USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 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 139 HIS :FLIP no HD1:sc= 0.105 F(o=-3.6,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.47 F(o=-3.2!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 145 GLN : amide:sc= -8.72! C(o=-8.7!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.315 K(o=0.31,f=-0.78) USER MOD Single : A 149 TYR OH : rot -95:sc= 0.0289 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.6! C(o=-8.6!,f=-10!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.035) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ -162:sc= -0.0614 (180deg=-0.584) USER MOD Single : A 165 SER OG : rot -110:sc= 0.0674! USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -0.0974 X(o=-0.097,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 153:sc=-0.00869 (180deg=-1.23) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.795 (180deg=-1.57!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc= -0.0066 (180deg=-0.0702) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 197 ASN : amide:sc= -0.0944 K(o=-0.094,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 134 17.335 -1.858 3.062 1.00 0.00 N ATOM 19 CA ALA A 134 16.462 -2.761 2.320 1.00 0.00 C ATOM 20 C ALA A 134 15.044 -2.201 2.257 1.00 0.00 C ATOM 21 O ALA A 134 14.750 -1.160 2.844 1.00 0.00 O ATOM 22 CB ALA A 134 16.442 -4.136 2.988 1.00 0.00 C ATOM 0 HA ALA A 134 16.848 -2.858 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.788 -4.803 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.451 -4.547 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.073 -4.039 4.009 1.00 0.00 H new ATOM 28 N CYS A 135 14.168 -2.903 1.545 1.00 0.00 N ATOM 29 CA CYS A 135 12.782 -2.467 1.413 1.00 0.00 C ATOM 30 C CYS A 135 12.094 -2.463 2.774 1.00 0.00 C ATOM 31 O CYS A 135 12.481 -3.203 3.678 1.00 0.00 O ATOM 32 CB CYS A 135 12.036 -3.391 0.448 1.00 0.00 C ATOM 33 SG CYS A 135 12.642 -3.105 -1.236 1.00 0.00 S ATOM 0 H CYS A 135 14.390 -3.769 1.054 1.00 0.00 H new ATOM 0 HA CYS A 135 12.769 -1.452 1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.189 -4.432 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.964 -3.201 0.499 1.00 0.00 H new ATOM 38 N GLN A 136 11.071 -1.617 2.917 1.00 0.00 N ATOM 39 CA GLN A 136 10.328 -1.507 4.176 1.00 0.00 C ATOM 40 C GLN A 136 8.859 -1.834 3.947 1.00 0.00 C ATOM 41 O GLN A 136 8.356 -1.714 2.831 1.00 0.00 O ATOM 42 CB GLN A 136 10.454 -0.088 4.732 1.00 0.00 C ATOM 43 CG GLN A 136 11.905 0.176 5.136 1.00 0.00 C ATOM 44 CD GLN A 136 12.058 1.610 5.631 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.345 2.032 6.542 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.948 2.389 5.081 1.00 0.00 N ATOM 0 H GLN A 136 10.738 -0.998 2.178 1.00 0.00 H new ATOM 0 HA GLN A 136 10.745 -2.215 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.137 0.637 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.798 0.036 5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.206 -0.521 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.565 0.004 4.285 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.537 2.037 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.055 3.350 5.405 1.00 0.00 H new ATOM 55 N PHE A 137 8.171 -2.254 5.010 1.00 0.00 N ATOM 56 CA PHE A 137 6.752 -2.604 4.915 1.00 0.00 C ATOM 57 C PHE A 137 5.895 -1.599 5.684 1.00 0.00 C ATOM 58 O PHE A 137 6.240 -1.189 6.792 1.00 0.00 O ATOM 59 CB PHE A 137 6.535 -4.017 5.479 1.00 0.00 C ATOM 60 CG PHE A 137 5.052 -4.309 5.604 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.218 -4.204 4.482 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.509 -4.681 6.843 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.853 -4.469 4.597 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.140 -4.948 6.956 1.00 0.00 C ATOM 65 CZ PHE A 137 2.311 -4.842 5.833 1.00 0.00 C ATOM 0 H PHE A 137 8.571 -2.360 5.943 1.00 0.00 H new ATOM 0 HA PHE A 137 6.453 -2.578 3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.004 -4.753 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.014 -4.105 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.633 -3.917 3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.148 -4.761 7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.213 -4.386 3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.723 -5.236 7.910 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.254 -5.048 5.920 1.00 0.00 H new ATOM 75 N SER A 138 4.771 -1.211 5.080 1.00 0.00 N ATOM 76 CA SER A 138 3.855 -0.256 5.702 1.00 0.00 C ATOM 77 C SER A 138 2.417 -0.548 5.277 1.00 0.00 C ATOM 78 O SER A 138 2.148 -0.808 4.104 1.00 0.00 O ATOM 79 CB SER A 138 4.233 1.167 5.290 1.00 0.00 C ATOM 80 OG SER A 138 3.618 2.091 6.178 1.00 0.00 O ATOM 0 H SER A 138 4.474 -1.543 4.162 1.00 0.00 H new ATOM 0 HA SER A 138 3.930 -0.352 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.316 1.289 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.912 1.359 4.266 1.00 0.00 H new ATOM 0 HG SER A 138 3.859 3.005 5.918 1.00 0.00 H new ATOM 86 N HIS A 139 1.497 -0.509 6.242 1.00 0.00 N ATOM 87 CA HIS A 139 0.079 -0.775 5.968 1.00 0.00 C ATOM 88 C HIS A 139 -0.807 0.286 6.612 1.00 0.00 C ATOM 89 O HIS A 139 -0.389 0.992 7.529 1.00 0.00 O ATOM 90 CB HIS A 139 -0.311 -2.156 6.500 1.00 0.00 C ATOM 91 CG HIS A 139 -0.244 -2.157 8.002 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.160 -1.793 8.957 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.882 -2.572 8.695 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.614 -1.979 10.223 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.616 -2.450 10.009 1.00 0.00 N flip ATOM 0 H HIS A 139 1.705 -0.297 7.218 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.067 -0.746 4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.318 -2.412 6.171 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.359 -2.915 6.096 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.804 -2.928 8.260 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.085 -1.784 11.175 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.274 -2.689 10.751 1.00 0.00 H new ATOM 104 N VAL A 140 -2.042 0.390 6.116 1.00 0.00 N ATOM 105 CA VAL A 140 -3.006 1.368 6.633 1.00 0.00 C ATOM 106 C VAL A 140 -4.373 0.705 6.807 1.00 0.00 C ATOM 107 O VAL A 140 -4.995 0.291 5.831 1.00 0.00 O ATOM 108 CB VAL A 140 -3.108 2.543 5.648 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.298 3.438 6.006 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.823 3.369 5.716 1.00 0.00 C ATOM 0 H VAL A 140 -2.399 -0.190 5.357 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.672 1.738 7.602 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.250 2.149 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.357 4.266 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.218 2.856 5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.167 3.831 7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.890 4.204 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.689 3.751 6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.973 2.741 5.450 1.00 0.00 H new ATOM 120 N ASN A 141 -4.835 0.599 8.055 1.00 0.00 N ATOM 121 CA ASN A 141 -6.131 -0.029 8.331 1.00 0.00 C ATOM 122 C ASN A 141 -6.794 0.575 9.573 1.00 0.00 C ATOM 123 O ASN A 141 -6.203 0.596 10.654 1.00 0.00 O ATOM 124 CB ASN A 141 -5.937 -1.538 8.541 