USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 310 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 161 CYS SG : rot 158:sc= -0.644 USER MOD Set 1.2: A 164 CYS SG : rot 180:sc= -2.66 USER MOD Set 1.3: A 166 SER OG : rot 140:sc=-0.00975 USER MOD Set 1.4: A 169 HIS : no HE2:sc= -2.41! K(o=-5.5!,f=-7.2) USER MOD Set 1.5: A 174 CYS SG : rot 71:sc= 0.247 USER MOD Set 2.1: A 141 ASN : amide:sc= -0.947 K(o=-2.6,f=-3.7!) USER MOD Set 2.2: A 157 GLN : amide:sc= -1.66 K(o=-2.6,f=-10!) USER MOD Set 3.1: A 140 TYR OH : rot -178:sc= -1.03 USER MOD Set 3.2: A 162 HIS : no HE2:sc= -3.45! C(o=-4.5!,f=-5.2!) USER MOD Set 4.1: A 139 CYS SG : rot 131:sc= -2.19 USER MOD Set 4.2: A 142 CYS SG : rot -51:sc= -0.702! USER MOD Set 4.3: A 147 HIS : no HE2:sc= -1.54 K(o=-4,f=-5.3) USER MOD Set 4.4: A 152 CYS SG : rot 85:sc= 0.479 USER MOD Single : A 148 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ -156:sc= -0.0905 (180deg=-0.525) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.77) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl -175:sc= 0 (180deg=-0.0222) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -14.073 4.038 -4.082 1.00 0.00 N ATOM 67 CA ASP A 137 -14.796 5.252 -4.442 1.00 0.00 C ATOM 68 C ASP A 137 -13.948 6.490 -4.168 1.00 0.00 C ATOM 69 O ASP A 137 -13.891 7.409 -4.986 1.00 0.00 O ATOM 70 CB ASP A 137 -16.111 5.337 -3.666 1.00 0.00 C ATOM 71 CG ASP A 137 -17.007 4.139 -3.912 1.00 0.00 C ATOM 72 OD1 ASP A 137 -17.003 3.618 -5.047 1.00 0.00 O ATOM 73 OD2 ASP A 137 -17.712 3.722 -2.970 1.00 0.00 O ATOM 0 HA ASP A 137 -15.015 5.212 -5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -15.896 5.414 -2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -16.639 6.247 -3.951 1.00 0.00 H new ATOM 78 N ARG A 138 -13.293 6.509 -3.012 1.00 0.00 N ATOM 79 CA ARG A 138 -12.450 7.635 -2.630 1.00 0.00 C ATOM 80 C ARG A 138 -11.163 7.152 -1.969 1.00 0.00 C ATOM 81 O ARG A 138 -10.988 5.957 -1.724 1.00 0.00 O ATOM 82 CB ARG A 138 -13.206 8.565 -1.679 1.00 0.00 C ATOM 83 CG ARG A 138 -13.734 7.867 -0.436 1.00 0.00 C ATOM 84 CD ARG A 138 -13.790 8.814 0.752 1.00 0.00 C ATOM 85 NE ARG A 138 -15.074 9.505 0.842 1.00 0.00 N ATOM 86 CZ ARG A 138 -15.301 10.533 1.651 1.00 0.00 C ATOM 87 NH1 ARG A 138 -14.335 10.989 2.436 1.00 0.00 N ATOM 88 NH2 ARG A 138 -16.496 11.109 1.675 1.00 0.00 N ATOM 0 H ARG A 138 -13.330 5.757 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 138 -12.189 8.184 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -12.545 9.377 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.041 9.017 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -14.730 7.471 -0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -13.095 7.017 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -13.615 8.254 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -12.989 9.548 0.668 1.00 0.00 H new ATOM 0 HE ARG A 138 -15.839 9.180 0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -13.414 10.550 2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -14.512 11.779 3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -17.242 10.762 1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -16.669 11.899 2.297 1.00 0.00 H new ATOM 102 N CYS A 139 -10.263 8.087 -1.682 1.00 0.00 N ATOM 103 CA CYS A 139 -8.992 7.758 -1.050 1.00 0.00 C ATOM 104 C CYS A 139 -9.212 6.960 0.232 1.00 0.00 C ATOM 105 O CYS A 139 -9.828 7.447 1.180 1.00 0.00 O ATOM 106 CB CYS A 139 -8.206 9.033 -0.742 1.00 0.00 C ATOM 107 SG CYS A 139 -6.800 8.786 0.390 1.00 0.00 S ATOM 0 H CYS A 139 -10.391 9.080 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 139 -8.418 7.145 -1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -7.836 9.454 -1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -8.883 9.768 -0.308 1.00 0.00 H new ATOM 0 HG CYS A 139 -5.737 9.343 -0.110 1.00 0.00 H new ATOM 112 N TYR A 140 -8.703 5.734 0.254 1.00 0.00 N ATOM 113 CA TYR A 140 -8.845 4.868 1.419 1.00 0.00 C ATOM 114 C TYR A 140 -7.720 5.111 2.419 1.00 0.00 C ATOM 115 O TYR A 140 -7.216 4.178 3.043 1.00 0.00 O ATOM 116 CB TYR A 140 -8.853 3.399 0.991 1.00 0.00 C ATOM 117 CG TYR A 140 -7.475 2.839 0.724 1.00 0.00 C ATOM 118 CD1 TYR A 140 -6.761 3.206 -0.411 1.00 0.00 C ATOM 119 CD2 TYR A 140 -6.885 1.942 1.606 1.00 0.00 C ATOM 120 CE1 TYR A 140 -5.502 2.696 -0.659 1.00 0.00 C ATOM 121 CE2 TYR A 140 -5.626 1.428 1.367 1.00 0.00 C ATOM 122 CZ TYR A 140 -4.938 1.807 0.233 1.00 0.00 C ATOM 123 OH TYR A 140 -3.683 1.298 -0.010 1.00 0.00 O ATOM 0 H TYR A 140 -8.188 5.317 -0.521 1.00 0.00 H new ATOM 0 HA TYR A 140 -9.793 5.104 1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -9.333 2.805 1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -9.459 3.295 0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -7.199 3.902 -1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -7.421 1.641 2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -4.962 