USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 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 -135:sc= 0.679 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.28 K(o=2,f=0.86) USER MOD Set 2.1: A 128 TYR OH : rot -168:sc= 1.17 USER MOD Set 2.2: A 172 HIS : no HD1:sc= 1.54 K(o=1.4,f=-6.8!) USER MOD Set 2.3: A 181 CYS SG : rot 175:sc= -1.3 USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= 1.12 (180deg=1.11) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0.0447 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 156:sc= 0.806 (180deg=0.483) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 131 GLN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 MET CE :methyl -178:sc= 0 (180deg=-0.00355) USER MOD Single : A 141 MET CE :methyl -129:sc= -0.259 (180deg=-0.941) USER MOD Single : A 149 HIS : no HD1:sc= 0.93 K(o=0.93,f=-6.4!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.0313 USER MOD Single : A 165 LYS NZ :NH3+ -179:sc= 1.04 (180deg=1.04) USER MOD Single : A 167 CYS SG : rot -20:sc= 0 USER MOD Single : A 170 HIS : no HD1:sc= 0.98 K(o=0.98,f=-3.2!) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 177 LYS NZ :NH3+ 146:sc= 1.88 (180deg=1.02) 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+ 153:sc= 1.25 (180deg=0.405) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -1.573 8.954 0.558 1.00 0.00 N ATOM 56 CA LYS A 109 -2.274 7.781 -0.003 1.00 0.00 C ATOM 57 C LYS A 109 -1.604 6.421 0.300 1.00 0.00 C ATOM 58 O LYS A 109 -1.647 5.522 -0.537 1.00 0.00 O ATOM 59 CB LYS A 109 -2.482 7.991 -1.520 1.00 0.00 C ATOM 60 CG LYS A 109 -3.432 9.145 -1.880 1.00 0.00 C ATOM 61 CD LYS A 109 -3.454 9.330 -3.404 1.00 0.00 C ATOM 62 CE LYS A 109 -4.218 10.586 -3.830 1.00 0.00 C ATOM 63 NZ LYS A 109 -4.193 10.771 -5.304 1.00 0.00 N ATOM 0 HA LYS A 109 -3.238 7.718 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.513 8.176 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.871 7.069 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.436 8.932 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.105 10.065 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.431 9.388 -3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.912 8.456 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.251 10.517 -3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.781 11.459 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.763 11.603 -5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.212 10.913 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.587 9.927 -5.767 1.00 0.00 H new ATOM 77 N LYS A 110 -0.941 6.256 1.452 1.00 0.00 N ATOM 78 CA LYS A 110 -0.096 5.089 1.779 1.00 0.00 C ATOM 79 C LYS A 110 -0.600 4.316 3.005 1.00 0.00 C ATOM 80 O LYS A 110 -0.941 4.917 4.027 1.00 0.00 O ATOM 81 CB LYS A 110 1.367 5.551 1.927 1.00 0.00 C ATOM 82 CG LYS A 110 2.376 4.384 1.920 1.00 0.00 C ATOM 83 CD LYS A 110 3.836 4.860 2.036 1.00 0.00 C ATOM 84 CE LYS A 110 4.155 5.332 3.461 1.00 0.00 C ATOM 85 NZ LYS A 110 5.559 5.791 3.618 1.00 0.00 N ATOM 0 H LYS A 110 -0.975 6.944 2.204 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.155 4.375 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.609 6.237 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.473 6.109 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.151 3.710 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.257 3.812 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.509 4.048 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.013 5.674 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.480 6.145 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.964 4.517 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.716 6.097 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.207 5.010 3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.738 6.587 2.974 1.00 0.00 H new ATOM 99 N ILE A 111 -0.577 2.985 2.929 1.00 0.00 N ATOM 100 CA ILE A 111 -0.817 2.072 4.061 1.00 0.00 C ATOM 101 C ILE A 111 0.412 1.210 4.341 1.00 0.00 C ATOM 102 O ILE A 111 1.202 0.888 3.453 1.00 0.00 O ATOM 103 CB ILE A 111 -2.059 1.161 3.858 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.795 -0.011 2.883 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.282 1.999 3.470 1.00 0.00 C ATOM 106 CD1 ILE A 111 -3.004 -0.904 2.576 1.00 0.00 C ATOM 0 H ILE A 111 -0.386 2.493 2.056 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.019 2.711 4.921 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.277 0.684 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.421 0.398 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.002 -0.634 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.143 1.344 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.496 2.718 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.078 2.531 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.708 -1.692 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.370 -1.351 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.795 -0.304 2.126 1.00 0.00 H new ATOM 118 N PHE A 112 0.524 0.822 5.604 1.00 0.00 N ATOM 119 CA PHE A 112 1.390 -0.225 6.118 1.00 0.00 C ATOM 120 C PHE A 112 0.633 -1.560 6.024 1.00 0.00 C ATOM 121 O PHE A 112 -0.567 -1.610 6.308 1.00 0.00 O ATOM 122 CB PHE A 112 1.720 0.112 7.575 1.00 0.00 C ATOM 123 CG PHE A 112 2.573 -0.907 8.301 1.00 0.00 C ATOM 124 CD1 PHE A 112 1.977 -2.014 8.933 1.00 0.00 C ATOM 125 CD2 PHE A 112 3.963 -0.725 8.384 1.00 0.00 C ATOM 126 CE1 PHE A 112 2.766 -2.912 9.676 1.00 0.00 C ATOM 127 CE2 PHE A 112 4.748 -1.627 9.116 1.00 0.00 C ATOM 128 CZ PHE A 112 4.154 -2.717 9.772 1.00 0.00 C ATOM 0 H PHE A 112 -0.025 1.261 6.344 1.00 0.00 H new ATOM 0 HA PHE A 112 2.316 -0.302 5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.232 1.074 7.600 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.785 0.234 8.122 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.912 -2.175 8.848 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.428 0.111 7.883 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.304 -3.752 10.173 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.817 -1.482 9.176 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.760 -3.401 10.347 1.00 0.00 H new ATOM 138 N VAL A 113 1.329 -2.640 5.673 1.00 0.00 N ATOM 139 CA VAL A 113 0.806 -4.013 5.644 1.00 0.00 C ATOM 140 C VAL A 113 1.691 -4.909 6.504 1.00 0.00 C ATOM 141 O VAL A 113 2.862 -5.092 6.175 1.00 0.00 O ATOM 142 CB VAL A 113 0.684 -4.551 4.203 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.015 -5.916 4.186 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.093 -3.596 3.288 1.00 0.00 C ATOM 0 H VAL A 113 2.308 -2.586 5.390 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.203 -4.011 6.056 1.00 0.00 H new ATOM 0 HB VAL A 113 1.703 -4.645 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.089 -6.274 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.561 -6.627 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.015 -5.818 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.151 -4.020 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.100 -3.454 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.419 -2.635 3.246 1.00 0.00 H new ATOM 154 N GLY A 114 1.154 -5.440 7.606 1.00 0.00 N ATOM 155 CA GLY A 114 1.905 -6.204 8.610 1.00 0.00 C ATOM 156 C GLY A 114 1.475 -7.665 8.741 1.00 0.00 C ATOM 157 O GLY A 114 0.287 -7.980 8.648 1.00 0.00 O ATOM 0 H GLY A 114 0.163 -5.350 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.965 -6.171 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.793 -5.717 9.579 1.00 0.00 H new ATOM 161 N GLY A 115 2.440 -8.551 8.998 1.00 0.00 N ATOM 162 CA GLY A 115 2.219 -9.989 9.191 1.00 0.00 C ATOM 163 C GLY A 115 2.237 -10.816 7.899 1.00 0.00 C ATOM 164 O GLY A 115 1.679 -11.913 7.874 1.00 0.00 O ATOM 0 H GLY A 115 3.421 -8.284 9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.985 -10.374 9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.258 -10.133 9.686 1.00 0.00 H new ATOM 168 N LEU A 116 2.838 -10.305 6.821 1.00 0.00 N ATOM 169 CA LEU A 116 3.004 -11.011 5.543 1.00 0.00 C ATOM 170 C LEU A 116 3.858 -12.277 5.717 1.00 0.00 C ATOM 171 O LEU A 116 4.860 -12.261 6.436 1.00 0.00 O ATOM 172 CB LEU A 116 3.673 -10.067 4.522 1.00 0.00 C ATOM 173 CG LEU A 116 2.761 -8.933 4.020 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.600 -7.796 3.442 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.842 -9.419 2.898 1.00 0.00 C ATOM 0 H LEU A 116 3.233 -9.365 6.810 1.00 0.00 H new ATOM 0 HA LEU A 116 2.021 -11.312 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.562 -9.629 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.009 -10.654 3.667 1.00 0.00 H new ATOM 0 HG LEU A 116 2.173 -8.597 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.942 -7.001 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.263 -7.404 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.195 -8.170 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.210 -8.597 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.445 -9.776 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.216 -10.231 3.267 1.00 0.00 H new ATOM 187 N SER A 117 3.506 -13.361 5.022 1.00 0.00 N ATOM 188 CA SER A 117 4.359 -14.556 4.942 1.00 0.00 C ATOM 189 C SER A 117 5.689 -14.240 4.249 1.00 0.00 C ATOM 190 O SER A 117 5.720 -13.513 3.254 1.00 0.00 O ATOM 191 CB SER A 117 3.639 -15.698 4.215 1.00 0.00 C ATOM 192 OG SER A 117 4.518 -16.797 4.032 1.00 0.00 O ATOM 0 H SER A 117 2.632 -13.439 4.503 1.00 0.00 H new ATOM 0 HA SER A 117 4.572 -14.877 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.768 -16.012 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.274 -15.350 3.248 1.00 0.00 H new ATOM 0 HG SER A 117 4.046 -17.520 3.568 1.00 0.00 H new ATOM 198 N VAL A 118 6.791 -14.826 4.725 1.00 0.00 N ATOM 199 CA VAL A 118 8.112 -14.716 4.078 1.00 0.00 C ATOM 200 C VAL A 118 8.177 -15.300 2.653 1.00 0.00 C ATOM 201 O VAL A 118 9.069 -14.957 1.875 1.00 0.00 O ATOM 202 CB VAL A 118 9.220 -15.224 5.025 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.396 -16.746 4.973 1.00 0.00 C ATOM 204 CG2 VAL A 118 10.569 -14.554 4.748 1.00 0.00 C ATOM 0 H VAL A 118 6.798 -15.393 5.573 1.00 0.00 H new ATOM 0 HA VAL A 118 8.296 -13.656 3.905 1.00 0.00 H new ATOM 0 HB VAL A 118 8.884 -14.951 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.188 -17.044 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 118 8.463 -17.230 5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 118 9.661 -17.047 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 118 11.317 -14.943 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 118 10.876 -14.765 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 118 10.475 -13.477 4.884 1.00 0.00 H new ATOM 214 N ASN A 119 7.201 -16.139 2.280 1.00 0.00 N ATOM 215 CA ASN A 119 7.027 -16.661 0.919 1.00 0.00 C ATOM 216 C ASN A 119 6.391 -15.630 -0.044 1.00 0.00 C ATOM 217 O ASN A 119 6.598 -15.703 -1.257 1.00 0.00 O ATOM 218 CB ASN A 119 6.167 -17.932 1.020 1.00 0.00 C ATOM 219 CG ASN A 119 6.063 -18.673 -0.306 1.00 0.00 C ATOM 220 OD1 ASN A 119 7.054 -19.030 -0.928 1.00 0.00 O ATOM 221 ND2 ASN A 119 4.866 -18.973 -0.761 1.00 0.00 N ATOM 0 H ASN A 119 6.495 -16.481 2.932 1.00 0.00 H new ATOM 0 HA ASN A 119 8.005 -16.885 0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 119 6.594 -18.597 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 119 5.167 -17.664 1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 119 4.768 -19.501 -1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 119 4.036 -18.678 -0.247 1.00 0.00 H new ATOM 228 N THR A 120 5.616 -14.673 0.478 1.00 0.00 N ATOM 229 CA THR A 120 4.944 -13.612 -0.293 1.00 0.00 C ATOM 230 C THR A 120 5.929 -12.607 -0.882 1.00 0.00 C ATOM 231 O THR A 120 6.876 -12.196 -0.209 1.00 0.00 O ATOM 232 CB THR A 120 3.906 -12.890 0.582 1.00 0.00 C ATOM 233 OG1 THR A 120 3.000 -13.846 1.090 1.00 0.00 O ATOM 234 CG2 THR A 120 3.086 -11.819 -0.133 1.00 0.00 C ATOM 0 H THR A 120 5.431 -14.610 1.479 1.00 0.00 H new ATOM 0 HA THR A 120 4.439 -14.096 -1.129 1.00 0.00 H new ATOM 0 HB THR A 120 4.481 -12.382 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.084 -13.509 0.999 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.384 -11.370 0.569 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.753 -11.049 -0.522 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.535 -12.272 -0.957 1.00 0.00 H new ATOM 242 N THR A 121 5.676 -12.174 -2.120 1.00 0.00 N ATOM 243 CA THR A 121 6.411 -11.098 -2.805 1.00 0.00 C ATOM 244 C THR A 121 5.582 -9.843 -3.082 1.00 0.00 C ATOM 245 O THR A 121 4.352 -9.877 -3.071 1.00 0.00 O ATOM 246 CB THR A 121 7.188 -11.623 -4.022 1.00 0.00 C ATOM 247 OG1 THR A 121 8.211 -10.703 -4.340 1.00 0.00 O ATOM 248 CG2 THR A 121 6.330 -11.803 -5.273 1.00 0.00 C ATOM 0 H THR A 121 4.932 -12.572 -2.694 1.00 0.00 H new ATOM 0 HA THR A 121 7.159 -10.746 -2.095 1.00 0.00 H new ATOM 0 HB THR A 121 7.572 -12.603 -3.740 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.715 -11.029 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 121 6.950 -12.176 -6.088 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.532 -12.517 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.895 -10.845 -5.557 1.00 0.00 H new ATOM 256 N VAL A 122 6.255 -8.718 -3.333 1.00 0.00 N ATOM 257 CA VAL A 122 5.652 -7.386 -3.506 1.00 0.00 C ATOM 258 C VAL A 122 4.558 -7.306 -4.579 1.00 0.00 C ATOM 259 O VAL A 122 3.560 -6.606 -4.409 1.00 0.00 O ATOM 260 CB VAL A 122 6.775 -6.354 -3.725 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.397 -6.395 -5.127 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.278 -4.936 -3.460 1.00 0.00 C ATOM 0 H VAL A 122 7.271 -8.704 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 122 5.112 -7.154 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 122 7.550 -6.632 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.179 -5.639 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.827 -7.380 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.627 -6.195 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.092 -4.229 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.456 -4.706 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 122 5.930 -4.859 -2.430 1.00 0.00 H new ATOM 272 N GLU A 123 4.703 -8.075 -5.660 1.00 0.00 N ATOM 273 CA GLU A 123 3.716 -8.139 -6.743 1.00 0.00 C ATOM 274 C GLU A 123 2.419 -8.852 -6.327 1.00 0.00 C ATOM 275 O GLU A 123 1.346 -8.465 -6.788 1.00 0.00 O ATOM 276 CB GLU A 123 4.326 -8.828 -7.975 1.00 0.00 C ATOM 277 CG GLU A 123 5.517 -8.047 -8.558 1.00 0.00 C ATOM 278 CD GLU A 123 6.042 -8.615 -9.895 1.00 0.00 C ATOM 279 OE1 GLU A 123 5.609 -9.706 -10.344 1.00 0.00 O ATOM 280 OE2 GLU A 123 6.917 -7.962 -10.517 1.00 0.00 O ATOM 0 H GLU A 123 5.514 -8.675 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 123 3.448 -7.111 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.653 -9.831 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.559 -8.940 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.220 -7.009 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.329 -8.046 -7.831 1.00 0.00 H new ATOM 287 N ASP A 124 2.483 -9.835 -5.416 1.00 0.00 N ATOM 288 CA ASP A 124 1.291 -10.492 -4.850 1.00 0.00 C ATOM 289 C ASP A 124 0.482 -9.465 -4.042 1.00 0.00 C ATOM 290 O ASP A 124 -0.745 -9.410 -4.139 1.00 0.00 O ATOM 291 CB ASP A 124 1.673 -11.628 -3.879 1.00 0.00 C ATOM 292 CG ASP A 124 2.640 -12.699 -4.404 1.00 0.00 C ATOM 293 OD1 ASP A 124 2.702 -12.946 -5.632 1.00 0.00 O ATOM 294 OD2 ASP A 124 3.312 -13.331 -3.552 1.00 0.00 O ATOM 0 H ASP A 124 3.363 -10.198 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 124 0.719 -10.900 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.115 -11.179 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.756 -12.125 -3.562 1.00 0.00 H new ATOM 299 N VAL A 125 1.182 -8.629 -3.265 1.00 0.00 N ATOM 300 CA VAL A 125 0.591 -7.583 -2.423 1.00 0.00 C ATOM 301 C VAL A 125 -0.082 -6.499 -3.272 1.00 0.00 C ATOM 302 O VAL A 125 -1.254 -6.195 -3.045 1.00 0.00 O ATOM 303 CB VAL A 125 1.633 -7.015 -1.437 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.014 -5.998 -0.477 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.253 -8.132 -0.587 1.00 0.00 C ATOM 0 H VAL A 125 2.200 -8.663 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.198 -8.031 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 125 2.394 -6.530 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.781 -5.623 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.595 -5.168 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.223 -6.477 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.984 -7.704 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.470 -8.633 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.746 -8.854 -1.238 1.00 0.00 H new ATOM 315 N LYS A 126 0.601 -5.971 -4.301 1.00 0.00 N ATOM 316 CA LYS A 126 -0.003 -5.007 -5.240 1.00 0.00 C ATOM 317 C LYS A 126 -1.214 -5.598 -5.974 1.00 0.00 C ATOM 318 O LYS A 126 -2.277 -4.977 -5.977 1.00 0.00 O ATOM 319 CB LYS A 126 1.067 -4.439 -6.193 1.00 0.00 C ATOM 320 CG LYS A 126 0.455 -3.516 -7.264 1.00 0.00 C ATOM 321 CD LYS A 126 1.473 -2.546 -7.883 1.00 0.00 C ATOM 322 CE LYS A 126 0.774 -1.707 -8.963 1.00 0.00 C ATOM 323 NZ LYS A 126 1.683 -0.723 -9.608 1.00 0.00 N ATOM 0 H LYS A 126 1.575 -6.195 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.396 -4.169 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.808 -3.884 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.592 -5.261 -6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.019 -4.127 -8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.358 -2.943 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.890 -1.896 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.305 -3.100 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.366 -2.371 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.068 -1.178 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.321 -0.484 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.731 0.138 -9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 2.634 -1.135 -9.696 1.00 0.00 H new ATOM 337 N HIS A 127 -1.094 -6.807 -6.531 1.00 0.00 N ATOM 338 CA HIS A 127 -2.192 -7.500 -7.217 1.00 0.00 C ATOM 339 C HIS A 127 -3.414 -7.723 -6.311 1.00 0.00 C ATOM 340 O HIS A 127 -4.545 -7.484 -6.737 1.00 0.00 O ATOM 341 CB HIS A 127 -1.666 -8.830 -7.770 1.00 0.00 C ATOM 342 CG HIS A 127 -2.662 -9.545 -8.643 1.00 0.00 C ATOM 343 ND1 HIS A 127 -3.610 -10.483 -8.223 1.00 0.00 N ATOM 344 CD2 HIS A 127 -2.788 -9.357 -9.986 1.00 0.00 C ATOM 345 CE1 HIS A 127 -4.287 -10.838 -9.329 1.00 0.00 C ATOM 346 NE2 HIS A 127 -3.813 -10.179 -10.402 1.00 0.00 N ATOM 0 H HIS A 127 -0.224 -7.339 -6.519 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.539 -6.866 -8.033 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.758 -8.644 -8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.390 -9.478 -6.938 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -2.200 -8.694 -10.604 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -5.097 -11.552 -9.353 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -4.154 -10.272 -11.359 1.00 0.00 H new ATOM 354 N TYR A 128 -3.197 -8.098 -5.045 1.00 0.00 N ATOM 355 CA TYR A 128 -4.269 -8.213 -4.059 1.00 0.00 C ATOM 356 C TYR A 128 -4.990 -6.900 -3.718 1.00 0.00 C ATOM 357 O TYR A 128 -6.223 -6.845 -3.727 1.00 0.00 O ATOM 358 CB TYR A 128 -3.812 -8.993 -2.818 1.00 0.00 C ATOM 359 CG TYR A 128 -4.817 -8.956 -1.682 1.00 0.00 C ATOM 360 CD1 TYR A 128 -5.813 -9.949 -1.610 1.00 0.00 C ATOM 361 CD2 TYR A 128 -4.797 -7.911 -0.736 1.00 0.00 C ATOM 362 CE1 TYR A 128 -6.796 -9.894 -0.605 1.00 0.00 C ATOM 363 CE2 TYR A 128 -5.781 -7.853 0.268 1.00 0.00 C ATOM 364 CZ TYR A 128 -6.784 -8.845 0.337 1.00 0.00 C ATOM 365 OH TYR A 128 -7.739 -8.802 1.305 1.00 0.00 O ATOM 0 H TYR A 128 -2.273 -8.329 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 128 -5.045 -8.800 -4.550 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -3.628 -10.030 -3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.864 -8.584 -2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -5.822 -10.755 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -4.027 -7.155 -0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -7.560 -10.656 -0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -5.769 -7.048 0.988 1.00 0.00 H new ATOM 0 HH TYR A 128 -7.712 -7.931 1.753 1.00 0.00 H new ATOM 375 N PHE A 129 -4.235 -5.825 -3.462 1.00 0.00 N ATOM 376 CA PHE A 129 -4.809 -4.510 -3.164 1.00 0.00 C ATOM 377 C PHE A 129 -5.498 -3.766 -4.321 1.00 0.00 C ATOM 378 O PHE A 129 -6.445 -3.012 -4.095 1.00 0.00 O ATOM 379 CB PHE A 129 -3.856 -3.649 -2.321 1.00 0.00 C ATOM 380 CG PHE A 129 -3.748 -4.095 -0.870 1.00 0.00 C ATOM 381 CD1 PHE A 129 -2.559 -4.679 -0.398 1.00 0.00 C ATOM 382 CD2 PHE A 129 -4.844 -3.964 0.007 1.00 0.00 C ATOM 383 CE1 PHE A 129 -2.467 -5.146 0.926 1.00 0.00 C ATOM 384 CE2 PHE A 129 -4.751 -4.431 1.332 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.565 -5.022 1.793 1.00 0.00 C ATOM 0 H PHE A 129 -3.215 -5.843 -3.456 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.674 -4.735 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.865 -3.672 -2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.196 -2.614 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -1.709 -4.770 -1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -5.758 -3.504 -0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.552 -5.600 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -5.597 -4.334 1.997 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.497 -5.380 2.810 1.00 0.00 H new ATOM 395 N GLU A 130 -5.102 -4.052 -5.569 1.00 0.00 N ATOM 396 CA GLU A 130 -5.747 -3.535 -6.791 1.00 0.00 C ATOM 397 C GLU A 130 -7.232 -3.920 -6.955 1.00 0.00 C ATOM 398 O GLU A 130 -7.958 -3.262 -7.704 1.00 0.00 O ATOM 399 CB GLU A 130 -4.956 -3.969 -8.040 1.00 0.00 C ATOM 400 CG GLU A 130 -3.765 -3.041 -8.312 1.00 0.00 C ATOM 401 CD GLU A 130 -2.966 -3.411 -9.579 1.00 0.00 C ATOM 402 OE1 GLU A 130 -2.158 -2.564 -10.027 1.00 0.00 O ATOM 403 OE2 GLU A 130 -3.133 -4.522 -10.139 1.00 0.00 O ATOM 0 H GLU A 130 -4.308 -4.662 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.732 -2.451 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.598 -4.990 -7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.618 -3.974 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.128 -2.018 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.096 -3.062 -7.452 1.00 0.00 H new ATOM 410 N GLN A 131 -7.704 -4.950 -6.245 1.00 0.00 N ATOM 411 CA GLN A 131 -9.110 -5.385 -6.236 1.00 0.00 C ATOM 412 C GLN A 131 -10.065 -4.296 -5.735 1.00 0.00 C ATOM 413 O GLN A 131 -11.135 -4.063 -6.303 1.00 0.00 O ATOM 414 CB GLN A 131 -9.242 -6.607 -5.316 1.00 0.00 C ATOM 415 CG GLN A 131 -8.466 -7.797 -5.877 1.00 0.00 C ATOM 416 CD GLN A 131 -8.639 -9.048 -5.021 1.00 0.00 C ATOM 417 OE1 GLN A 131 -9.406 -9.953 -5.327 1.00 0.00 O ATOM 418 NE2 GLN A 131 -8.080 -9.057 -3.831 1.00 0.00 N ATOM 0 H GLN A 131 -7.107 -5.520 -5.645 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.385 -5.620 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -8.869 -6.361 -4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -10.293 -6.873 -5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.804 -8.003 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.408 -7.543 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.439 -8.310 -3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.287 -9.811 -3.176 1.00 0.00 H new ATOM 427 N PHE A 132 -9.653 -3.632 -4.658 1.00 0.00 N ATOM 428 CA PHE A 132 -10.396 -2.545 -4.007 1.00 0.00 C ATOM 429 C PHE A 132 -10.411 -1.250 -4.831 1.00 0.00 C ATOM 430 O PHE A 132 -11.412 -0.531 -4.845 1.00 0.00 O ATOM 431 CB PHE A 132 -9.795 -2.281 -2.620 1.00 0.00 C ATOM 432 CG PHE A 132 -9.810 -3.503 -1.725 1.00 0.00 C ATOM 433 CD1 PHE A 132 -8.602 -4.150 -1.402 1.00 0.00 C ATOM 434 CD2 PHE A 132 -11.030 -4.026 -1.258 1.00 0.00 C ATOM 435 CE1 PHE A 132 -8.612 -5.306 -0.604 1.00 0.00 C ATOM 436 CE2 PHE A 132 -11.040 -5.200 -0.485 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.831 -5.837 -0.152 1.00 0.00 C ATOM 0 H PHE A 132 -8.767 -3.838 -4.197 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.434 -2.867 -3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.768 -1.935 -2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.350 -1.477 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.665 -3.757 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.958 -3.526 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.682 -5.787 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -11.978 -5.614 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.840 -6.733 0.450 1.00 0.00 H new ATOM 447 N GLY A 133 -9.304 -0.974 -5.521 1.00 0.00 N ATOM 448 CA GLY A 133 -9.072 0.175 -6.393 1.00 0.00 C ATOM 449 C GLY A 133 -7.587 0.291 -6.754 1.00 0.00 C ATOM 450 O GLY A 133 -6.746 -0.372 -6.146 1.00 0.00 O ATOM 0 H GLY A 133 -8.492 -1.590 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.665 0.074 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.403 1.087 -5.896 1.00 0.00 H new ATOM 454 N LYS A 134 -7.252 1.107 -7.759 1.00 0.00 N ATOM 455 CA LYS A 134 -5.908 1.156 -8.355 1.00 0.00 C ATOM 456 C LYS A 134 -4.812 1.497 -7.335 1.00 0.00 C ATOM 457 O LYS A 134 -4.941 2.411 -6.515 1.00 0.00 O ATOM 458 CB LYS A 134 -5.913 2.103 -9.573 1.00 0.00 C ATOM 459 CG LYS A 134 -4.558 2.258 -10.290 1.00 0.00 C ATOM 460 CD LYS A 134 -4.076 0.965 -10.974 1.00 0.00 C ATOM 461 CE LYS A 134 -2.692 1.117 -11.626 1.00 0.00 C ATOM 462 NZ LYS A 134 -2.699 2.052 -12.782 1.00 0.00 N ATOM 0 H LYS A 134 -7.910 1.758 -8.187 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.655 0.155 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.647 1.740 -10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.247 3.088 -9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.639 3.047 -11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.808 2.579 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -4.040 0.162 -10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -4.800 0.669 -11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -1.981 1.474 -10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.342 0.139 -11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -1.741 2.116 -13.