1.00 0.00 C ATOM 125 CG ASN A 141 -5.272 -1.811 9.887 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.992 -1.788 10.974 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.067 -2.055 9.950 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.340 0.935 8.881 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.782 0.151 7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.901 -2.044 8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.325 -1.947 7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.505 -2.073 9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.631 -2.240 10.853 1.00 0.00 H new ATOM 134 N SER A 142 -8.033 1.047 9.415 1.00 0.00 N ATOM 135 CA SER A 142 -8.787 1.624 10.535 1.00 0.00 C ATOM 136 C SER A 142 -10.245 1.176 10.470 1.00 0.00 C ATOM 137 O SER A 142 -10.631 0.421 9.578 1.00 0.00 O ATOM 138 CB SER A 142 -8.709 3.155 10.515 1.00 0.00 C ATOM 139 OG SER A 142 -8.974 3.651 11.822 1.00 0.00 O ATOM 0 H SER A 142 -8.535 1.042 8.527 1.00 0.00 H new ATOM 0 HA SER A 142 -8.343 1.269 11.465 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.722 3.477 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.431 3.559 9.806 1.00 0.00 H new ATOM 0 HG SER A 142 -8.924 4.630 11.817 1.00 0.00 H new ATOM 145 N ARG A 143 -11.046 1.638 11.422 1.00 0.00 N ATOM 146 CA ARG A 143 -12.457 1.272 11.465 1.00 0.00 C ATOM 147 C ARG A 143 -13.254 1.982 10.371 1.00 0.00 C ATOM 148 O ARG A 143 -14.163 1.401 9.780 1.00 0.00 O ATOM 149 CB ARG A 143 -13.043 1.626 12.834 1.00 0.00 C ATOM 150 CG ARG A 143 -12.056 1.225 13.934 1.00 0.00 C ATOM 151 CD ARG A 143 -11.688 -0.253 13.784 1.00 0.00 C ATOM 152 NE ARG A 143 -11.089 -0.751 15.018 1.00 0.00 N ATOM 153 CZ ARG A 143 -10.775 -2.034 15.160 1.00 0.00 C ATOM 154 NH1 ARG A 143 -11.001 -2.873 14.186 1.00 0.00 N ATOM 155 NH2 ARG A 143 -10.241 -2.456 16.273 1.00 0.00 N ATOM 0 H ARG A 143 -10.746 2.263 12.170 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.529 0.198 11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -13.248 2.695 12.888 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.993 1.111 12.978 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -11.159 1.841 13.873 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.498 1.402 14.915 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.578 -0.834 13.543 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.991 -0.379 12.956 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.908 -0.103 15.785 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.419 -2.544 13.316 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -10.760 -3.858 14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -10.064 -1.801 17.035 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -10.000 -3.441 16.382 1.00 0.00 H new ATOM 169 N ASP A 144 -12.923 3.248 10.119 1.00 0.00 N ATOM 170 CA ASP A 144 -13.632 4.036 9.105 1.00 0.00 C ATOM 171 C ASP A 144 -12.933 3.971 7.749 1.00 0.00 C ATOM 172 O ASP A 144 -13.558 4.196 6.712 1.00 0.00 O ATOM 173 CB ASP A 144 -13.718 5.495 9.558 1.00 0.00 C ATOM 174 CG ASP A 144 -14.586 6.291 8.589 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.795 6.142 8.647 1.00 0.00 O ATOM 176 OD2 ASP A 144 -14.027 7.039 7.803 1.00 0.00 O ATOM 0 H ASP A 144 -12.175 3.749 10.598 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.631 3.614 8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.137 5.548 10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.719 5.929 9.606 1.00 0.00 H new ATOM 181 N GLN A 145 -11.639 3.676 7.758 1.00 0.00 N ATOM 182 CA GLN A 145 -10.874 3.601 6.517 1.00 0.00 C ATOM 183 C GLN A 145 -11.464 2.545 5.576 1.00 0.00 C ATOM 184 O GLN A 145 -10.920 1.451 5.443 1.00 0.00 O ATOM 185 CB GLN A 145 -9.407 3.268 6.841 1.00 0.00 C ATOM 186 CG GLN A 145 -8.619 4.556 7.131 1.00 0.00 C ATOM 187 CD GLN A 145 -7.142 4.236 7.319 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.279 4.952 6.812 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.800 3.197 8.024 1.00 0.00 N ATOM 0 H GLN A 145 -11.100 3.486 8.603 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.924 4.566 6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.360 2.603 7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.954 2.737 6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.744 5.261 6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -9.011 5.038 8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.518 2.606 8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.814 2.974 8.158 1.00 0.00 H new ATOM 198 N CYS A 146 -12.576 2.893 4.923 1.00 0.00 N ATOM 199 CA CYS A 146 -13.255 1.989 3.986 1.00 0.00 C ATOM 200 C CYS A 146 -13.279 2.611 2.582 1.00 0.00 C ATOM 201 O CYS A 146 -14.058 3.527 2.315 1.00 0.00 O ATOM 202 CB CYS A 146 -14.687 1.745 4.489 1.00 0.00 C ATOM 203 SG CYS A 146 -15.548 0.567 3.417 1.00 0.00 S ATOM 0 H CYS A 146 -13.029 3.801 5.026 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.721 1.040 3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.659 1.363 5.510 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.234 2.687 4.516 1.00 0.00 H new ATOM 208 N ASN A 147 -12.402 2.121 1.694 1.00 0.00 N ATOM 209 CA ASN A 147 -12.305 2.645 0.321 1.00 0.00 C ATOM 210 C ASN A 147 -12.221 1.513 -0.709 1.00 0.00 C ATOM 211 O ASN A 147 -11.987 0.356 -0.359 1.00 0.00 O ATOM 212 CB ASN A 147 -11.064 3.533 0.197 1.00 0.00 C ATOM 213 CG ASN A 147 -10.947 4.442 1.415 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.400 5.585 1.384 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.362 3.998 2.494 1.00 0.00 N ATOM 0 H ASN A 147 -11.750 1.364 1.900 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.206 3.224 0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.171 2.914 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.126 4.134 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.280 4.599 3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.987 3.050 2.517 1.00 0.00 H new ATOM 222 N ASP A 148 -12.422 1.860 -1.985 1.00 0.00 N ATOM 223 CA ASP A 148 -12.378 0.875 -3.069 1.00 0.00 C ATOM 224 C ASP A 148 -10.945 0.473 -3.413 1.00 0.00 C ATOM 225 O ASP A 148 -9.991 1.187 -3.109 1.00 0.00 O ATOM 226 CB ASP A 148 -13.071 1.433 -4.316 1.00 0.00 C ATOM 227 CG ASP A 148 -12.590 2.851 -4.599 1.00 0.00 C ATOM 228 OD1 ASP A 148 -11.617 2.993 -5.319 1.00 0.00 O ATOM 229 OD2 ASP A 148 -13.206 3.775 -4.092 1.00 0.00 O ATOM 0 H ASP A 148 -12.616 2.813 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.903 -0.016 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.862 0.793 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.151 1.430 -4.172 1.00 0.00 H new ATOM 234 N TYR A 149 -10.816 -0.692 -4.046 1.00 0.00 N ATOM 235 CA TYR A 149 -9.511 -1.216 -4.437 1.00 0.00 C ATOM 236 C TYR A 149 -8.666 -0.136 -5.105 1.00 0.00 C ATOM 237 O TYR A 149 -7.572 0.184 -4.642 1.00 0.00 O ATOM 238 CB TYR A 149 -9.705 -2.385 -5.410 1.00 0.00 C ATOM 239 CG TYR A 149 -8.378 -3.039 -5.713 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.898 -4.074 -4.895 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.629 -2.619 -6.819 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.673 -4.685 -5.187 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.404 -3.230 -7.110 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.926 -4.263 -6.294 1.00 0.00 C ATOM 245 OH TYR A 149 -4.718 -4.866 -6.580 1.00 0.00 O