2.991 -1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -5.182 0.733 2.064 1.00 0.00 H new ATOM 0 HH TYR A 140 -3.445 0.663 0.698 1.00 0.00 H new ATOM 133 N ASN A 141 -7.331 6.373 2.567 1.00 0.00 N ATOM 134 CA ASN A 141 -6.265 6.742 3.492 1.00 0.00 C ATOM 135 C ASN A 141 -6.712 7.869 4.417 1.00 0.00 C ATOM 136 O ASN A 141 -6.643 7.748 5.640 1.00 0.00 O ATOM 137 CB ASN A 141 -5.015 7.167 2.718 1.00 0.00 C ATOM 138 CG ASN A 141 -3.778 7.209 3.595 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.860 7.499 4.789 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.625 6.918 3.006 1.00 0.00 N ATOM 0 H ASN A 141 -7.738 7.158 2.058 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.028 5.870 4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -4.849 6.474 1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.180 8.151 2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.760 6.929 3.546 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.604 6.683 2.014 1.00 0.00 H new ATOM 147 N CYS A 142 -7.173 8.966 3.824 1.00 0.00 N ATOM 148 CA CYS A 142 -7.632 10.116 4.594 1.00 0.00 C ATOM 149 C CYS A 142 -9.129 10.340 4.395 1.00 0.00 C ATOM 150 O CYS A 142 -9.869 10.544 5.356 1.00 0.00 O ATOM 151 CB CYS A 142 -6.859 11.371 4.185 1.00 0.00 C ATOM 152 SG CYS A 142 -7.258 11.980 2.516 1.00 0.00 S ATOM 0 H CYS A 142 -7.238 9.082 2.813 1.00 0.00 H new ATOM 0 HA CYS A 142 -7.449 9.913 5.649 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -7.063 12.162 4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.791 11.160 4.237 1.00 0.00 H new ATOM 0 HG CYS A 142 -7.169 11.002 1.664 1.00 0.00 H new ATOM 157 N GLY A 143 -9.566 10.299 3.140 1.00 0.00 N ATOM 158 CA GLY A 143 -10.972 10.499 2.838 1.00 0.00 C ATOM 159 C GLY A 143 -11.201 11.654 1.883 1.00 0.00 C ATOM 160 O GLY A 143 -12.136 12.435 2.055 1.00 0.00 O ATOM 0 H GLY A 143 -8.972 10.131 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.381 9.586 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.517 10.684 3.764 1.00 0.00 H new ATOM 164 N GLY A 144 -10.342 11.765 0.874 1.00 0.00 N ATOM 165 CA GLY A 144 -10.471 12.837 -0.096 1.00 0.00 C ATOM 166 C GLY A 144 -11.320 12.442 -1.288 1.00 0.00 C ATOM 167 O GLY A 144 -11.259 11.302 -1.752 1.00 0.00 O ATOM 0 H GLY A 144 -9.559 11.132 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.912 13.709 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.480 13.131 -0.441 1.00 0.00 H new ATOM 171 N LEU A 145 -12.114 13.383 -1.785 1.00 0.00 N ATOM 172 CA LEU A 145 -12.981 13.127 -2.930 1.00 0.00 C ATOM 173 C LEU A 145 -12.350 13.647 -4.218 1.00 0.00 C ATOM 174 O LEU A 145 -12.362 12.968 -5.245 1.00 0.00 O ATOM 175 CB LEU A 145 -14.347 13.782 -2.718 1.00 0.00 C ATOM 176 CG LEU A 145 -15.109 13.353 -1.464 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.222 14.341 -1.151 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.673 11.950 -1.636 1.00 0.00 C ATOM 0 H LEU A 145 -12.176 14.331 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.112 12.049 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.208 14.863 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -14.969 13.569 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.413 13.343 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -16.753 14.019 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -15.795 15.330 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -16.917 14.384 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -16.212 11.661 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.354 11.934 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.857 11.249 -1.811 1.00 0.00 H new ATOM 190 N ASP A 146 -11.797 14.853 -4.154 1.00 0.00 N ATOM 191 CA ASP A 146 -11.158 15.463 -5.315 1.00 0.00 C ATOM 192 C ASP A 146 -9.939 14.656 -5.750 1.00 0.00 C ATOM 193 O ASP A 146 -9.801 14.304 -6.922 1.00 0.00 O ATOM 194 CB ASP A 146 -10.746 16.902 -4.999 1.00 0.00 C ATOM 195 CG ASP A 146 -9.937 17.005 -3.720 1.00 0.00 C ATOM 196 OD1 ASP A 146 -8.695 16.899 -3.793 1.00 0.00 O ATOM 197 OD2 ASP A 146 -10.547 17.193 -2.647 1.00 0.00 O ATOM 0 H ASP A 146 -11.778 15.428 -3.311 1.00 0.00 H new ATOM 0 HA ASP A 146 -11.878 15.471 -6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.161 17.300 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.638 17.522 -4.912 1.00 0.00 H new ATOM 202 N HIS A 147 -9.057 14.366 -4.799 1.00 0.00 N ATOM 203 CA HIS A 147 -7.849 13.600 -5.085 1.00 0.00 C ATOM 204 C HIS A 147 -8.067 12.116 -4.803 1.00 0.00 C ATOM 205 O HIS A 147 -8.932 11.745 -4.009 1.00 0.00 O ATOM 206 CB HIS A 147 -6.679 14.123 -4.252 1.00 0.00 C ATOM 207 CG HIS A 147 -6.694 13.645 -2.832 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.166 14.409 -1.786 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.293 12.472 -2.288 1.00 0.00 C ATOM 210 CE1 HIS A 147 -7.052 13.728 -0.660 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.526 