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -3.355 1.701 -13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -3.005 2.994 -12.465 1.00 0.00 H new ATOM 476 N VAL A 135 -3.712 0.758 -7.439 1.00 0.00 N ATOM 477 CA VAL A 135 -2.488 0.894 -6.639 1.00 0.00 C ATOM 478 C VAL A 135 -1.402 1.512 -7.520 1.00 0.00 C ATOM 479 O VAL A 135 -1.146 1.043 -8.629 1.00 0.00 O ATOM 480 CB VAL A 135 -2.060 -0.483 -6.094 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.707 -0.468 -5.376 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.111 -1.030 -5.119 1.00 0.00 C ATOM 0 H VAL A 135 -3.641 0.003 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.661 1.544 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.967 -1.122 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.473 -1.471 -5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.068 -0.138 -6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.752 0.216 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.790 -2.002 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.225 -0.340 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -4.065 -1.136 -5.635 1.00 0.00 H new ATOM 492 N ASP A 136 -0.754 2.561 -7.024 1.00 0.00 N ATOM 493 CA ASP A 136 0.405 3.191 -7.654 1.00 0.00 C ATOM 494 C ASP A 136 1.667 2.317 -7.553 1.00 0.00 C ATOM 495 O ASP A 136 2.250 1.912 -8.561 1.00 0.00 O ATOM 496 CB ASP A 136 0.616 4.588 -7.038 1.00 0.00 C ATOM 497 CG ASP A 136 1.892 5.302 -7.522 1.00 0.00 C ATOM 498 OD1 ASP A 136 2.265 5.167 -8.711 1.00 0.00 O ATOM 499 OD2 ASP A 136 2.501 6.046 -6.717 1.00 0.00 O ATOM 0 H ASP A 136 -1.026 3.010 -6.149 1.00 0.00 H new ATOM 0 HA ASP A 136 0.209 3.301 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.247 5.211 -7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.655 4.493 -5.953 1.00 0.00 H new ATOM 504 N ASP A 137 2.053 1.952 -6.327 1.00 0.00 N ATOM 505 CA ASP A 137 3.333 1.297 -6.029 1.00 0.00 C ATOM 506 C ASP A 137 3.227 0.483 -4.722 1.00 0.00 C ATOM 507 O ASP A 137 2.345 0.717 -3.893 1.00 0.00 O ATOM 508 CB ASP A 137 4.404 2.397 -5.883 1.00 0.00 C ATOM 509 CG ASP A 137 5.851 1.870 -5.905 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.763 2.620 -5.485 1.00 0.00 O ATOM 511 OD2 ASP A 137 6.085 0.726 -6.363 1.00 0.00 O ATOM 0 H ASP A 137 1.477 2.105 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 137 3.600 0.610 -6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.279 3.120 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.237 2.931 -4.947 1.00 0.00 H new ATOM 516 N ALA A 138 4.155 -0.453 -4.523 1.00 0.00 N ATOM 517 CA ALA A 138 4.289 -1.274 -3.318 1.00 0.00 C ATOM 518 C ALA A 138 5.768 -1.614 -3.041 1.00 0.00 C ATOM 519 O ALA A 138 6.580 -1.675 -3.968 1.00 0.00 O ATOM 520 CB ALA A 138 3.425 -2.537 -3.472 1.00 0.00 C ATOM 0 H ALA A 138 4.863 -0.669 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 138 3.934 -0.714 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.520 -3.154 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.382 -2.250 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.760 -3.103 -4.341 1.00 0.00 H new ATOM 526 N MET A 139 6.125 -1.843 -1.771 1.00 0.00 N ATOM 527 CA MET A 139 7.498 -2.174 -1.348 1.00 0.00 C ATOM 528 C MET A 139 7.542 -2.978 -0.040 1.00 0.00 C ATOM 529 O MET A 139 6.903 -2.596 0.939 1.00 0.00 O ATOM 530 CB MET A 139 8.349 -0.893 -1.247 1.00 0.00 C ATOM 531 CG MET A 139 7.796 0.202 -0.323 1.00 0.00 C ATOM 532 SD MET A 139 8.859 1.670 -0.242 1.00 0.00 S ATOM 533 CE MET A 139 8.059 2.562 1.119 1.00 0.00 C ATOM 0 H MET A 139 5.463 -1.804 -0.996 1.00 0.00 H new ATOM 0 HA MET A 139 7.924 -2.821 -2.114 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.345 -1.167 -0.900 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.464 -0.475 -2.247 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.806 0.497 -0.671 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.673 -0.206 0.680 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.568 3.513 1.280 1.00 0.00 H new ATOM 0 HE2 MET A 139 7.014 2.747 0.868 1.00 0.00 H new ATOM 0 HE3 MET A 139 8.113 1.963 2.028 1.00 0.00 H new ATOM 543 N LEU A 140 8.310 -4.073 0.000 1.00 0.00 N ATOM 544 CA LEU A 140 8.547 -4.877 1.213 1.00 0.00 C ATOM 545 C LEU A 140 9.908 -4.545 1.838 1.00 0.00 C ATOM 546 O LEU A 140 10.899 -4.385 1.121 1.00 0.00 O ATOM 547 CB LEU A 140 8.419 -6.385 0.916 1.00 0.00 C ATOM 548 CG LEU A 140 7.091 -6.820 0.266 1.00 0.00 C ATOM 549 CD1 LEU A 140 7.033 -8.345 0.177 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.868 -6.341 1.047 1.00 0.00 C ATOM 0 H LEU A 140 8.794 -4.435 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 140 7.777 -4.619 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 140 9.239 -6.680 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.544 -6.934 1.849 1.00 0.00 H new ATOM 0 HG LEU A 140 7.065 -6.365 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 140 6.092 -8.647 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.865 -8.706 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 140 7.100 -8.771 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.961 -6.676 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.896 -6.753 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.873 -5.252 1.099 1.00 0.00 H new ATOM 562 N MET A 141 9.962 -4.425 3.167 1.00 0.00 N ATOM 563 CA MET A 141 11.174 -4.002 3.881 1.00 0.00 C ATOM 564 C MET A 141 12.094 -5.182 4.213 1.00 0.00 C ATOM 565 O MET A 141 11.701 -6.119 4.912 1.00 0.00 O ATOM 566 CB MET A 141 10.808 -3.218 5.148 1.00 0.00 C ATOM 567 CG MET A 141 10.085 -1.893 4.866 1.00 0.00 C ATOM 568 SD MET A 141 10.942 -0.704 3.791 1.00 0.00 S ATOM 569 CE MET A 141 10.031 -0.934 2.245 1.00 0.00 C ATOM 0 H MET A 141 9.169 -4.617 3.779 1.00 0.00 H new ATOM 0 HA MET A 141 11.731 -3.345 3.213 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.174 -3.840 5.779 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.717 -3.013 5.713 1.00 0.00 H new ATOM 0 HG2 MET A 141 9.119 -2.122 4.416 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.885 -1.405 5.820 1.00 0.00 H new ATOM 0 HE1 MET A 141 10.735 -1.104 1.430 1.00 0.00 H new ATOM 0 HE2 MET A 141 9.368 -1.795 2.338 1.00 0.00 H new ATOM 0 HE3 MET A 141 9.440 -0.042 2.035 1.00 0.00 H new ATOM 699 N HIS A 149 12.671 -10.512 3.785 1.00 0.00 N ATOM 700 CA HIS A 149 11.836 -9.391 4.233 1.00 0.00 C ATOM 701 C HIS A 149 11.334 -9.624 5.667 1.00 0.00 C ATOM 702 O HIS A 149 11.176 -10.763 6.113 1.00 0.00 O ATOM 703 CB HIS A 149 10.725 -9.057 3.226 1.00 0.00 C ATOM 704 CG HIS A 149 9.597 -10.049 3.129 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.563 -10.185 4.058 1.00 0.00 N ATOM 706 CD2 HIS A 149 9.275 -10.752 2.006 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.658 -10.996 3.484 1.00 0.00 C ATOM 708 NE2 HIS A 149 8.066 -11.356 2.257 1.00 0.00 N ATOM 0 HA HIS A 149 12.454 -8.494 4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.306 -8.086 3.488 1.00 0.00 H new ATOM 0 HB3 HIS A 149 11.176 -8.954 2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.856 -10.821 1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.734 -11.313 3.944 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.564 -11.973 1.619 1.00 0.00 H new ATOM 716 N ARG A 150 11.107 -8.536 6.410 1.00 0.00 N ATOM 717 CA ARG A 150 10.668 -8.544 7.820 1.00 0.00 C ATOM 718 C ARG A 150 9.173 -8.838 8.026 1.00 0.00 C ATOM 719 O ARG A 150 8.628 -8.537 9.085 1.00 0.00 O ATOM 720 CB ARG A 150 11.146 -7.250 8.511 1.00 0.00 C ATOM 721 CG ARG A 150 12.588 -7.366 9.027 1.00 0.00 C ATOM 722 CD ARG A 150 13.101 -6.023 9.569 1.00 0.00 C ATOM 723 NE ARG A 150 13.488 -5.126 8.467 1.00 0.00 N ATOM 724 CZ ARG A 150 13.554 -3.810 8.454 1.00 0.00 C ATOM 725 NH1 ARG A 150 13.141 -3.026 9.404 1.00 0.00 N ATOM 726 NH2 ARG A 150 14.084 -3.219 7.436 1.00 0.00 N ATOM 0 H ARG A 150 11.226 -7.593 6.040 1.00 0.00 H new