATOM 1229 C LYS A 182 -2.633 1.674 8.034 1.00 0.00 C ATOM 1230 O LYS A 182 -1.664 1.492 7.308 1.00 0.00 O ATOM 1231 CB LYS A 182 -2.834 0.189 10.127 1.00 0.00 C ATOM 1232 CG LYS A 182 -1.465 -0.500 10.263 1.00 0.00 C ATOM 1233 CD LYS A 182 -1.235 -0.973 11.708 1.00 0.00 C ATOM 1234 CE LYS A 182 0.021 -1.847 11.791 1.00 0.00 C ATOM 1235 NZ LYS A 182 0.129 -2.545 13.094 1.00 0.00 N ATOM 0 H LYS A 182 -2.332 -0.755 7.326 1.00 0.00 H new ATOM 0 HA LYS A 182 -4.375 0.765 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -2.796 1.132 10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -3.579 -0.434 10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -1.412 -1.351 9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -0.674 0.191 9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -1.130 -0.111 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -2.101 -1.536 12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 182 0.004 -2.582 10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.904 -1.227 11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.041 -3.043 13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.069 -1.851 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -0.646 -3.232 13.185 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.129 2.898 8.240 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.596 4.108 7.576 1.00 0.00 C ATOM 1251 C LYS A 183 -1.126 4.357 7.939 1.00 0.00 C ATOM 1252 O LYS A 183 -0.728 4.167 9.091 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.484 5.328 7.879 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.863 5.183 7.215 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.838 6.274 7.674 1.00 0.00 C ATOM 1256 CE LYS A 183 -7.217 6.009 7.058 1.00 0.00 C ATOM 1257 NZ LYS A 183 -8.231 6.979 7.539 1.00 0.00 N ATOM 0 H LYS A 183 -3.910 3.086 8.869 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.621 3.941 6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.605 5.436 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.997 6.235 7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.751 5.229 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.278 4.203 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.908 6.282 8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.473 7.255 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -7.147 6.065 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.537 4.997 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -9.166 6.717 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -8.256 6.968 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -7.983 7.933 7.209 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.316 4.753 6.958 1.00 0.00 N ATOM 1272 CA ALA A 184 1.120 4.950 7.152 1.00 0.00 C ATOM 1273 C ALA A 184 1.421 6.151 8.072 1.00 0.00 C ATOM 1274 O ALA A 184 0.851 7.232 7.905 1.00 0.00 O ATOM 1275 CB ALA A 184 1.792 5.100 5.782 1.00 0.00 C ATOM 0 H ALA A 184 -0.636 4.946 6.009 1.00 0.00 H new ATOM 0 HA ALA A 184 1.531 4.076 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.864 5.247 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.621 4.199 5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.370 5.960 5.262 1.00 0.00 H new