12.549 -0.937 1.00 0.00 N ATOM 0 H HIS A 147 -9.156 14.650 -3.824 1.00 0.00 H new ATOM 0 HA HIS A 147 -7.614 13.720 -6.143 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -5.744 13.816 -4.720 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -6.696 15.213 -4.260 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.544 15.353 -1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -5.869 11.632 -2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -7.340 14.076 0.321 1.00 0.00 H new ATOM 219 N HIS A 148 -7.277 11.272 -5.459 1.00 0.00 N ATOM 220 CA HIS A 148 -7.383 9.828 -5.278 1.00 0.00 C ATOM 221 C HIS A 148 -6.293 9.316 -4.342 1.00 0.00 C ATOM 222 O HIS A 148 -5.237 9.932 -4.208 1.00 0.00 O ATOM 223 CB HIS A 148 -7.289 9.116 -6.628 1.00 0.00 C ATOM 224 CG HIS A 148 -8.072 9.786 -7.715 1.00 0.00 C ATOM 225 ND1 HIS A 148 -9.446 9.720 -7.803 1.00 0.00 N ATOM 226 CD2 HIS A 148 -7.665 10.541 -8.762 1.00 0.00 C ATOM 227 CE1 HIS A 148 -9.851 10.403 -8.859 1.00 0.00 C ATOM 228 NE2 HIS A 148 -8.789 10.912 -9.458 1.00 0.00 N ATOM 0 H HIS A 148 -6.557 11.563 -6.120 1.00 0.00 H new ATOM 0 HA HIS A 148 -8.353 9.613 -4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -6.242 9.060 -6.927 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -7.644 8.092 -6.515 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -6.646 10.803 -9.005 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -10.876 10.525 -9.178 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -8.802 11.487 -10.300 1.00 0.00 H new ATOM 236 N ALA A 149 -6.559 8.185 -3.696 1.00 0.00 N ATOM 237 CA ALA A 149 -5.600 7.589 -2.773 1.00 0.00 C ATOM 238 C ALA A 149 -4.178 7.702 -3.311 1.00 0.00 C ATOM 239 O ALA A 149 -3.236 7.951 -2.558 1.00 0.00 O ATOM 240 CB ALA A 149 -5.954 6.133 -2.512 1.00 0.00 C ATOM 0 H ALA A 149 -7.430 7.663 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 149 -5.649 8.137 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.230 5.701 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -6.951 6.074 -2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.935 5.580 -3.451 1.00 0.00 H new ATOM 246 N LYS A 150 -4.028 7.517 -4.618 1.00 0.00 N ATOM 247 CA LYS A 150 -2.720 7.598 -5.258 1.00 0.00 C ATOM 248 C LYS A 150 -2.184 9.025 -5.220 1.00 0.00 C ATOM 249 O LYS A 150 -1.122 9.283 -4.654 1.00 0.00 O ATOM 250 CB LYS A 150 -2.808 7.113 -6.707 1.00 0.00 C ATOM 251 CG LYS A 150 -1.460 7.024 -7.401 1.00 0.00 C ATOM 252 CD LYS A 150 -1.603 6.561 -8.841 1.00 0.00 C ATOM 253 CE LYS A 150 -0.315 6.764 -9.623 1.00 0.00 C ATOM 254 NZ LYS A 150 0.652 5.653 -9.397 1.00 0.00 N ATOM 0 H LYS A 150 -4.797 7.310 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 150 -2.033 6.956 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.282 6.132 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -3.453 7.789 -7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -0.973 7.999 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -0.815 6.333 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -1.879 5.507 -8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -2.412 7.110 -9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -0.543 6.836 -10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 150 0.143 7.709 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 1.517 5.828 -9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 0.890 5.600 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 0.225 4.754 -9.700 1.00 0.00 H new ATOM 268 N GLU A 151 -2.926 9.948 -5.824 1.00 0.00 N ATOM 269 CA GLU A 151 -2.523 11.349 -5.858 1.00 0.00 C ATOM 270 C GLU A 151 -2.219 11.862 -4.453 1.00 0.00 C ATOM 271 O GLU A 151 -1.275 12.626 -4.250 1.00 0.00 O ATOM 272 CB GLU A 151 -3.620 12.203 -6.498 1.00 0.00 C ATOM 273 CG GLU A 151 -4.003 11.752 -7.897 1.00 0.00 C ATOM 274 CD GLU A 151 -2.990 12.176 -8.944 1.00 0.00 C ATOM 275 OE1 GLU A 151 -1.822 12.419 -8.576 1.00 0.00 O ATOM 276 OE2 GLU A 151 -3.367 12.263 -10.132 1.00 0.00 O ATOM 0 H GLU A 151 -3.809 9.751 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 151 -1.616 11.425 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -4.505 12.179 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.285 13.239 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -4.102 10.667 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -4.979 12.164 -8.153 1.00 0.00 H new ATOM 283 N CYS A 152 -3.025 11.436 -3.487 1.00 0.00 N ATOM 284 CA CYS A 152 -2.845 11.851 -2.101 1.00 0.00 C ATOM 285 C CYS A 152 -1.365 12.039 -1.778 1.00 0.00 C ATOM 286 O CYS A 152 -0.503 11.376 -2.354 1.00 0.00 O ATOM 287 CB CYS A 152 -3.458 10.818 -1.153 1.00 0.00 C ATOM 288 SG CYS A 152 -3.823 11.461 0.511 1.00 0.00 S ATOM 0 H CYS A 152 -3.810 10.803 -3.639 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.353 12.806 -1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.379 10.438 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -2.775 