ATOM 0 HA ARG A 150 11.144 -9.395 8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 150 11.079 -6.419 7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.482 -7.018 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 150 12.635 -8.119 9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 150 13.238 -7.707 8.221 1.00 0.00 H new ATOM 0 HD2 ARG A 150 12.327 -5.550 10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 150 13.956 -6.193 10.223 1.00 0.00 H new ATOM 0 HE ARG A 150 13.740 -5.587 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 150 12.725 -3.422 10.247 1.00 0.00 H new ATOM 0 HH12 ARG A 150 13.233 -2.015 9.307 1.00 0.00 H new ATOM 0 HH21 ARG A 150 14.444 -3.770 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 150 14.143 -2.201 7.411 1.00 0.00 H new ATOM 740 N GLY A 151 8.492 -9.427 7.044 1.00 0.00 N ATOM 741 CA GLY A 151 7.063 -9.748 7.125 1.00 0.00 C ATOM 742 C GLY A 151 6.151 -8.518 7.111 1.00 0.00 C ATOM 743 O GLY A 151 5.019 -8.592 7.590 1.00 0.00 O ATOM 0 H GLY A 151 8.920 -9.699 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.798 -10.395 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.879 -10.315 8.038 1.00 0.00 H new ATOM 747 N PHE A 152 6.619 -7.382 6.587 1.00 0.00 N ATOM 748 CA PHE A 152 5.801 -6.178 6.452 1.00 0.00 C ATOM 749 C PHE A 152 6.310 -5.351 5.259 1.00 0.00 C ATOM 750 O PHE A 152 7.427 -5.525 4.756 1.00 0.00 O ATOM 751 CB PHE A 152 5.876 -5.353 7.750 1.00 0.00 C ATOM 752 CG PHE A 152 7.123 -4.507 7.946 1.00 0.00 C ATOM 753 CD1 PHE A 152 8.262 -5.035 8.583 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.133 -3.170 7.503 1.00 0.00 C ATOM 755 CE1 PHE A 152 9.408 -4.237 8.759 1.00 0.00 C ATOM 756 CE2 PHE A 152 8.267 -2.367 7.700 1.00 0.00 C ATOM 757 CZ PHE A 152 9.410 -2.905 8.315 1.00 0.00 C ATOM 0 H PHE A 152 7.574 -7.273 6.246 1.00 0.00 H new ATOM 0 HA PHE A 152 4.762 -6.454 6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 152 5.008 -4.694 7.786 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.792 -6.037 8.594 1.00 0.00 H new ATOM 0 HD1 PHE A 152 8.256 -6.055 8.938 1.00 0.00 H new ATOM 0 HD2 PHE A 152 6.264 -2.761 7.009 1.00 0.00 H new ATOM 0 HE1 PHE A 152 10.285 -4.649 9.235 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.261 -1.336 7.379 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.291 -2.294 8.446 1.00 0.00 H new ATOM 767 N GLY A 153 5.466 -4.418 4.822 1.00 0.00 N ATOM 768 CA GLY A 153 5.775 -3.458 3.770 1.00 0.00 C ATOM 769 C GLY A 153 4.749 -2.332 3.660 1.00 0.00 C ATOM 770 O GLY A 153 3.895 -2.158 4.530 1.00 0.00 O ATOM 0 H GLY A 153 4.525 -4.308 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.758 -3.027 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.834 -3.981 2.816 1.00 0.00 H new ATOM 774 N PHE A 154 4.838 -1.582 2.565 1.00 0.00 N ATOM 775 CA PHE A 154 3.981 -0.446 2.232 1.00 0.00 C ATOM 776 C PHE A 154 3.269 -0.567 0.881 1.00 0.00 C ATOM 777 O PHE A 154 3.812 -1.160 -0.053 1.00 0.00 O ATOM 778 CB PHE A 154 4.779 0.858 2.329 1.00 0.00 C ATOM 779 CG PHE A 154 5.240 1.176 3.735 1.00 0.00 C ATOM 780 CD1 PHE A 154 6.517 0.765 4.160 1.00 0.00 C ATOM 781 CD2 PHE A 154 4.378 1.829 4.634 1.00 0.00 C ATOM 782 CE1 PHE A 154 6.931 1.002 5.480 1.00 0.00 C ATOM 783 CE2 PHE A 154 4.796 2.074 5.951 1.00 0.00 C ATOM 784 CZ PHE A 154 6.071 1.656 6.377 1.00 0.00 C ATOM 0 H PHE A 154 5.544 -1.758 1.850 1.00 0.00 H new ATOM 0 HA PHE A 154 3.179 -0.440 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.649 0.793 1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.165 1.680 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.180 0.266 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 154 3.396 2.141 4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.910 0.682 5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 154 4.138 2.584 6.639 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.388 1.838 7.393 1.00 0.00 H new ATOM 794 N VAL A 155 2.082 0.035 0.767 1.00 0.00 N ATOM 795 CA VAL A 155 1.286 0.117 -0.472 1.00 0.00 C ATOM 796 C VAL A 155 0.721 1.526 -0.663 1.00 0.00 C ATOM 797 O VAL A 155 0.102 2.072 0.252 1.00 0.00 O ATOM 798 CB VAL A 155 0.170 -0.950 -0.526 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.508 -0.992 -1.899 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.675 -2.363 -0.215 1.00 0.00 C ATOM 0 H VAL A 155 1.629 0.495 1.557 1.00 0.00 H new ATOM 0 HA VAL A 155 1.960 -0.096 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.541 -0.648 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.287 -1.755 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.952 -0.020 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.232 -1.231 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.156 -3.066 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.437 -2.645 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 155 1.104 -2.384 0.787 1.00 0.00 H new ATOM 810 N THR A 156 0.935 2.108 -1.845 1.00 0.00 N ATOM 811 CA THR A 156 0.482 3.452 -2.249 1.00 0.00 C ATOM 812 C THR A 156 -0.647 3.446 -3.275 1.00 0.00 C ATOM 813 O THR A 156 -0.577 2.713 -4.257 1.00 0.00 O ATOM 814 CB THR A 156 1.633 4.386 -2.671 1.00 0.00 C ATOM 815 OG1 THR A 156 2.800 4.157 -1.904 1.00 0.00 O ATOM 816 CG2 THR A 156 1.271 5.864 -2.523 1.00 0.00 C ATOM 0 H THR A 156 1.453 1.637 -2.586 1.00 0.00 H new ATOM 0 HA THR A 156 0.056 3.871 -1.337 1.00 0.00 H new ATOM 0 HB THR A 156 1.816 4.157 -3.721 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.510 4.765 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.116 6.478 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.408 6.092 -3.148 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.031 6.077 -1.481 1.00 0.00 H new ATOM 824 N PHE A 157 -1.682 4.258 -3.075 1.00 0.00 N ATOM 825 CA PHE A 157 -2.940 4.232 -3.816 1.00 0.00 C ATOM 826 C PHE A 157 -3.167 5.352 -4.836 1.00 0.00 C ATOM 827 O PHE A 157 -2.561 6.420 -4.754 1.00 0.00 O ATOM 828 CB PHE A 157 -4.101 4.070 -2.824 1.00 0.00 C ATOM 829 CG PHE A 157 -4.161 2.691 -2.195 1.00 0.00 C ATOM 830 CD1 PHE A 157 -5.042 1.717 -2.698 1.00 0.00 C ATOM 831 CD2 PHE A 157 -3.314 2.369 -1.118 1.00 0.00 C ATOM 832 CE1 PHE A 157 -5.093 0.440 -2.110 1.00 0.00 C ATOM 833 CE2 PHE A 157 -3.346 1.085 -0.553 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.241 0.120 -1.041 1.00 0.00 C ATOM 0 H PHE A 157 -1.666 4.985 -2.360 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.882 3.364 -4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -4.005 4.818 -2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -5.041 4.269 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -5.681 1.950 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -2.637 3.113 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -5.790 -0.297 -2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -2.680 0.838 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.274 -0.864 -0.596 1.00 0.00 H new ATOM 844 N GLU A 158 -4.078 5.123 -5.780 1.00 0.00 N ATOM 845 CA GLU A 158 -4.548 6.142 -6.733 1.00 0.00 C ATOM 846 C GLU A 158 -5.393 7.242 -6.061 1.00 0.00 C ATOM 847 O GLU A 158 -5.308 8.409 -6.447 1.00 0.00 O ATOM 848 CB GLU A 158 -5.325 5.434 -7.859 1.00 0.00 C ATOM 849 CG GLU A 158 -5.985 6.346 -8.909 1.00 0.00 C ATOM 850 CD GLU A 158 -5.009 7.175 -9.775 1.00 0.00 C ATOM 851 OE1 GLU A 158 -3.770 7.010 -9.681 1.00 0.00 O ATOM 852 OE2 GLU A 158 -5.494 7.996 -10.592 1.00 0.00 O ATOM 0 H GLU A 158 -4.520 4.213 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.683 6.659 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.642 4.758 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -6.101 4.818 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -6.595 5.729 -9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -6.661 7.031 -8.397 1.00 0.00 H new ATOM 859 N SER A 159 -6.168 6.898 -5.023 1.00 0.00 N ATOM 860 CA SER A 159 -7.022 7.830 -4.270 1.00 0.00 C ATOM 861 C SER A 159 -7.049 7.513 -2.772 1.00 0.00 C ATOM 862 O SER A 159 -7.016 6.347 -2.370 1.00 0.00 O ATOM 863 CB SER A 159 -8.444 7.808 -4.845 1.00 0.00 C ATOM 864 OG SER A 159 -9.294 8.701 -4.143 1.00 0.00 O ATOM 0 H SER A 159 -6.220 5.941 -4.674 1.00 0.00 H new ATOM 0 HA SER A 159 -6.597 8.828 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.417 8.081 -5.900 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.847 6.797 -4.787 1.00 0.00 H new ATOM 0 HG SER A 159 -10.194 8.669 -4.530 1.00 0.00 H new ATOM 870 N GLU A 160 -7.172 8.551 -1.940 1.00 0.00 N ATOM 871 CA GLU A 160 -7.404 8.436 -0.496 1.00 0.00 C ATOM 872 C GLU A 160 -8.704 7.674 -0.186 1.00 0.00 C ATOM 873 O GLU A 