ATOM 0 H TYR A 149 -11.602 -1.291 -4.299 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.991 -1.555 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.389 -3.116 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.161 -2.027 -6.333 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.474 -4.399 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.997 -1.822 -7.448 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.304 -5.482 -4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.827 -2.905 -7.963 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.989 -4.342 -6.186 1.00 0.00 H new ATOM 255 N GLN A 150 -9.181 0.417 -6.199 1.00 0.00 N ATOM 256 CA GLN A 150 -8.464 1.457 -6.929 1.00 0.00 C ATOM 257 C GLN A 150 -8.092 2.610 -6.002 1.00 0.00 C ATOM 258 O GLN A 150 -6.946 3.058 -5.985 1.00 0.00 O ATOM 259 CB GLN A 150 -9.328 1.979 -8.078 1.00 0.00 C ATOM 260 CG GLN A 150 -8.601 3.128 -8.790 1.00 0.00 C ATOM 261 CD GLN A 150 -9.164 3.316 -10.192 1.00 0.00 C ATOM 262 OE1 GLN A 150 -10.009 4.182 -10.415 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.739 2.547 -11.151 1.00 0.00 N ATOM 0 H GLN A 150 -10.086 0.165 -6.597 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.548 1.024 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.536 1.175 -8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.288 2.325 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.713 4.049 -8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.533 2.915 -8.844 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.038 1.831 -10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.106 2.660 -12.096 1.00 0.00 H new ATOM 272 N HIS A 151 -9.067 3.089 -5.237 1.00 0.00 N ATOM 273 CA HIS A 151 -8.822 4.191 -4.316 1.00 0.00 C ATOM 274 C HIS A 151 -7.612 3.883 -3.441 1.00 0.00 C ATOM 275 O HIS A 151 -6.724 4.721 -3.281 1.00 0.00 O ATOM 276 CB HIS A 151 -10.057 4.429 -3.431 1.00 0.00 C ATOM 277 CG HIS A 151 -11.062 5.280 -4.164 1.00 0.00 C ATOM 278 ND1 HIS A 151 -11.103 5.347 -5.549 1.00 0.00 N ATOM 279 CD2 HIS A 151 -12.064 6.105 -3.720 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.101 6.186 -5.885 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.719 6.676 -4.807 1.00 0.00 N ATOM 0 H HIS A 151 -10.024 2.736 -5.236 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.623 5.092 -4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.507 3.475 -3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.761 4.919 -2.504 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -12.308 6.284 -2.683 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -12.369 6.433 -6.902 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -13.503 7.329 -4.785 1.00 0.00 H new ATOM 290 N TRP A 152 -7.586 2.685 -2.867 1.00 0.00 N ATOM 291 CA TRP A 152 -6.476 2.306 -2.005 1.00 0.00 C ATOM 292 C TRP A 152 -5.157 2.350 -2.782 1.00 0.00 C ATOM 293 O TRP A 152 -4.166 2.893 -2.303 1.00 0.00 O ATOM 294 CB TRP A 152 -6.693 0.890 -1.424 1.00 0.00 C ATOM 295 CG TRP A 152 -7.481 0.943 -0.147 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.579 0.194 0.103 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.247 1.745 1.058 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.044 0.485 1.370 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.262 1.437 1.996 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.276 2.704 1.430 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.313 2.052 3.244 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.327 3.319 2.685 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.341 2.999 3.589 1.00 0.00 C ATOM 0 H TRP A 152 -8.307 1.972 -2.980 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.429 3.019 -1.182 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.217 0.271 -2.153 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.728 0.418 -1.240 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.021 -0.517 -0.579 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.864 0.050 1.792 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.488 2.964 0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.098 1.800 3.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.576 4.047 2.957 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.376 3.482 4.554 1.00 0.00 H new ATOM 314 N LYS A 153 -5.156 1.767 -3.973 1.00 0.00 N ATOM 315 CA LYS A 153 -3.952 1.736 -4.800 1.00 0.00 C ATOM 316 C LYS A 153 -3.317 3.119 -4.879 1.00 0.00 C ATOM 317 O LYS A 153 -2.095 3.254 -4.820 1.00 0.00 O ATOM 318 CB LYS A 153 -4.321 1.222 -6.207 1.00 0.00 C ATOM 319 CG LYS A 153 -3.135 0.481 -6.862 1.00 0.00 C ATOM 320 CD LYS A 153 -3.657 -0.463 -7.957 1.00 0.00 C ATOM 321 CE LYS A 153 -4.308 0.345 -9.085 1.00 0.00 C ATOM 322 NZ LYS A 153 -4.330 -0.474 -10.329 1.00 0.00 N ATOM 0 H LYS A 153 -5.968 1.311 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.222 1.063 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.178 0.552 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.621 2.060 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.436 1.200 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.587 -0.086 -6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.836 -1.060 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.381 -1.159 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.322 0.629 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.753 1.268 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.771 0.072 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.357 -0.724 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.877 -1.343 -10.163 1.00 0.00 H new ATOM 336 N ASP A 154 -4.148 4.144 -5.006 1.00 0.00 N ATOM 337 CA ASP A 154 -3.639 5.506 -5.085 1.00 0.00 C ATOM 338 C ASP A 154 -3.171 5.984 -3.713 1.00 0.00 C ATOM 339 O ASP A 154 -2.069 6.513 -3.578 1.00 0.00 O ATOM 340 CB ASP A 154 -4.730 6.441 -5.608 1.00 0.00 C ATOM 341 CG ASP A 154 -5.035 6.121 -7.067 1.00 0.00 C ATOM 342 OD1 ASP A 154 -5.133 4.948 -7.387 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.167 7.053 -7.842 1.00 0.00 O ATOM 0 H ASP A 154 -5.163 4.061 -5.056 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.791 5.518 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.633 6.332 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.408 7.478 -5.514 1.00 0.00 H new ATOM 348 N GLU A 155 -4.012 5.795 -2.699 1.00 0.00 N ATOM 349 CA GLU A 155 -3.674 6.219 -1.343 1.00 0.00 C ATOM 350 C GLU A 155 -2.373 5.568 -0.867 1.00 0.00 C ATOM 351 O GLU A 155 -1.462 6.258 -0.410 1.00 0.00 O ATOM 352 CB GLU A 155 -4.827 5.874 -0.386 1.00 0.00 C ATOM 353 CG GLU A 155 -4.392 6.077 1.080 1.00 0.00 C ATOM 354 CD GLU A 155 -5.594 6.445 1.948 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.656 5.888 1.722 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.434 7.277 2.824 1.00 0.00 O ATOM 0 H GLU A 155 -4.927 5.354 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.523 7.298 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.690 6.502 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.138 4.841 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.929 5.166 1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.640 6.864 1.137 1.00 0.00 H new ATOM 363 N ALA A 156 -2.284 4.245 -0.979 1.00 0.00 N ATOM 364 CA ALA A 156 -1.076 3.544 -0.555 1.00 0.00 C ATOM 365 C ALA A 156 0.133 4.141 -1.262 1.00 0.00 C ATOM 366 O ALA A 156 1.229 4.197 -0.705 1.00 0.00 O ATOM 367 CB ALA A 156 -1.181 2.049 -0.881 1.00 0.00 C ATOM 0 H ALA A 156 -3.020 3.646 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.962 3.658 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.272 1.542 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.039 1.623 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.307 1.919 -1.956 1.00 0.00 H new ATOM 373 N GLY A 157 -0.083 4.599 -2.492 1.00 0.00 N ATOM 374 CA GLY A 157 0.989 5.207 -3.267 1.00 0.00 C ATOM 375 C GLY A 157 1.445 6.513 -2.625 1.00 0.00 C ATOM 376 O GLY A 157 2.642 6.743 -2.446 1.00 0.00 O ATOM 0 H GLY A 157 -0.984 4.560 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.830 4.517 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.647 5.396 -4.284 1.00 0.00 H new ATOM 380 N LYS A 158 0.485 7.369 -2.277 1.00 0.00 N ATOM 381 CA LYS A 158 0.807 8.649 -1.656 1.00 0.00 C ATOM 382 C LYS A 158 1.433 8.442 -0.279 1.00 0.00 C ATOM 383 O LYS A 158 2.325 9.186 0.121 1.00 0.00 O ATOM 384 CB LYS A 158 -0.452 9.511 -1.511 1.00 0.00 C ATOM 385 CG LYS A 158 -1.229 9.549 -2.840 1.00 0.00 C ATOM 386 CD LYS A 158 -2.030 10.852 -2.946 1.00 0.00 C ATOM 387 CE LYS A 158 -3.054 10.915 -1.813 1.00 0.00 C ATOM 388 NZ LYS A 158 -4.024 12.015 -2.081 1.00 0.00 N ATOM 0 H LYS A 158 -0.512 7.200 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 158 1.522 9.159 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.087 9.109 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.176 10.523 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.536 9.470 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.902 8.694 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.359 11.709 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.535 10.903 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.580 9.964 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.550 11.084 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.721 12.059 -1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.515 12.920 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.513 11.835 -2.981 1.00 0.00 H new ATOM 402 N GLN A 159 0.951 7.435 0.445 1.00 0.00 N ATOM 403 CA GLN A 159 1.472 7.159 1.782 1.00 0.00 C ATOM 404 C GLN A 159 2.973 6.873 1.726 1.00 0.00 C ATOM 405 O GLN A 159 3.735 7.331 2.574 1.00 0.00 O ATOM 406 CB GLN A 159 0.722 5.961 2.411 1.00 0.00 C ATOM 407 CG GLN A 159 0.569 6.170 3.927 1.00 0.00 C ATOM 408 CD GLN A 159 -0.559 7.158 4.208 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.319 8.238 4.747 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.782 6.848 3.873 1.00 0.00 N ATOM 0 H GLN A 159 0.211 6.805 0.135 1.00 0.00 H new ATOM 0 HA GLN A 159 1.312 8.040 2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.260 5.854 1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.268 5.038 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.359 5.218 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.503 6.543 4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.977 5.952 3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.543 7.502 4.058 1.00 0.00 H new ATOM 419 N CYS A 160 3.389 6.107 0.727 1.00 0.00 N ATOM 420 CA CYS A 160 4.799 5.767 0.578 1.00 0.00 C ATOM 421 C CYS A 160 5.587 6.944 0.011 1.00 0.00 C ATOM 422 O CYS A 160 6.707 7.219 0.440 1.00 0.00 O ATOM 423 CB CYS A 160 4.938 4.565 -0.354 1.00 0.00 C ATOM 424 SG CYS A 160 6.593 3.854 -0.181 1.00 0.00 S ATOM 0 H CYS A 160 2.777 5.712 0.013 1.00 0.00 H new ATOM 0 HA CYS A 160 5.201 5.524 1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.182 3.817 -0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.768 4.871 -1.386 1.00 0.00 H new ATOM 429 N LYS A 161 4.997 7.629 -0.961 1.00 0.00 N ATOM 430 CA LYS A 161 5.656 8.768 -1.592 1.00 0.00 C ATOM 431 C LYS A 161 5.901 9.885 -0.583 1.00 0.00 C ATOM 432 O LYS A 161 7.016 10.389 -0.462 1.00 0.00 O ATOM 433 CB LYS A 161 4.795 9.298 -2.745 1.00 0.00 C ATOM 434 CG LYS A 161 4.707 8.246 -3.872 1.00 0.00 C ATOM 435 CD LYS A 161 5.896 8.391 -4.843 1.00 0.00 C ATOM 436 CE LYS A 161 5.581 9.449 -5.910 1.00 0.00 C ATOM 437 NZ LYS A 161 6.703 9.514 -6.888 1.00 0.00 N ATOM 0 H LYS A 161 4.069 7.418 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 161 6.618 8.432 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.795 9.537 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.223 10.222 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.701 7.244 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.770 8.365 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.793 8.675 -4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.105 7.433 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 161 4.652 9.200 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 161 5.436 10.422 -5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 6.492 10.230 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 7.581 9.771 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 6.821 8.586 -7.343 1.00 0.00 H new ATOM 451 N THR A 162 4.852 10.275 0.137 1.00 0.00 N ATOM 452 CA THR A 162 4.982 11.342 1.126 1.00 0.00 C ATOM 453 C THR A 162 5.970 10.937 2.218 1.00 0.00 C ATOM 454 O THR A 162 6.691 11.777 2.755 1.00 0.00 O ATOM 455 CB THR A 162 3.616 11.668 1.743 1.00 0.00 C ATOM 456 OG1 THR A 162 3.709 12.885 2.470 1.00 0.00 O ATOM 457 CG2 THR A 162 3.181 10.545 2.685 1.00 0.00 C ATOM 0 H THR A 162 3.917 9.876 0.057 1.00 0.00 H new ATOM 0 HA THR A 162 5.360 12.233 0.625 1.00 0.00 H new ATOM 0 HB THR A 162 2.879 11.767 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.838 13.098 2.865 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.210 10.788 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.107 9.611 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.915 10.434 3.483 1.00 0.00 H new ATOM 465 N LYS A 163 6.001 9.646 2.535 1.00 0.00 N ATOM 466 CA LYS A 163 6.911 9.145 3.556 1.00 0.00 C ATOM 467 C LYS A 163 8.326 9.051 2.994 1.00 0.00 C ATOM 468 O LYS A 163 8.516 8.917 1.784 1.00 0.00 O ATOM 469 CB LYS A 163 6.451 7.763 4.040 1.00 0.00 C ATOM 470 CG LYS A 163 5.242 7.887 4.997 1.00 0.00 C ATOM 471 CD LYS A 163 5.580 8.606 6.328 1.00 0.00 C ATOM 472 CE LYS A 163 6.922 8.136 6.894 1.00 0.00 C ATOM 473 NZ LYS A 163 7.014 8.523 8.330 1.00 0.00 N ATOM 0 H LYS A 163 5.412 8.934 2.103 1.00 0.00 H new ATOM 0 HA LYS A 163 6.907 9.836 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.180 7.145 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.273 7.260 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.443 8.430 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.860 6.890 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.610 9.683 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 163 4.791 8.417 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 163 7.015 7.055 6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 163 7.743 8.582 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 7.925 8.205 8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 6.943 9.557 8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.238 8.078 8.860 1.00 0.00 H new ATOM 487 N LYS A 164 9.319 9.131 3.879 1.00 0.00 N ATOM 488 CA LYS A 164 10.719 9.061 3.464 1.00 0.00 C ATOM 489 C LYS A 164 11.556 8.351 4.521 1.00 0.00 C ATOM 490 O LYS A 164 11.107 8.142 5.648 1.00 0.00 O ATOM 491 CB LYS A 164 11.268 10.479 3.247 1.00 0.00 C ATOM 492 CG LYS A 164 10.844 