9.973 -1.063 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.993 12.027 0.510 1.00 0.00 H new ATOM 293 N LYS A 153 -1.079 12.947 -0.851 1.00 0.00 N ATOM 294 CA LYS A 153 0.296 13.223 -0.449 1.00 0.00 C ATOM 295 C LYS A 153 0.636 12.502 0.852 1.00 0.00 C ATOM 296 O LYS A 153 1.719 11.932 0.992 1.00 0.00 O ATOM 297 CB LYS A 153 0.507 14.729 -0.280 1.00 0.00 C ATOM 298 CG LYS A 153 0.283 15.521 -1.557 1.00 0.00 C ATOM 299 CD LYS A 153 0.172 17.010 -1.277 1.00 0.00 C ATOM 300 CE LYS A 153 -1.221 17.384 -0.792 1.00 0.00 C ATOM 301 NZ LYS A 153 -2.253 17.157 -1.841 1.00 0.00 N ATOM 0 H LYS A 153 -1.781 13.504 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 153 0.959 12.856 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -0.170 15.098 0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.522 14.908 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 153 1.107 15.340 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.626 15.173 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 153 0.909 17.296 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 153 0.406 17.570 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -1.467 16.797 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.232 18.432 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.074 17.768 -1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -1.855 17.383 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.552 16.161 -1.824 1.00 0.00 H new ATOM 315 N LEU A 154 -0.294 12.531 1.800 1.00 0.00 N ATOM 316 CA LEU A 154 -0.093 11.879 3.089 1.00 0.00 C ATOM 317 C LEU A 154 0.656 10.561 2.922 1.00 0.00 C ATOM 318 O LEU A 154 0.607 9.920 1.872 1.00 0.00 O ATOM 319 CB LEU A 154 -1.438 11.632 3.773 1.00 0.00 C ATOM 320 CG LEU A 154 -2.238 12.879 4.152 1.00 0.00 C ATOM 321 CD1 LEU A 154 -3.608 12.492 4.688 1.00 0.00 C ATOM 322 CD2 LEU A 154 -1.478 13.709 5.176 1.00 0.00 C ATOM 0 H LEU A 154 -1.195 12.999 1.700 1.00 0.00 H new ATOM 0 HA LEU A 154 0.508 12.540 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -2.051 11.018 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -1.261 11.049 4.677 1.00 0.00 H new ATOM 0 HG LEU A 154 -2.379 13.483 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -4.163 13.392 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.155 11.940 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -3.489 11.866 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -2.062 14.592 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -1.306 13.113 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -0.520 14.017 4.756 1.00 0.00 H new ATOM 334 N PRO A 155 1.364 10.144 3.982 1.00 0.00 N ATOM 335 CA PRO A 155 2.134 8.896 3.978 1.00 0.00 C ATOM 336 C PRO A 155 1.238 7.662 3.967 1.00 0.00 C ATOM 337 O PRO A 155 0.231 7.590 4.671 1.00 0.00 O ATOM 338 CB PRO A 155 2.931 8.967 5.283 1.00 0.00 C ATOM 339 CG PRO A 155 2.126 9.853 6.171 1.00 0.00 C ATOM 340 CD PRO A 155 1.467 10.857 5.266 1.00 0.00 C ATOM 0 HA PRO A 155 2.756 8.803 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.060 7.978 5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 155 3.928 9.374 5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.383 9.279 6.725 1.00 0.00 H new ATOM 0 HG3 PRO A 155 2.760 10.348 6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 155 0.487 11.153 5.641 1.00 0.00 H new ATOM 0 HD3 PRO A 155 2.061 11.766 5.174 1.00 0.00 H new ATOM 348 N PRO A 156 1.612 6.666 3.150 1.00 0.00 N ATOM 349 CA PRO A 156 0.856 5.416 3.029 1.00 0.00 C ATOM 350 C PRO A 156 0.954 4.555 4.284 1.00 0.00 C ATOM 351 O PRO A 156 2.047 4.300 4.787 1.00 0.00 O ATOM 352 CB PRO A 156 1.522 4.712 1.844 1.00 0.00 C ATOM 353 CG PRO A 156 2.907 5.260 1.808 1.00 0.00 C ATOM 354 CD PRO A 156 2.802 6.683 2.282 1.00 0.00 C ATOM 0 HA PRO A 156 -0.210 5.596 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 156 1.528 3.630 1.978 1.00 0.00 H new ATOM 0 HB3 PRO A 156 0.992 4.915 0.914 1.00 0.00 H new ATOM 0 HG2 PRO A 156 3.572 4.683 2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 156 3.319 5.214 0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 156 3.693 6.992 2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 156 2.682 7.376 1.449 1.00 0.00 H new ATOM 362 N GLN A 157 -0.195 4.111 4.782 1.00 0.00 N ATOM 363 CA GLN A 157 -0.237 3.279 5.979 1.00 0.00 C ATOM 364 C GLN A 157 0.256 1.868 5.678 1.00 0.00 C ATOM 365 O GLN A 157 0.244 1.410 4.535 1.00 0.00 O ATOM 366 CB GLN A 157 -1.660 3.226 6.539 1.00 0.00 C ATOM 367 CG GLN A 157 -2.040 4.454 7.351 1.00 0.00 C ATOM 368 CD GLN A 157 -1.575 5.745 6.708 1.00 0.00 C ATOM 369 OE1 GLN A 157 -1.874 6.016 5.545 1.00 0.00 O ATOM 370 NE2 GLN A 157 -0.840 6.553 7.464 1.00 0.00 N ATOM 0 H GLN A 157 -1.109 4.313 4.376 1.00 0.00 H new ATOM 0 HA GLN A 157 0.423 3.724 6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.363 3.115 5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.762 