160 -8.801 6.970 0.817 1.00 0.00 O ATOM 874 CB GLU A 160 -7.516 9.832 0.145 1.00 0.00 C ATOM 875 CG GLU A 160 -6.299 10.750 -0.020 1.00 0.00 C ATOM 876 CD GLU A 160 -6.239 11.554 -1.336 1.00 0.00 C ATOM 877 OE1 GLU A 160 -5.328 12.405 -1.459 1.00 0.00 O ATOM 878 OE2 GLU A 160 -7.059 11.333 -2.259 1.00 0.00 O ATOM 0 H GLU A 160 -7.112 9.518 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.555 7.889 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -8.385 10.335 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -7.709 9.706 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -6.281 11.452 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -5.397 10.143 0.055 1.00 0.00 H new ATOM 885 N ASP A 161 -9.694 7.768 -1.077 1.00 0.00 N ATOM 886 CA ASP A 161 -10.942 7.001 -0.985 1.00 0.00 C ATOM 887 C ASP A 161 -10.763 5.474 -0.975 1.00 0.00 C ATOM 888 O ASP A 161 -11.474 4.772 -0.252 1.00 0.00 O ATOM 889 CB ASP A 161 -11.954 7.438 -2.059 1.00 0.00 C ATOM 890 CG ASP A 161 -12.618 8.810 -1.822 1.00 0.00 C ATOM 891 OD1 ASP A 161 -12.423 9.444 -0.756 1.00 0.00 O ATOM 892 OD2 ASP A 161 -13.381 9.254 -2.714 1.00 0.00 O ATOM 0 H ASP A 161 -9.653 8.383 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.345 7.244 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.447 7.460 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.736 6.682 -2.127 1.00 0.00 H new ATOM 897 N ILE A 162 -9.774 4.956 -1.719 1.00 0.00 N ATOM 898 CA ILE A 162 -9.408 3.533 -1.650 1.00 0.00 C ATOM 899 C ILE A 162 -8.686 3.228 -0.340 1.00 0.00 C ATOM 900 O ILE A 162 -8.981 2.214 0.283 1.00 0.00 O ATOM 901 CB ILE A 162 -8.557 3.063 -2.847 1.00 0.00 C ATOM 902 CG1 ILE A 162 -9.099 3.499 -4.217 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.433 1.529 -2.827 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.573 3.161 -4.479 1.00 0.00 C ATOM 0 H ILE A 162 -9.214 5.501 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.343 2.975 -1.692 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.586 3.544 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.968 4.577 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.493 3.033 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.831 1.202 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -7.955 1.215 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.425 1.083 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.856 3.511 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.715 2.082 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.197 3.650 -3.731 1.00 0.00 H new ATOM 916 N VAL A 163 -7.794 4.108 0.129 1.00 0.00 N ATOM 917 CA VAL A 163 -7.096 3.900 1.409 1.00 0.00 C ATOM 918 C VAL A 163 -8.112 3.736 2.543 1.00 0.00 C ATOM 919 O VAL A 163 -7.989 2.807 3.334 1.00 0.00 O ATOM 920 CB VAL A 163 -6.143 5.066 1.740 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.515 4.950 3.134 1.00 0.00 C ATOM 922 CG2 VAL A 163 -5.028 5.141 0.700 1.00 0.00 C ATOM 0 H VAL A 163 -7.537 4.969 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.500 2.993 1.310 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.748 5.973 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.855 5.800 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.302 4.942 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.941 4.026 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.360 5.967 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.466 4.207 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.461 5.302 -0.287 1.00 0.00 H new ATOM 932 N GLU A 164 -9.155 4.571 2.590 1.00 0.00 N ATOM 933 CA GLU A 164 -10.259 4.422 3.552 1.00 0.00 C ATOM 934 C GLU A 164 -11.029 3.100 3.376 1.00 0.00 C ATOM 935 O GLU A 164 -11.222 2.368 4.349 1.00 0.00 O ATOM 936 CB GLU A 164 -11.231 5.613 3.455 1.00 0.00 C ATOM 937 CG GLU A 164 -10.634 6.976 3.852 1.00 0.00 C ATOM 938 CD GLU A 164 -10.199 7.098 5.325 1.00 0.00 C ATOM 939 OE1 GLU A 164 -10.480 6.210 6.163 1.00 0.00 O ATOM 940 OE2 GLU A 164 -9.543 8.108 5.674 1.00 0.00 O ATOM 0 H GLU A 164 -9.260 5.369 1.964 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.805 4.403 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.599 5.679 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -12.093 5.412 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.771 7.175 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.370 7.752 3.642 1.00 0.00 H new ATOM 947 N LYS A 165 -11.416 2.750 2.140 1.00 0.00 N ATOM 948 CA LYS A 165 -12.130 1.502 1.796 1.00 0.00 C ATOM 949 C LYS A 165 -11.381 0.247 2.265 1.00 0.00 C ATOM 950 O LYS A 165 -11.967 -0.641 2.881 1.00 0.00 O ATOM 951 CB LYS A 165 -12.344 1.497 0.272 1.00 0.00 C ATOM 952 CG LYS A 165 -13.099 0.284 -0.288 1.00 0.00 C ATOM 953 CD LYS A 165 -13.243 0.441 -1.810 1.00 0.00 C ATOM 954 CE LYS A 165 -13.993 -0.745 -2.427 1.00 0.00 C ATOM 955 NZ LYS A 165 -14.121 -0.588 -3.901 1.00 0.00 N ATOM 0 H LYS A 165 -11.238 3.340 1.327 1.00 0.00 H new ATOM 0 HA LYS A 165 -13.087 1.475 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.889 2.400 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.370 1.552 -0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.561 -0.635 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.082 0.205 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -13.775 1.366 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -12.255 0.524 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -13.464 -1.671 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -14.983 -0.826 -1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -14.647 -1.395 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -14.631 0.293 -4.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -13.174 -0.552 -4.330 1.00 0.00 H new ATOM 969 N VAL A 166 -10.077 0.205 2.001 1.00 0.00 N ATOM 970 CA VAL A 166 -9.145 -0.866 2.392 1.00 0.00 C ATOM 971 C VAL A 166 -8.907 -0.874 3.909 1.00 0.00 C ATOM 972 O VAL A 166 -8.934 -1.933 4.536 1.00 0.00 O ATOM 973 CB VAL A 166 -7.806 -0.676 1.649 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.765 -1.728 2.030 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.964 -0.737 0.125 1.00 0.00 C ATOM 0 H VAL A 166 -9.612 0.951 1.483 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.587 -1.824 2.119 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.469 0.314 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.844 -1.545 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.564 -1.670 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.144 -2.720 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.992 -0.597 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.370 -1.708 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.643 0.051 -0.202 1.00 0.00 H new ATOM 985 N CYS A 167 -8.681 0.291 4.517 1.00 0.00 N ATOM 986 CA CYS A 167 -8.368 0.417 5.947 1.00 0.00 C ATOM 987 C CYS A 167 -9.556 0.038 6.856 1.00 0.00 C ATOM 988 O CYS A 167 -9.363 -0.603 7.889 1.00 0.00 O ATOM 989 CB CYS A 167 -7.867 1.847 6.207 1.00 0.00 C ATOM 990 SG CYS A 167 -7.372 2.077 7.941 1.00 0.00 S ATOM 0 H CYS A 167 -8.710 1.186 4.028 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.585 -0.297 6.203 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -7.020 2.061 5.555 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -8.652 2.560 5.954 1.00 0.00 H new ATOM 0 HG CYS A 167 -7.920 1.154 8.675 1.00 0.00 H new ATOM 996 N GLU A 168 -10.794 0.352 6.456 1.00 0.00 N ATOM 997 CA GLU A 168 -12.014 -0.035 7.185 1.00 0.00 C ATOM 998 C GLU A 168 -12.257 -1.559 7.247 1.00 0.00 C ATOM 999 O GLU A 168 -12.934 -2.039 8.161 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.237 0.673 6.571 1.00 0.00 C ATOM 1001 CG GLU A 168 -13.332 2.167 6.932 1.00 0.00 C ATOM 1002 CD GLU A 168 -13.727 2.458 8.399 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -14.061 1.527 9.172 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -13.722 3.651 8.791 1.00 0.00 O ATOM 0 H GLU A 168 -10.982 0.888 5.608 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.866 0.285 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.198 0.572 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -14.144 0.169 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -12.369 2.637 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.061 2.639 6.274 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.685 -2.336 6.317 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.702 -3.812 6.356 1.00 0.00 C ATOM 1013 C ILE A 169 -10.777 -4.347 7.466 1.00 0.00 C ATOM 1014 O ILE A 169 -11.108 -5.339 8.118 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.339 -4.380 4.966 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.438 -4.004 3.941 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.145 -5.906 4.983 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -11.999 -4.160 2.484 1.00 0.00 C ATOM 0 H ILE A 169 -11.192 -1.958 5.508 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.709 -4.150 6.601 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.387 -3.936 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.314 -4.628 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.743 -2.971 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.892 -6.252 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.339 -6.163 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -12.067 -6.386 5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.820 -3.879 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.142 -3.515 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.722 -5.197 2.297 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.661 -3.646 7.719 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.662 -3.848 8.790 1.00 0.00 C ATOM 1032 C HIS A 170 -7.835 -5.140 8.686 1.00 0.00 C ATOM 1033 O HIS A 170 -6.603 -5.085 8.694 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.329 -3.669 10.166 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.392 -3.576 11.351 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.777 -3.763 12.683 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -7.055 -3.295 11.320 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.661 -3.608 13.418 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.616 -3.331 12.623 1.00 0.00 N ATOM 0 H HIS A 170 -9.409 -2.853 7.130 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.908 -3.072 8.656 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.938 -2.765 10.138 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -10.008 -4.506 10.330 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.459 -3.086 10.444 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.613 -3.694 14.493 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.657 -3.174 12.933 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.495 -6.289 8.533 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.884 -7.597 8.290 1.00 0.00 C ATOM 1049 C PHE A 171 -8.096 -8.200 6.895 1.00 0.00 C ATOM 1050 O PHE A 171 -9.227 -8.379 6.442 1.00 0.00 O ATOM 1051 CB PHE A 171 -8.088 -8.566 9.459 1.00 0.00 C ATOM 1052 CG PHE A 171 -7.176 -8.286 10.640 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -5.898 -8.874 10.698 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -7.588 -7.414 11.667 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -5.043 -8.607 11.782 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -6.729 -7.141 12.748 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.457 -7.737 12.806 1.00 0.00 C ATOM 0 H PHE A 171 -9.513 -6.336 8.577 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.814 -7.392 8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -9.125 -8.512 9.790 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.917 -9.585 9.111 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -5.573 -9.533 9.906 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -8.564 -6.954 11.625 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -4.068 -9.070 11.828 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -7.048 -6.473 13.534 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.799 -7.527 13.636 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.989 -8.511 6.224 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.886 -8.912 4.816 1.00 0.00 C ATOM 1069 C HIS A 172 -6.183 -10.273 4.692 1.00 0.00 C ATOM 1070 O HIS A 172 -5.647 -10.772 5.680 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.140 -7.793 4.073 1.00 0.00 C ATOM 1072 CG HIS A 172 -6.961 -6.539 3.871 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.689 -6.219 2.719 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.121 -5.531 4.779 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.241 -5.016 2.954 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.911 -4.583 4.177 1.00 0.00 N ATOM 0 H HIS A 172 -6.076 -8.489 6.678 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.872 -9.043 4.370 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.238 -7.539 4.630 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -5.820 -8.167 3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.707 -5.488 5.776 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.862 -4.476 2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.198 -3.697 4.592 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.164 -10.900 3.514 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.577 -12.242 3.338 1.00 0.00 C ATOM 1086 C GLU A 173 -4.840 -12.403 1.997 1.00 0.00 C ATOM 1087 O GLU A 173 -5.431 -12.234 0.930 1.00 0.00 O ATOM 1088 CB GLU A 173 -6.672 -13.304 3.544 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.143 -14.746 3.489 1.00 0.00 C ATOM 1090 CD GLU A 173 -7.234 -15.811 3.744 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -8.406 -15.472 4.039 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -6.913 -17.020 3.649 1.00 0.00 O ATOM 0 H GLU A 173 -6.550 -10.501 2.658 1.00 0.00 H new ATOM 0 HA GLU A 173 -4.806 -12.383 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.152 -13.138 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.439 -13.177 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -5.694 -14.923 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -5.351 -14.863 4.229 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.549 -12.756 2.055 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.621 -12.821 0.911 1.00 0.00 C ATOM 1101 C ILE A 174 -1.798 -14.114 1.008 1.00 0.00 C ATOM 1102 O ILE A 174 -1.240 -14.416 2.063 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.709 -11.564 0.848 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.524 -10.258 1.024 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.908 -11.566 -0.471 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.730 -8.955 0.874 1.00 0.00 C ATOM 0 H ILE A 174 -3.102 -13.015 2.934 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.194 -12.834 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.005 -11.603 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.333 -10.255 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -2.985 -10.269 2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.270 -10.683 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.290 -12.463 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.597 -11.554 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.397 -8.104 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -0.937 -8.924 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.291 -8.909 -0.123 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.745 -14.905 -0.072 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.121 -16.242 -0.103 1.00 0.00 C ATOM 1120 C ASN A 175 -1.585 -17.162 1.055 1.00 0.00 C ATOM 1121 O ASN A 175 -0.789 -17.878 1.669 1.00 0.00 O ATOM 1122 CB ASN A 175 0.410 -16.119 -0.233 1.00 0.00 C ATOM 1123 CG ASN A 175 0.871 -15.479 -1.532 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.316 -15.681 -2.604 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.946 -14.735 -1.473 1.00 0.00 N ATOM 0 H ASN A 175 -2.143 -14.630 -0.970 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.475 -16.755 -0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.789 -15.532 0.604 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.852 -17.112 -0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.326 -14.320 -2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.404 -14.570 -0.576 1.00 0.00 H new ATOM 1132 N ASN A 176 -2.882 -17.099 1.384 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.548 -17.780 2.507 1.00 0.00 C ATOM 1134 C ASN A 176 -3.062 -17.394 3.928 1.00 0.00 C ATOM 1135 O ASN A 176 -3.480 -18.017 4.908 1.00 0.00 O ATOM 1136 CB ASN A 176 -3.607 -19.305 2.258 1.00 0.00 C ATOM 1137 CG ASN A 176 -4.317 -19.708 0.972 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -5.149 -19.000 0.419 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -4.038 -20.889 0.466 1.00 0.00 N ATOM 0 H ASN A 176 -3.537 -16.537 0.840 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.568 -17.395 2.517 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -2.590 -19.696 2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -4.111 -19.779 3.100 