11.405 4.411 1.00 0.00 C ATOM 493 CD LYS A 164 9.550 12.154 4.061 1.00 0.00 C ATOM 494 CE LYS A 164 9.207 13.134 5.185 1.00 0.00 C ATOM 495 NZ LYS A 164 9.048 12.386 6.463 1.00 0.00 N ATOM 0 H LYS A 164 9.181 9.244 4.883 1.00 0.00 H new ATOM 0 HA LYS A 164 10.776 8.498 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.355 10.448 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.898 10.879 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.696 10.816 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.639 12.120 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.671 12.691 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.734 11.445 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 164 9.995 13.881 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 164 8.288 13.669 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 8.529 12.973 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.518 11.509 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 9.986 12.153 6.848 1.00 0.00 H new ATOM 509 N SER A 165 12.779 7.989 4.149 1.00 0.00 N ATOM 510 CA SER A 165 13.680 7.308 5.070 1.00 0.00 C ATOM 511 C SER A 165 14.203 8.288 6.117 1.00 0.00 C ATOM 512 O SER A 165 13.665 9.383 6.277 1.00 0.00 O ATOM 513 CB SER A 165 14.849 6.701 4.296 1.00 0.00 C ATOM 514 OG SER A 165 15.799 6.173 5.213 1.00 0.00 O ATOM 0 H SER A 165 13.167 8.155 3.221 1.00 0.00 H new ATOM 0 HA SER A 165 13.133 6.512 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.491 5.914 3.633 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.316 7.459 3.667 1.00 0.00 H new ATOM 0 HG SER A 165 16.609 6.724 5.198 1.00 0.00 H new ATOM 520 N LYS A 166 15.251 7.890 6.829 1.00 0.00 N ATOM 521 CA LYS A 166 15.831 8.745 7.858 1.00 0.00 C ATOM 522 C LYS A 166 16.612 9.893 7.222 1.00 0.00 C ATOM 523 O LYS A 166 16.688 10.989 7.779 1.00 0.00 O ATOM 524 CB LYS A 166 16.762 7.922 8.759 1.00 0.00 C ATOM 525 CG LYS A 166 15.933 7.082 9.738 1.00 0.00 C ATOM 526 CD LYS A 166 14.899 6.255 8.965 1.00 0.00 C ATOM 527 CE LYS A 166 14.375 5.127 9.855 1.00 0.00 C ATOM 528 NZ LYS A 166 13.325 4.364 9.124 1.00 0.00 N ATOM 0 H LYS A 166 15.713 6.988 6.714 1.00 0.00 H new ATOM 0 HA LYS A 166 15.022 9.161 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.390 7.272 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.429 8.585 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 166 16.586 6.423 10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 166 15.431 7.732 10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 166 14.075 6.892 8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 166 15.350 5.841 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 166 15.192 4.463 10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 166 13.965 5.538 10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 12.969 3.597 9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 12.542 5.002 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 13.731 3.960 8.256 1.00 0.00 H new ATOM 542 N GLY A 167 17.196 9.635 6.053 1.00 0.00 N ATOM 543 CA GLY A 167 17.975 10.651 5.347 1.00 0.00 C ATOM 544 C GLY A 167 17.109 11.414 4.349 1.00 0.00 C ATOM 545 O GLY A 167 17.561 11.753 3.256 1.00 0.00 O ATOM 0 H GLY A 167 17.145 8.735 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.406 11.348 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.806 10.178 4.824 1.00 0.00 H new ATOM 549 N ASN A 168 15.864 11.682 4.731 1.00 0.00 N ATOM 550 CA ASN A 168 14.945 12.407 3.856 1.00 0.00 C ATOM 551 C ASN A 168 15.034 11.879 2.427 1.00 0.00 C ATOM 552 O ASN A 168 14.988 12.646 1.466 1.00 0.00 O ATOM 553 CB ASN A 168 15.280 13.900 3.872 1.00 0.00 C ATOM 554 CG ASN A 168 15.224 14.433 5.300 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.154 15.100 5.752 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.181 14.177 6.041 1.00 0.00 N ATOM 0 H ASN A 168 15.470 11.412 5.632 1.00 0.00 H new ATOM 0 HA ASN A 168 13.930 12.257 4.223 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.273 14.063 3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.576 14.446 3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.135 14.530 6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.411 13.624 5.664 1.00 0.00 H new ATOM 563 N LYS A 169 15.163 10.562 2.301 1.00 0.00 N ATOM 564 CA LYS A 169 15.262 9.926 0.988 1.00 0.00 C ATOM 565 C LYS A 169 13.861 9.694 0.410 1.00 0.00 C ATOM 566 O LYS A 169 12.875 10.218 0.926 1.00 0.00 O ATOM 567 CB LYS A 169 16.032 8.589 1.125 1.00 0.00 C ATOM 568 CG LYS A 169 17.046 8.418 -0.019 1.00 0.00 C ATOM 569 CD LYS A 169 17.877 7.152 0.212 1.00 0.00 C ATOM 570 CE LYS A 169 16.979 5.908 0.157 1.00 0.00 C ATOM 571 NZ LYS A 169 17.806 4.718 -0.193 1.00 0.00 N ATOM 0 H LYS A 169 15.202 9.914 3.088 1.00 0.00 H new ATOM 0 HA LYS A 169 15.806 10.577 0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.551 8.560 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.328 7.757 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.524 8.353 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.699 9.289 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 169 18.658 7.079 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 169 18.375 7.207 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 169 16.490 5.755 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 169 16.190 6.047 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 17.364 3.861 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 17.873 4.634 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 18.759 4.828 0.208 1.00 0.00 H new ATOM 585 N ASP A 170 13.781 8.905 -0.663 1.00 0.00 N ATOM 586 CA ASP A 170 12.499 8.606 -1.307 1.00 0.00 C ATOM 587 C ASP A 170 12.316 7.099 -1.444 1.00 0.00 C ATOM 588 O ASP A 170 13.292 6.348 -1.470 1.00 0.00 O ATOM 589 CB ASP A 170 12.450 9.253 -2.692 1.00 0.00 C ATOM 590 CG ASP A 170 11.021 9.239 -3.225 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.240 10.071 -2.793 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.729 8.396 -4.057 1.00 0.00 O ATOM 0 H ASP A 170 14.587 8.462 -1.104 1.00 0.00 H new ATOM 0 HA ASP A 170 11.696 9.008 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.816 10.278 -2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.107 8.717 -3.376 1.00 0.00 H new ATOM 597 N MET A 171 11.061 6.660 -1.530 1.00 0.00 N ATOM 598 CA MET A 171 10.761 5.235 -1.661 1.00 0.00 C ATOM 599 C MET A 171 9.492 5.022 -2.480 1.00 0.00 C ATOM 600 O MET A 171 8.492 5.715 -2.288 1.00 0.00 O ATOM 601 CB MET A 171 10.576 4.607 -0.278 1.00 0.00 C ATOM 602 CG MET A 171 11.812 4.878 0.584 1.00 0.00 C ATOM 603 SD MET A 171 11.736 3.873 2.090 1.00 0.00 S ATOM 604 CE MET A 171 11.917 2.244 1.316 1.00 0.00 C ATOM 0 H MET A 171 10.241 7.266 -1.512 1.00 0.00 H new ATOM 0 HA MET A 171 11.598 4.760 -2.172 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.689 5.019 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.417 3.533 -0.374 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.717 4.643 0.024 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.862 5.936 0.843 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.214 1.514 2.069 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.967 1.944 0.874 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.679 2.293 0.539 1.00 0.00 H new ATOM 614 N ILE A 172 9.534 4.046 -3.382 1.00 0.00 N ATOM 615 CA ILE A 172 8.381 