2.340 7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -3.123 4.483 7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -1.608 4.373 8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -0.615 6.289 8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -0.500 7.437 7.085 1.00 0.00 H new ATOM 379 N PRO A 158 0.702 1.160 6.727 1.00 0.00 N ATOM 380 CA PRO A 158 1.208 -0.210 6.600 1.00 0.00 C ATOM 381 C PRO A 158 0.103 -1.208 6.271 1.00 0.00 C ATOM 382 O PRO A 158 0.318 -2.420 6.299 1.00 0.00 O ATOM 383 CB PRO A 158 1.797 -0.500 7.982 1.00 0.00 C ATOM 384 CG PRO A 158 1.054 0.401 8.907 1.00 0.00 C ATOM 385 CD PRO A 158 0.746 1.643 8.117 1.00 0.00 C ATOM 0 HA PRO A 158 1.927 -0.305 5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 158 1.665 -1.546 8.257 1.00 0.00 H new ATOM 0 HB3 PRO A 158 2.868 -0.297 8.007 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.139 -0.073 9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 158 1.653 0.637 9.787 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.203 2.086 8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.512 2.406 8.253 1.00 0.00 H new ATOM 393 N LYS A 159 -1.080 -0.692 5.959 1.00 0.00 N ATOM 394 CA LYS A 159 -2.220 -1.537 5.623 1.00 0.00 C ATOM 395 C LYS A 159 -1.809 -2.647 4.660 1.00 0.00 C ATOM 396 O LYS A 159 -0.694 -2.648 4.138 1.00 0.00 O ATOM 397 CB LYS A 159 -3.339 -0.697 5.002 1.00 0.00 C ATOM 398 CG LYS A 159 -3.809 0.442 5.890 1.00 0.00 C ATOM 399 CD LYS A 159 -4.766 -0.048 6.964 1.00 0.00 C ATOM 400 CE LYS A 159 -6.177 -0.210 6.420 1.00 0.00 C ATOM 401 NZ LYS A 159 -7.195 -0.207 7.507 1.00 0.00 N ATOM 0 H LYS A 159 -1.275 0.309 5.932 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.585 -1.994 6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -2.991 -0.287 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.186 -1.345 4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -2.948 0.919 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -4.301 1.200 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -4.415 -1.002 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.774 0.657 7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -6.391 0.598 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -6.246 -1.143 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -8.143 -0.320 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -7.006 -0.993 8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -7.147 0.694 8.025 1.00 0.00 H new ATOM 415 N LYS A 160 -2.717 -3.589 4.429 1.00 0.00 N ATOM 416 CA LYS A 160 -2.451 -4.703 3.527 1.00 0.00 C ATOM 417 C LYS A 160 -2.189 -4.205 2.109 1.00 0.00 C ATOM 418 O LYS A 160 -2.629 -3.119 1.730 1.00 0.00 O ATOM 419 CB LYS A 160 -3.629 -5.679 3.527 1.00 0.00 C ATOM 420 CG LYS A 160 -4.920 -5.073 3.002 1.00 0.00 C ATOM 421 CD LYS A 160 -5.889 -6.146 2.532 1.00 0.00 C ATOM 422 CE LYS A 160 -6.466 -6.927 3.702 1.00 0.00 C ATOM 423 NZ LYS A 160 -7.541 -6.169 4.399 1.00 0.00 N ATOM 0 H LYS A 160 -3.644 -3.603 4.854 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.559 -5.220 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -3.371 -6.547 2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -3.793 -6.038 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -5.388 -4.477 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -4.696 -4.397 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -6.699 -5.684 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -5.377 -6.829 1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -6.865 -7.876 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -5.671 -7.162 4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -7.908 -6.735 5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -7.155 -5.275 4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -8.312 -5.967 3.731 1.00 0.00 H new ATOM 437 N CYS A 161 -1.471 -5.006 1.328 1.00 0.00 N ATOM 438 CA CYS A 161 -1.152 -4.648 -0.048 1.00 0.00 C ATOM 439 C CYS A 161 -2.409 -4.232 -0.808 1.00 0.00 C ATOM 440 O CYS A 161 -3.374 -4.992 -0.896 1.00 0.00 O ATOM 441 CB CYS A 161 -0.478 -5.822 -0.760 1.00 0.00 C ATOM 442 SG CYS A 161 -0.212 -5.559 -2.543 1.00 0.00 S ATOM 0 H CYS A 161 -1.099 -5.908 1.626 1.00 0.00 H new ATOM 0 HA CYS A 161 -0.465 -3.802 -0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 161 0.484 -6.017 -0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -1.088 -6.715 -0.623 1.00 0.00 H new ATOM 0 HG CYS A 161 0.732 -6.348 -2.962 1.00 0.00 H new ATOM 447 N HIS A 162 -2.389 -3.021 -1.356 1.00 0.00 N ATOM 448 CA HIS A 162 -3.526 -2.504 -2.109 1.00 0.00 C ATOM 449 C HIS A 162 -3.408 -2.865 -3.586 1.00 0.00 C ATOM 450 O HIS A 162 -3.861 -2.120 -4.456 1.00 0.00 O ATOM 451 CB HIS A 162 -3.623 -0.987 -1.949 1.00 0.00 C ATOM 452 CG HIS A 162 -2.678 -0.230 -2.829 1.00 0.00 C ATOM 453 ND1 HIS A 162 -3.098 0.626 -3.825 1.00 0.00 N ATOM 454 CD2 HIS A 162 -1.325 -0.202 -2.858 1.00 0.00 