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -4.513 -21.207 -0.379 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -3.347 -21.487 0.918 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.219 -16.357 4.073 1.00 0.00 N ATOM 1147 CA LYS A 177 -1.841 -15.743 5.360 1.00 0.00 C ATOM 1148 C LYS A 177 -2.668 -14.477 5.612 1.00 0.00 C ATOM 1149 O LYS A 177 -2.812 -13.642 4.719 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.320 -15.474 5.378 1.00 0.00 C ATOM 1151 CG LYS A 177 0.211 -14.795 6.652 1.00 0.00 C ATOM 1152 CD LYS A 177 -0.047 -15.632 7.917 1.00 0.00 C ATOM 1153 CE LYS A 177 0.661 -15.080 9.159 1.00 0.00 C ATOM 1154 NZ LYS A 177 0.251 -13.690 9.484 1.00 0.00 N ATOM 0 H LYS A 177 -1.768 -15.909 3.275 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.063 -16.429 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.202 -16.422 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.068 -14.850 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 177 1.282 -14.621 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -0.261 -13.819 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -1.120 -15.673 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 177 0.285 -16.655 7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 177 0.447 -15.726 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 177 1.739 -15.108 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 0.252 -13.560 10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 0.918 -13.021 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -0.705 -13.515 9.114 1.00 0.00 H new ATOM 1168 N MET A 178 -3.205 -14.315 6.824 1.00 0.00 N ATOM 1169 CA MET A 178 -3.947 -13.123 7.231 1.00 0.00 C ATOM 1170 C MET A 178 -2.989 -12.009 7.669 1.00 0.00 C ATOM 1171 O MET A 178 -2.013 -12.270 8.379 1.00 0.00 O ATOM 1172 CB MET A 178 -4.995 -13.488 8.294 1.00 0.00 C ATOM 1173 CG MET A 178 -5.697 -12.260 8.890 1.00 0.00 C ATOM 1174 SD MET A 178 -7.379 -12.551 9.503 1.00 0.00 S ATOM 1175 CE MET A 178 -8.272 -12.553 7.921 1.00 0.00 C ATOM 0 H MET A 178 -3.135 -15.019 7.559 1.00 0.00 H new ATOM 0 HA MET A 178 -4.497 -12.725 6.378 1.00 0.00 H new ATOM 0 HB2 MET A 178 -5.741 -14.146 7.849 1.00 0.00 H new ATOM 0 HB3 MET A 178 -4.512 -14.048 9.095 1.00 0.00 H new ATOM 0 HG2 MET A 178 -5.090 -11.877 9.711 1.00 0.00 H new ATOM 0 HG3 MET A 178 -5.735 -11.479 8.130 1.00 0.00 H new ATOM 0 HE1 MET A 178 -9.334 -12.720 8.103 1.00 0.00 H new ATOM 0 HE2 MET A 178 -8.136 -11.592 7.425 1.00 0.00 H new ATOM 0 HE3 MET A 178 -7.883 -13.348 7.285 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.277 -10.779 7.242 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.455 -9.578 7.440 1.00 0.00 C ATOM 1187 C VAL A 179 -3.284 -8.378 7.901 1.00 0.00 C ATOM 1188 O VAL A 179 -4.492 -8.314 7.666 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.643 -9.216 6.177 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.792 -10.392 5.711 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.497 -8.734 4.998 1.00 0.00 C ATOM 0 H VAL A 179 -4.132 -10.580 6.722 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.751 -9.824 8.235 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.011 -8.383 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.232 -10.106 4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.097 -10.674 6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.438 -11.238 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.851 -8.501 4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.199 -9.518 4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.049 -7.841 5.290 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.631 -7.410 8.539 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.263 -6.175 9.032 1.00 0.00 C ATOM 1203 C GLU A 180 -2.890 -4.955 8.170 1.00 0.00 C ATOM 1204 O GLU A 180 -1.702 -4.700 7.952 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.860 -5.937 10.498 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.655 -4.785 11.138 1.00 0.00 C ATOM 1207 CD GLU A 180 -3.276 -4.488 12.605 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -3.890 -3.572 13.203 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -2.366 -5.140 13.169 1.00 0.00 O ATOM 0 H GLU A 180 -1.631 -7.456 8.734 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.344 -6.300 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -3.022 -6.850 11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.794 -5.713 10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.504 -3.882 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.718 -5.023 11.091 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.883 -4.183 7.713 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.660 -2.862 7.113 1.00 0.00 C ATOM 1218 C CYS A 181 -3.718 -1.760 8.189 1.00 0.00 C ATOM 1219 O CYS A 181 -4.584 -1.778 9.070 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.631 -2.587 5.951 1.00 0.00 C ATOM 1221 SG CYS A 181 -6.360 -2.641 6.483 1.00 0.00 S ATOM 0 H CYS A 181 -4.865 -4.457 7.749 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.658 -2.854 6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -4.414 -1.609 5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.471 -3.323 5.163 1.00 0.00 H new ATOM 0 HG CYS A 181 -7.129 -2.289 5.496 1.00 0.00 H new ATOM 1227 N LYS A 182 -2.809 -0.780 8.111 1.00 0.00 N ATOM 1228 CA LYS A 182 -2.755 0.395 9.007 1.00 0.00 C ATOM 1229 C LYS A 182 -2.395 1.641 8.195 1.00 0.00 C ATOM 1230 O LYS A 182 -1.612 1.542 7.252 1.00 0.00 O ATOM 1231 CB LYS A 182 -1.738 0.174 10.154 1.00 0.00 C ATOM 1232 CG LYS A 182 -1.922 -1.155 10.913 1.00 0.00 C ATOM 1233 CD LYS A 182 -1.017 -1.313 12.144 1.00 0.00 C ATOM 1234 CE LYS A 182 0.463 -1.392 11.752 1.00 0.00 C ATOM 1235 NZ LYS A 182 1.334 -1.755 12.896 1.00 0.00 N ATOM 0 H LYS A 182 -2.070 -0.777 7.408 1.00 0.00 H new ATOM 0 HA LYS A 182 -3.736 0.536 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -0.729 0.208 9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -1.821 0.999 10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -2.962 -1.238 11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -1.730 -1.980 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -1.170 -0.471 12.819 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -1.298 -2.214 12.689 1.00 0.00 H new ATOM 0 HE2 LYS A 182 0.586 -2.128 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.781 -0.431 11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 2.324 -1.795 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 1.239 -1.040 13.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.051 -2.685 13.267 1.00 0.00 H new ATOM 1249 N LYS A 183 -2.911 2.822 8.549 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.481 4.088 7.920 1.00 0.00 C ATOM 1251 C LYS A 183 -0.998 4.354 8.193 1.00 0.00 C ATOM 1252 O LYS A 183 -0.557 4.286 9.346 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.378 5.256 8.363 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.711 5.248 7.598 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.668 6.311 8.151 1.00 0.00 C ATOM 1256 CE LYS A 183 -6.926 6.390 7.280 1.00 0.00 C ATOM 1257 NZ LYS A 183 -7.878 7.408 7.790 1.00 0.00 N ATOM 0 H LYS A 183 -3.627 2.934 9.267 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.595 3.995 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.569 5.187 9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.862 6.201 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.528 5.433 6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.172 4.263 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.942 6.067 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.172 7.281 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -6.646 6.634 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.413 5.415 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -8.456 7.768 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -8.497 6.977 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -7.349 8.194 8.219 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.223 4.619 7.140 1.00 0.00 N ATOM 1272 CA ALA A 184 1.229 4.733 7.247 1.00 0.00 C ATOM 1273 C ALA A 184 1.653 6.023 7.973 1.00 0.00 C ATOM 1274 O ALA A 184 1.278 7.127 7.572 1.00 0.00 O ATOM 1275 CB ALA A 184 1.857 4.633 5.856 1.00 0.00 C ATOM 0 H ALA A 184 -0.583 4.759 6.196 1.00 0.00 H new ATOM 0 HA ALA A 184 1.596 3.907 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.940 4.718 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.602 3.672 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.477 5.437 5.226 1.00 0.00 H new