3.724 -4.221 1.00 0.00 C ATOM 616 C ILE A 172 7.551 2.639 -3.551 1.00 0.00 C ATOM 617 O ILE A 172 7.814 2.274 -2.408 1.00 0.00 O ATOM 618 CB ILE A 172 8.848 3.243 -5.605 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.640 1.929 -5.487 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.747 4.309 -6.232 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.936 1.387 -6.888 1.00 0.00 C ATOM 0 H ILE A 172 10.354 3.463 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 172 7.773 4.620 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 172 7.970 3.072 -6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.571 2.100 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.069 1.197 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.081 3.972 -7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.189 5.239 -6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.613 4.477 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.497 0.456 -6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.998 1.201 -7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.524 2.117 -7.444 1.00 0.00 H new ATOM 633 N VAL A 173 6.566 2.108 -4.274 1.00 0.00 N ATOM 634 CA VAL A 173 5.717 1.034 -3.750 1.00 0.00 C ATOM 635 C VAL A 173 5.971 -0.242 -4.546 1.00 0.00 C ATOM 636 O VAL A 173 5.593 -0.351 -5.712 1.00 0.00 O ATOM 637 CB VAL A 173 4.236 1.431 -3.832 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.356 0.214 -3.520 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.942 2.545 -2.814 1.00 0.00 C ATOM 0 H VAL A 173 6.335 2.402 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 173 5.963 0.860 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 173 4.018 1.789 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.306 0.500 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.558 -0.576 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.578 -0.147 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.890 2.825 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.165 2.187 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.562 3.414 -3.036 1.00 0.00 H new ATOM 649 N ARG A 174 6.634 -1.194 -3.902 1.00 0.00 N ATOM 650 CA ARG A 174 6.968 -2.461 -4.541 1.00 0.00 C ATOM 651 C ARG A 174 5.734 -3.363 -4.643 1.00 0.00 C ATOM 652 O ARG A 174 5.367 -3.797 -5.735 1.00 0.00 O ATOM 653 CB ARG A 174 8.103 -3.138 -3.737 1.00 0.00 C ATOM 654 CG ARG A 174 8.036 -4.670 -3.849 1.00 0.00 C ATOM 655 CD ARG A 174 9.385 -5.277 -3.460 1.00 0.00 C ATOM 656 NE ARG A 174 9.297 -6.732 -3.439 1.00 0.00 N ATOM 657 CZ ARG A 174 9.271 -7.435 -4.566 1.00 0.00 C ATOM 658 NH1 ARG A 174 9.328 -6.824 -5.717 1.00 0.00 N ATOM 659 NH2 ARG A 174 9.190 -8.738 -4.522 1.00 0.00 N ATOM 0 H ARG A 174 6.952 -1.113 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 174 7.312 -2.281 -5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.068 -2.787 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.033 -2.845 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.251 -5.057 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.777 -4.958 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.151 -4.962 -4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.688 -4.910 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 174 9.255 -7.219 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.393 -5.807 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 174 9.308 -7.364 -6.582 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.147 -9.216 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 174 9.170 -9.277 -5.388 1.00 0.00 H new ATOM 673 N SER A 175 5.108 -3.654 -3.502 1.00 0.00 N ATOM 674 CA SER A 175 3.921 -4.521 -3.476 1.00 0.00 C ATOM 675 C SER A 175 2.691 -3.747 -3.016 1.00 0.00 C ATOM 676 O SER A 175 2.805 -2.653 -2.465 1.00 0.00 O ATOM 677 CB SER A 175 4.164 -5.703 -2.533 1.00 0.00 C ATOM 678 OG SER A 175 3.247 -6.743 -2.842 1.00 0.00 O ATOM 0 H SER A 175 5.398 -3.307 -2.588 1.00 0.00 H new ATOM 0 HA SER A 175 3.742 -4.887 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.188 -6.062 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.040 -5.388 -1.497 1.00 0.00 H new ATOM 0 HG SER A 175 3.400 -7.503 -2.242 1.00 0.00 H new ATOM 684 N PHE A 176 1.516 -4.327 -3.245 1.00 0.00 N ATOM 685 CA PHE A 176 0.273 -3.681 -2.846 1.00 0.00 C ATOM 686 C PHE A 176 -0.901 -4.658 -2.954 1.00 0.00 C ATOM 687 O PHE A 176 -1.070 -5.344 -3.962 1.00 0.00 O ATOM 688 CB PHE A 176 0.046 -2.429 -3.718 1.00 0.00 C ATOM 689 CG PHE A 176 -1.420 -2.038 -3.740 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.947 -1.252 -2.713 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.246 -2.468 -4.783 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.293 -0.897 -2.722 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.599 -2.107 -4.795 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.123 -1.321 -3.761 1.00 0.00 C ATOM 0 H PHE A 176 1.400 -5.233 -3.700 1.00 0.00 H new ATOM 0 HA PHE A 176 0.342 -3.372 -1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.641 -1.601 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.389 -2.622 -4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.308 -0.918 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.841 -3.077 -5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.696 -0.292 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.238 -2.435 -5.601 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.167 -1.044 -3.768 1.00 0.00 H new ATOM 704 N ALA A 177 -1.706 -4.703 -1.896 1.00 0.00 N ATOM 705 CA ALA A 177 -2.874 -5.583 -1.849 1.00 0.00 C ATOM 706 C ALA A 177 -3.768 -5.181 -0.682 1.00 0.00 C ATOM 707 O ALA A 177 -3.266 -4.821 0.377 1.00 0.00 O ATOM 708 CB ALA A 177 -2.427 -7.035 -1.671 1.00 0.00 C ATOM 0 H ALA A 177 -1.572 -4.139 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.428 -5.491 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.302 -7.684 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.792 -7.326 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.867 -7.132 -0.741 1.00 0.00 H new ATOM 714 N VAL A 178 -5.085 -5.234 -0.867 1.00 0.00 N ATOM 715 CA VAL A 178 -5.998 -4.843 0.205 1.00 0.00 C ATOM 716 C VAL A 178 -5.934 -5.836 1.363 1.00 0.00 C ATOM 717 O VAL A 178 -5.404 -6.937 1.219 1.00 0.00 O ATOM 718 CB VAL A 178 -7.437 -4.723 -0.313 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.533 -3.535 -1.276 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.849 -6.012 -1.036 1.00 0.00 C ATOM 0 H VAL A 178 -5.537 -5.537 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.682 -3.865 0.569 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.109 -4.565 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.555 -3.448 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.257 -2.619 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.856 -3.692 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.872 -5.914 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.180 -6.186 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.788 -6.852 -0.345 1.00 0.00 H new ATOM 730 N LEU A 179 -6.451 -5.421 2.527 1.00 0.00 N ATOM 731 CA LEU A 179 -6.415 -6.264 3.728 1.00 0.00 C ATOM 732 C LEU A 179 -7.810 -6.729 4.148 1.00 0.00 C ATOM 733 O LEU A 179 -8.336 -7.711 3.626 1.00 0.00 O ATOM 734 CB LEU A 179 -5.789 -5.479 4.895 1.00 0.00 C ATOM 735 CG LEU A 179 -4.261 -5.362 4.731 