C ATOM 455 CE1 HIS A 162 -2.045 1.146 -4.430 1.00 0.00 C ATOM 456 NE2 HIS A 162 -0.956 0.660 -3.861 1.00 0.00 N ATOM 0 H HIS A 162 -1.598 -2.380 -1.293 1.00 0.00 H new ATOM 0 HA HIS A 162 -4.432 -2.962 -1.712 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -4.643 -0.671 -2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -3.426 -0.726 -0.909 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -4.070 0.827 -4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -0.659 -0.755 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -2.070 1.849 -5.250 1.00 0.00 H new ATOM 464 N PHE A 163 -2.796 -4.012 -3.864 1.00 0.00 N ATOM 465 CA PHE A 163 -2.617 -4.471 -5.236 1.00 0.00 C ATOM 466 C PHE A 163 -3.198 -5.869 -5.422 1.00 0.00 C ATOM 467 O PHE A 163 -3.996 -6.107 -6.329 1.00 0.00 O ATOM 468 CB PHE A 163 -1.133 -4.469 -5.607 1.00 0.00 C ATOM 469 CG PHE A 163 -0.885 -4.576 -7.085 1.00 0.00 C ATOM 470 CD1 PHE A 163 -1.040 -5.787 -7.741 1.00 0.00 C ATOM 471 CD2 PHE A 163 -0.496 -3.466 -7.818 1.00 0.00 C ATOM 472 CE1 PHE A 163 -0.812 -5.888 -9.100 1.00 0.00 C ATOM 473 CE2 PHE A 163 -0.266 -3.562 -9.177 1.00 0.00 C ATOM 474 CZ PHE A 163 -0.425 -4.774 -9.820 1.00 0.00 C ATOM 0 H PHE A 163 -2.416 -4.641 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 163 -3.150 -3.785 -5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -0.675 -3.553 -5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -0.639 -5.300 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -1.342 -6.661 -7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -0.371 -2.515 -7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -0.936 -6.838 -9.599 1.00 0.00 H new ATOM 0 HE2 PHE A 163 0.038 -2.690 -9.736 1.00 0.00 H new ATOM 0 HZ PHE A 163 -0.247 -4.851 -10.883 1.00 0.00 H new ATOM 484 N CYS A 164 -2.791 -6.792 -4.557 1.00 0.00 N ATOM 485 CA CYS A 164 -3.269 -8.168 -4.624 1.00 0.00 C ATOM 486 C CYS A 164 -3.787 -8.631 -3.266 1.00 0.00 C ATOM 487 O CYS A 164 -3.848 -9.829 -2.990 1.00 0.00 O ATOM 488 CB CYS A 164 -2.148 -9.096 -5.098 1.00 0.00 C ATOM 489 SG CYS A 164 -0.780 -9.278 -3.909 1.00 0.00 S ATOM 0 H CYS A 164 -2.131 -6.612 -3.801 1.00 0.00 H new ATOM 0 HA CYS A 164 -4.091 -8.207 -5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -2.569 -10.080 -5.305 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -1.749 -8.716 -6.039 1.00 0.00 H new ATOM 0 HG CYS A 164 0.117 -10.082 -4.399 1.00 0.00 H new ATOM 494 N GLN A 165 -4.160 -7.673 -2.423 1.00 0.00 N ATOM 495 CA GLN A 165 -4.673 -7.983 -1.094 1.00 0.00 C ATOM 496 C GLN A 165 -3.829 -9.062 -0.423 1.00 0.00 C ATOM 497 O GLN A 165 -4.358 -9.967 0.222 1.00 0.00 O ATOM 498 CB GLN A 165 -6.130 -8.440 -1.180 1.00 0.00 C ATOM 499 CG GLN A 165 -7.120 -7.294 -1.314 1.00 0.00 C ATOM 500 CD GLN A 165 -6.733 -6.313 -2.404 1.00 0.00 C ATOM 501 OE1 GLN A 165 -7.027 -6.526 -3.580 1.00 0.00 O ATOM 502 NE2 GLN A 165 -6.070 -5.230 -2.017 1.00 0.00 N ATOM 0 H GLN A 165 -4.116 -6.677 -2.637 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.619 -7.077 -0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -6.243 -9.108 -2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -6.374 -9.018 -0.289 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -8.110 -7.697 -1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -7.190 -6.766 -0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -5.847 -5.094 -1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.783 -4.534 -2.706 1.00 0.00 H new ATOM 511 N SER A 166 -2.513 -8.958 -0.578 1.00 0.00 N ATOM 512 CA SER A 166 -1.595 -9.927 0.009 1.00 0.00 C ATOM 513 C SER A 166 -1.140 -9.474 1.393 1.00 0.00 C ATOM 514 O SER A 166 -0.042 -8.939 1.553 1.00 0.00 O ATOM 515 CB SER A 166 -0.381 -10.128 -0.899 1.00 0.00 C ATOM 516 OG SER A 166 0.667 -10.789 -0.212 1.00 0.00 O ATOM 0 H SER A 166 -2.059 -8.212 -1.105 1.00 0.00 H new ATOM 0 HA SER A 166 -2.123 -10.875 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 166 -0.670 -10.710 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.030 -9.162 -1.261 1.00 0.00 H new ATOM 0 HG SER A 166 1.092 -11.439 -0.810 1.00 0.00 H new ATOM 522 N ILE A 167 -1.990 -9.693 2.390 1.00 0.00 N ATOM 523 CA ILE A 167 -1.676 -9.309 3.761 1.00 0.00 C ATOM 524 C ILE A 167 -0.250 -9.706 4.129 1.00 0.00 C ATOM 525 O ILE A 167 0.342 -9.146 5.052 1.00 0.00 O ATOM 526 CB ILE A 167 -2.652 -9.952 4.764 1.00 0.00 C ATOM 527 CG1 ILE A 167 -2.578 -11.478 4.674 1.00 0.00 C ATOM 528 CG2 ILE A 167 -4.071 -9.469 4.506 1.00 0.00 C ATOM 529 CD1 ILE A 167 -3.301 -12.185 5.799 1.00 0.00 C ATOM 0 H ILE A 167 -2.902 -10.135 2.274 1.00 0.00 H new ATOM 0 HA ILE A 167 -1.775 -8.225 3.816 1.00 0.00 H new ATOM 0 HB ILE A 167 -2.365 -9.652 5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.002 -11.799 3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -1.532 -11.784 4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.749 -9.932 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -4.112 -8.385 4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -4.370 -9.743 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -3.207 -13.263 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -2.863 -11.893 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -4.355 -11.909 5.784 1.00 0.00 H new ATOM 541 N SER A 168 0.296 -10.674 3.401 1.00 0.00 N ATOM 542 CA SER A 168 1.652 -11.148 3.652 1.00 0.00 C ATOM 543 C SER A 168 2.674 -10.057 3.346 1.00 0.00 C ATOM 544 O SER A 168 3.324 -9.529 4.249 1.00 0.00 O ATOM 545 CB SER A 168 1.946 -12.389 2.808 1.00 0.00 C ATOM 546 OG SER A 168 3.183 -12.974 3.175 1.00 0.00 O ATOM 0 H SER A 168 -0.180 -11.146 2.632 1.00 0.00 H new ATOM 0 HA SER A 168 1.730 -11.409 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 168 1.144 -13.117 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 168 1.967 -12.118 1.752 1.00 0.00 H new ATOM 0 HG SER A 168 3.347 -13.766 2.622 1.00 0.00 H new ATOM 552 N HIS A 169 2.810 -9.724 2.067 1.00 0.00 N ATOM 553 CA HIS A 169 3.752 -8.696 1.640 1.00 0.00 C ATOM 554 C HIS A 169 3.043 -7.360 1.436 1.00 0.00 C ATOM 555 O HIS A 169 1.824 -7.266 1.576 1.00 0.00 O ATOM 556 CB HIS A 169 4.450 -9.118 0.347 1.00 0.00 C ATOM 557 CG HIS A 169 3.545 -9.125 -0.847 1.00 0.00 C ATOM 558 ND1 HIS A 169 3.338 -10.243 -1.627 1.00 0.00 N ATOM 559 CD2 HIS A 169 2.791 -8.142 -1.392 1.00 0.00 C ATOM 560 CE1 HIS A 169 2.496 -9.946 -2.602 1.00 0.00 C ATOM 561 NE2 HIS A 169 2.149 -8.678 -2.481 1.00 0.00 N ATOM 0 H HIS A 169 2.280 -10.151 1.308 1.00 0.00 H new ATOM 0 HA HIS A 169 4.499 -8.575 2.424 1.00 0.00 H new ATOM 0 HB2 HIS A 169 5.284 -8.442 0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 169 4.871 -10.115 0.480 1.00 0.00 H new ATOM 0 HD1 HIS A 169 3.767 -11.156 -1.476 1.00 0.00 H new ATOM 0 HD2 HIS A 169 2.709 -7.125 -1.037 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.151 -10.625 -3.367 1.00 0.00 H new ATOM 569 N MET A 170 3.815 -6.330 1.107 1.00 0.00 N ATOM 570 CA MET A 170 3.260 -5.000 0.883 1.00 0.00 C ATOM 571 C MET A 170 3.308 -4.632 -0.596 1.00 0.00 C ATOM 572 O MET A 170 3.931 -5.327 -1.399 1.00 0.00 O ATOM 573 CB MET A 170 4.025 -3.960 1.705 1.00 0.00 C ATOM 574 CG MET A 170 3.833 -4.110 3.205 1.00 0.00 C ATOM 575 SD MET A 170 4.088 -2.564 4.096 1.00 0.00 S ATOM 576 CE MET A 170 5.809 -2.238 3.724 1.00 0.00 C ATOM 0 H MET A 170 4.826 -6.390 0.990 1.00 0.00 H new ATOM 0 HA MET A 170 2.218 -5.010 1.202 1.00 0.00 H new ATOM 0 HB2 MET A 170 5.087 -4.036 1.474 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.704 -2.963 1.404 1.00 0.00 H new ATOM 0 HG2 MET A 170 2.826 -4.477 3.403 1.00 0.00 H new ATOM 0 HG3 MET A 170 4.527 -4.861 3.583 1.00 0.00 H new ATOM 0 HE1 MET A 170 6.141 -1.360 4.278 1.00 0.00 H new ATOM 0 HE2 MET A 170 6.413 -3.098 4.012 1.00 0.00 H new ATOM 0 HE3 MET A 170 5.922 -2.057 2.655 1.00 0.00 H new ATOM 586 N VAL A 171 2.646 -3.535 -0.950 1.00 0.00 N ATOM 587 CA VAL A 171 2.615 -3.074 -2.333 1.00 0.00 C ATOM 588 C VAL A 171 3.991 -2.599 -2.786 1.00 0.00 C ATOM 589 O VAL A 171 4.351 -2.732 -3.955 1.00 0.00 O ATOM 590 CB VAL A 171 1.601 -1.929 -2.520 1.00 0.00 C ATOM 591 CG1 VAL A 171 2.041 -0.695 -1.748 1.00 0.00 C ATOM 592 CG2 VAL A 171 1.426 -1.610 -3.997 1.00 0.00 C ATOM 0 H VAL A 171 2.124 -2.949 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 171 2.309 -3.924 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 171 0.638 -2.251 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 171 1.313 0.103 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 171 2.111 -0.935 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 171 3.015 -0.367 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 171 0.707 -0.799 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 171 2.384 -1.307 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 171 1.062 -2.495 -4.520 1.00 0.00 H new ATOM 602 N ALA A 172 4.756 -2.045 -1.852 1.00 0.00 N ATOM 603 CA ALA A 172 6.095 -1.552 -2.154 1.00 0.00 C ATOM 604 C ALA A 172 7.009 -2.687 -2.603 1.00 0.00 C ATOM 605 O ALA A 172 7.900 -2.488 -3.429 1.00 0.00 O ATOM 606 CB ALA A 172 6.683 -0.846 -0.941 1.00 0.00 C ATOM 0 H ALA A 172 4.472 -1.926 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 172 6.017 -0.838 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 172 7.683 -0.483 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 172 6.047 -0.004 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 172 6.741 -1.544 -0.106 1.00 0.00 H new ATOM 612 N SER A 173 6.782 -3.876 -2.054 1.00 0.00 N ATOM 613 CA SER A 173 7.589 -5.042 -2.396 1.00 0.00 C ATOM 614 C SER A 173 6.866 -5.925 -3.407 1.00 0.00 C ATOM 615 O SER A 173 7.494 -6.667 -4.163 1.00 0.00 O ATOM 616 CB SER A 173 7.916 -5.849 -1.138 1.00 0.00 C ATOM 617 OG SER A 173 8.541 -5.037 -0.159 1.00 0.00 O ATOM 0 H SER A 173 6.047 -4.057 -1.371 1.00 0.00 H new ATOM 0 HA SER A 173 8.518 -4.691 