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.681 -4.451 5.854 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.613 -6.774 4.779 1.00 0.00 C ATOM 0 H LEU A 179 -6.896 -4.513 2.662 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.818 -7.143 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.229 -4.483 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.019 -5.977 5.837 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.033 -4.912 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.600 -4.370 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.129 -3.460 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.908 -4.885 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.533 -6.683 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.836 -7.244 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.015 -7.386 3.972 1.00 0.00 H new ATOM 749 N GLU A 180 -8.375 -6.033 5.132 1.00 0.00 N ATOM 750 CA GLU A 180 -9.683 -6.394 5.669 1.00 0.00 C ATOM 751 C GLU A 180 -10.811 -6.058 4.686 1.00 0.00 C ATOM 752 O GLU A 180 -10.728 -5.066 3.963 1.00 0.00 O ATOM 753 CB GLU A 180 -9.919 -5.649 6.984 1.00 0.00 C ATOM 754 CG GLU A 180 -9.012 -6.227 8.072 1.00 0.00 C ATOM 755 CD GLU A 180 -9.007 -5.308 9.288 1.00 0.00 C ATOM 756 OE1 GLU A 180 -9.850 -5.495 10.151 1.00 0.00 O ATOM 757 OE2 GLU A 180 -8.161 -4.430 9.341 1.00 0.00 O ATOM 0 H GLU A 180 -7.948 -5.218 5.572 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.690 -7.471 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.715 -4.586 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.964 -5.739 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.360 -7.220 8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.998 -6.342 7.689 1.00 0.00 H new ATOM 764 N PRO A 181 -11.864 -6.851 4.650 1.00 0.00 N ATOM 765 CA PRO A 181 -13.022 -6.605 3.739 1.00 0.00 C ATOM 766 C PRO A 181 -13.984 -5.538 4.275 1.00 0.00 C ATOM 767 O PRO A 181 -14.192 -5.410 5.481 1.00 0.00 O ATOM 768 CB PRO A 181 -13.708 -7.972 3.690 1.00 0.00 C ATOM 769 CG PRO A 181 -13.484 -8.533 5.054 1.00 0.00 C ATOM 770 CD PRO A 181 -12.079 -8.075 5.457 1.00 0.00 C ATOM 0 HA PRO A 181 -12.707 -6.225 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.771 -7.878 3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.275 -8.609 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.233 -8.168 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.556 -9.621 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.017 -7.867 6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.331 -8.837 5.237 1.00 0.00 H new ATOM 778 N CYS A 182 -14.570 -4.795 3.345 1.00 0.00 N ATOM 779 CA CYS A 182 -15.533 -3.732 3.652 1.00 0.00 C ATOM 780 C CYS A 182 -16.724 -3.879 2.705 1.00 0.00 C ATOM 781 O CYS A 182 -16.844 -4.897 2.026 1.00 0.00 O ATOM 782 CB CYS A 182 -14.882 -2.355 3.496 1.00 0.00 C ATOM 783 SG CYS A 182 -15.709 -1.121 4.526 1.00 0.00 S ATOM 0 H CYS A 182 -14.393 -4.910 2.347 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.869 -3.819 4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.829 -2.415 3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.923 -2.047 2.451 1.00 0.00 H new ATOM 788 N ALA A 183 -17.607 -2.881 2.684 1.00 0.00 N ATOM 789 CA ALA A 183 -18.798 -2.924 1.825 1.00 0.00 C ATOM 790 C ALA A 183 -18.513 -3.629 0.490 1.00 0.00 C ATOM 791 O ALA A 183 -17.360 -3.787 0.094 1.00 0.00 O ATOM 792 CB ALA A 183 -19.283 -1.501 1.549 1.00 0.00 C ATOM 0 H ALA A 183 -17.524 -2.035 3.248 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.566 -3.491 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.167 -1.535 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.534 -1.013 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.495 -0.939 1.047 1.00 0.00 H new ATOM 798 N LEU A 184 -19.593 -4.054 -0.175 1.00 0.00 N ATOM 799 CA LEU A 184 -19.528 -4.776 -1.461 1.00 0.00 C ATOM 800 C LEU A 184 -18.161 -4.668 -2.148 1.00 0.00 C ATOM 801 O LEU A 184 -17.449 -5.666 -2.273 1.00 0.00 O ATOM 802 CB LEU A 184 -20.625 -4.233 -2.396 1.00 0.00 C ATOM 803 CG LEU A 184 -21.084 -5.305 -3.406 1.00 0.00 C ATOM 804 CD1 LEU A 184 -19.876 -5.857 -4.171 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.821 -6.457 -2.687 1.00 0.00 C ATOM 0 H LEU A 184 -20.545 -3.908 0.162 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.685 -5.833 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.477 -3.900 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.249 -3.362 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.774 -4.839 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -20.210 -6.613 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -19.384 -5.046 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -19.174 -6.305 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -22.135 -7.201 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -21.152 -6.921 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -22.697 -6.063 -2.171 1.00 0.00 H new ATOM 817 N ASP A 185 -17.800 -3.467 -2.597 1.00 0.00 N ATOM 818 CA ASP A 185 -16.514 -3.254 -3.279 1.00 0.00 C ATOM 819 C ASP A 185 -15.666 -2.248 -2.514 1.00 0.00 C ATOM 820 O ASP A 185 -15.438 -1.133 -2.982 1.00 0.00 O ATOM 821 CB ASP A 185 -16.762 -2.735 -4.697 1.00 0.00 C ATOM 822 CG ASP A 185 -15.451 -2.704 -5.476 1.00 0.00 C ATOM 823 OD1 ASP A 185 -14.923 -3.769 -5.752 1.00 0.00 O ATOM 824 OD2 ASP A 185 -14.994 -1.616 -5.786 1.00 0.00 O ATOM 0 H ASP A 185 -18.372 -2.628 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.982 -4.204 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.483 -3.374 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.195 -1.735 -4.657 1.00 0.00 H new ATOM 829 N MET A 186 -15.209 -2.648 -1.330 1.00 0.00 N ATOM 830 CA MET A 186 -14.399 -1.770 -0.495 1.00 0.00 C ATOM 831 C MET A 186 -13.584 -2.576 0.515 1.00 0.00 C ATOM 832 O MET A 186 -13.882 -3.741 0.778 1.00 0.00 O ATOM 833 CB MET A 186 -15.303 -0.768 0.238 1.00 0.00 C ATOM 834 CG MET A 186 -15.848 0.284 -0.735 1.00 0.00 C ATOM 835 SD MET A 186 -16.398 1.732 0.204 1.00 0.00 S ATOM 836 CE MET A 186 -16.015 2.983 -1.046 1.00 0.00 C ATOM 0 H MET A 186 -15.385 -3.570 -0.930 1.00 0.00 H new ATOM 0 HA MET A 186 -13.705 -1.228 -1.137 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.131 -1.296 0.711 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.741 -0.278 1.033 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.077 0.570 -1.450 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.677 -0.129 -1.309 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.164 3.977 -0.624 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.978 2.875 -1.363 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.673 2.852 -1.905 1.00 0.00 H new ATOM 846 N PHE A 187 -12.551 -1.942 1.082 1.00 0.00 N ATOM 847 CA PHE A 187 -11.688 -2.599 2.074 1.00 0.00 C ATOM 848 C PHE A 187 -11.439 -1.683 3.275 1.00 0.00 C ATOM 849 O PHE A 187 -11.145 -0.499 3.117 1.00 0.00 O ATOM 850 CB PHE A 187 -10.367 -2.974 1.411 1.00 0.00 C ATOM 851 CG PHE A 187 -10.676 -3.913 0.277 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.774 -5.287 0.518 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.898 -3.407 -1.007 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.089 -6.158 -0.528 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.217 -4.275 -2.053 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.313 -5.652 -1.816 1.00 