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 173 7.001 -6.278 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 173 8.570 -6.682 -1.396 1.00 0.00 H new ATOM 0 HG SER A 173 8.738 -5.576 0.636 1.00 0.00 H new ATOM 623 N CYS A 174 5.540 -5.841 -3.415 1.00 0.00 N ATOM 624 CA CYS A 174 4.728 -6.633 -4.332 1.00 0.00 C ATOM 625 C CYS A 174 5.442 -6.819 -5.668 1.00 0.00 C ATOM 626 O CYS A 174 5.794 -5.858 -6.351 1.00 0.00 O ATOM 627 CB CYS A 174 3.372 -5.961 -4.555 1.00 0.00 C ATOM 628 SG CYS A 174 2.152 -7.013 -5.406 1.00 0.00 S ATOM 0 H CYS A 174 5.004 -5.232 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 174 4.571 -7.614 -3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 174 2.965 -5.659 -3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 174 3.521 -5.051 -5.137 1.00 0.00 H new ATOM 0 HG CYS A 174 1.763 -7.961 -4.606 1.00 0.00 H new ATOM 633 N PRO A 175 5.660 -8.086 -6.050 1.00 0.00 N ATOM 634 CA PRO A 175 6.333 -8.429 -7.306 1.00 0.00 C ATOM 635 C PRO A 175 5.479 -8.105 -8.528 1.00 0.00 C ATOM 636 O PRO A 175 5.983 -7.604 -9.535 1.00 0.00 O ATOM 637 CB PRO A 175 6.550 -9.940 -7.192 1.00 0.00 C ATOM 638 CG PRO A 175 5.485 -10.406 -6.259 1.00 0.00 C ATOM 639 CD PRO A 175 5.267 -9.281 -5.285 1.00 0.00 C ATOM 0 HA PRO A 175 7.254 -7.862 -7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.466 -10.427 -8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 175 7.543 -10.169 -6.806 1.00 0.00 H new ATOM 0 HG2 PRO A 175 4.567 -10.638 -6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 175 5.790 -11.316 -5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 175 4.228 -9.226 -4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 175 5.875 -9.402 -4.389 1.00 0.00 H new ATOM 647 N LEU A 176 4.186 -8.392 -8.433 1.00 0.00 N ATOM 648 CA LEU A 176 3.262 -8.130 -9.531 1.00 0.00 C ATOM 649 C LEU A 176 3.382 -6.688 -10.011 1.00 0.00 C ATOM 650 O LEU A 176 3.328 -6.414 -11.211 1.00 0.00 O ATOM 651 CB LEU A 176 1.824 -8.416 -9.093 1.00 0.00 C ATOM 652 CG LEU A 176 1.456 -9.890 -8.919 1.00 0.00 C ATOM 653 CD1 LEU A 176 0.212 -10.031 -8.056 1.00 0.00 C ATOM 654 CD2 LEU A 176 1.245 -10.550 -10.274 1.00 0.00 C ATOM 0 H LEU A 176 3.753 -8.806 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 176 3.522 -8.791 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 176 1.644 -7.903 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 176 1.148 -7.978 -9.827 1.00 0.00 H new ATOM 0 HG LEU A 176 2.281 -10.394 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.035 -11.087 -7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 176 0.399 -9.595 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -0.621 -9.512 -8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 176 0.984 -11.599 -10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 176 0.438 -10.044 -10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 176 2.162 -10.481 -10.859 1.00 0.00 H new ATOM 666 N LYS A 177 3.547 -5.767 -9.068 1.00 0.00 N ATOM 667 CA LYS A 177 3.678 -4.352 -9.393 1.00 0.00 C ATOM 668 C LYS A 177 5.026 -4.067 -10.047 1.00 0.00 C ATOM 669 O LYS A 177 5.094 -3.439 -11.103 1.00 0.00 O ATOM 670 CB LYS A 177 3.522 -3.500 -8.131 1.00 0.00 C ATOM 671 CG LYS A 177 3.881 -2.039 -8.335 1.00 0.00 C ATOM 672 CD LYS A 177 3.397 -1.179 -7.179 1.00 0.00 C ATOM 673 CE LYS A 177 3.362 0.294 -7.556 1.00 0.00 C ATOM 674 NZ LYS A 177 3.177 1.167 -6.364 1.00 0.00 N ATOM 0 H LYS A 177 3.593 -5.976 -8.071 1.00 0.00 H new ATOM 0 HA LYS A 177 2.889 -4.093 -10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 177 2.491 -3.567 -7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 177 4.152 -3.914 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 177 4.962 -1.940 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 177 3.440 -1.681 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 177 2.401 -1.502 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 177 4.053 -1.320 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 177 4.290 0.562 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 177 2.551 0.469 -8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 3.158 2.163 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 2.279 0.929 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 3.964 1.019 -5.700 1.00 0.00 H new ATOM 688 N ALA A 178 6.097 -4.534 -9.414 1.00 0.00 N ATOM 689 CA ALA A 178 7.442 -4.333 -9.937 1.00 0.00 C ATOM 690 C ALA A 178 7.565 -4.868 -11.359 1.00 0.00 C ATOM 691 O ALA A 178 7.992 -4.154 -12.266 1.00 0.00 O ATOM 692 CB ALA A 178 8.466 -4.999 -9.030 1.00 0.00 C ATOM 0 H ALA A 178 6.059 -5.054 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 178 7.638 -3.261 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 178 9.466 -4.841 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 178 8.404 -4.566 -8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 178 8.262 -6.068 -8.975 1.00 0.00 H new