0.00 C ATOM 0 H PHE A 187 -12.292 -0.978 0.873 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.185 -3.498 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.857 -2.084 1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.699 -3.449 2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.606 -5.675 1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.823 -2.345 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.160 -7.220 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.390 -3.885 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.559 -6.324 -2.625 1.00 0.00 H new ATOM 866 N THR A 188 -11.588 -2.243 4.479 1.00 0.00 N ATOM 867 CA THR A 188 -11.408 -1.466 5.710 1.00 0.00 C ATOM 868 C THR A 188 -9.946 -1.057 5.891 1.00 0.00 C ATOM 869 O THR A 188 -9.642 -0.149 6.664 1.00 0.00 O ATOM 870 CB THR A 188 -11.873 -2.267 6.954 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.743 -2.694 7.701 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.689 -3.494 6.538 1.00 0.00 C ATOM 0 H THR A 188 -11.831 -3.222 4.628 1.00 0.00 H new ATOM 0 HA THR A 188 -12.022 -0.570 5.617 1.00 0.00 H new ATOM 0 HB THR A 188 -12.499 -1.615 7.564 1.00 0.00 H new ATOM 0 HG1 THR A 188 -11.042 -3.198 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 188 -13.004 -4.040 7.427 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.568 -3.174 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.077 -4.143 5.912 1.00 0.00 H new ATOM 880 N GLY A 189 -9.045 -1.736 5.190 1.00 0.00 N ATOM 881 CA GLY A 189 -7.625 -1.433 5.303 1.00 0.00 C ATOM 882 C GLY A 189 -6.843 -2.033 4.147 1.00 0.00 C ATOM 883 O GLY A 189 -7.338 -2.916 3.445 1.00 0.00 O ATOM 0 H GLY A 189 -9.270 -2.492 4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.481 -0.353 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.241 -1.822 6.246 1.00 0.00 H new ATOM 887 N VAL A 190 -5.617 -1.549 3.945 1.00 0.00 N ATOM 888 CA VAL A 190 -4.779 -2.053 2.857 1.00 0.00 C ATOM 889 C VAL A 190 -3.308 -2.135 3.260 1.00 0.00 C ATOM 890 O VAL A 190 -2.802 -1.285 3.994 1.00 0.00 O ATOM 891 CB VAL A 190 -4.935 -1.143 1.622 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.498 0.286 1.974 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.085 -1.674 0.437 1.00 0.00 C ATOM 0 H VAL A 190 -5.187 -0.818 4.512 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.111 -3.064 2.620 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.983 -1.141 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.609 0.926 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.119 0.667 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.454 0.280 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.210 -1.017 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.034 -1.698 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.413 -2.680 0.176 1.00 0.00 H new ATOM 903 N GLU A 191 -2.626 -3.167 2.757 1.00 0.00 N ATOM 904 CA GLU A 191 -1.203 -3.370 3.041 1.00 0.00 C ATOM 905 C GLU A 191 -0.379 -3.149 1.777 1.00 0.00 C ATOM 906 O GLU A 191 -0.788 -3.543 0.684 1.00 0.00 O ATOM 907 CB GLU A 191 -0.975 -4.789 3.584 1.00 0.00 C ATOM 908 CG GLU A 191 -1.227 -5.852 2.508 1.00 0.00 C ATOM 909 CD GLU A 191 -0.923 -7.236 3.072 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.050 -7.330 3.919 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.566 -8.182 2.648 1.00 0.00 O ATOM 0 H GLU A 191 -3.037 -3.876 2.150 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.885 -2.649 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.047 -4.878 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.636 -4.965 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.263 -5.805 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.601 -5.658 1.637 1.00 0.00 H new ATOM 918 N PHE A 192 0.786 -2.525 1.928 1.00 0.00 N ATOM 919 CA PHE A 192 1.656 -2.270 0.782 1.00 0.00 C ATOM 920 C PHE A 192 3.112 -2.175 1.216 1.00 0.00 C ATOM 921 O PHE A 192 3.420 -1.703 2.311 1.00 0.00 O ATOM 922 CB PHE A 192 1.244 -0.983 0.062 1.00 0.00 C ATOM 923 CG PHE A 192 1.122 0.167 1.038 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.045 0.217 1.931 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.079 1.192 1.035 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.075 1.290 2.823 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.955 2.265 1.926 1.00 0.00 C ATOM 928 CZ PHE A 192 0.880 2.312 2.820 1.00 0.00 C ATOM 0 H PHE A 192 1.147 -2.190 2.821 1.00 0.00 H new ATOM 0 HA PHE A 192 1.550 -3.108 0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.980 -0.739 -0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.292 -1.135 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.693 -0.572 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.910 1.154 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.905 1.328 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.690 3.057 1.923 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.787 3.139 3.509 1.00 0.00 H new ATOM 938 N VAL A 193 4.006 -2.635 0.342 1.00 0.00 N ATOM 939 CA VAL A 193 5.445 -2.613 0.628 1.00 0.00 C ATOM 940 C VAL A 193 6.117 -1.448 -0.088 1.00 0.00 C ATOM 941 O VAL A 193 5.690 -1.038 -1.166 1.00 0.00 O ATOM 942 CB VAL A 193 6.093 -3.925 0.172 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.613 -3.849 0.359 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.536 -5.084 1.003 1.00 0.00 C ATOM 0 H VAL A 193 3.763 -3.027 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 193 5.576 -2.494 1.704 1.00 0.00 H new ATOM 0 HB VAL A 193 5.869 -4.088 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.067 -4.785 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.012 -3.026 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.842 -3.682 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.996 -6.018 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.758 -4.916 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.456 -5.145 0.865 1.00 0.00 H new ATOM 954 N CYS A 194 7.181 -0.925 0.521 1.00 0.00 N ATOM 955 CA CYS A 194 7.932 0.191 -0.058 1.00 0.00 C ATOM 956 C CYS A 194 9.370 -0.230 -0.341 1.00 0.00 C ATOM 957 O CYS A 194 9.902 -1.119 0.323 1.00 0.00 O ATOM 958 CB CYS A 194 7.932 1.378 0.908 1.00 0.00 C ATOM 959 SG CYS A 194 6.305 2.169 0.895 1.00 0.00 S ATOM 0 H CYS A 194 7.543 -1.256 1.415 1.00 0.00 H new ATOM 0 HA CYS A 194 7.454 0.483 -0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.176 1.040 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.699 2.096 0.618 1.00 0.00 H new ATOM 964 N CYS A 195 9.997 0.410 -1.328 1.00 0.00 N ATOM 965 CA CYS A 195 11.382 0.087 -1.688 1.00 0.00 C ATOM 966 C CYS A 195 12.159 1.364 -2.052 1.00 0.00 C ATOM 967 O CYS A 195 11.587 2.292 -2.622 1.00 0.00 O ATOM 968 CB CYS A 195 11.380 -0.882 -2.876 1.00 0.00 C ATOM 969 SG CYS A 195 11.002 -2.553 -2.281 1.00 0.00 S ATOM 0 H CYS A 195 9.574 1.149 -1.890 1.00 0.00 H new ATOM 0 HA CYS A 195 11.873 -0.379 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.641 -0.570 -3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.351 -0.870 -3.372 1.00 0.00 H new ATOM 974 N PRO A 196 13.439 1.439 -1.738 1.00 0.00 N ATOM 975 CA PRO A 196 14.274 2.644 -2.049 1.00 0.00 C ATOM 976 C PRO A 196 14.659 2.721 -3.526 1.00 0.00 C ATOM 977 O PRO A 196 15.467 3.563 -3.921 1.00 0.00 O ATOM 978 CB PRO A 196 15.511 2.445 -1.168 1.00 0.00 C ATOM 979 CG PRO A 196 15.666 0.962 -1.086 1.00 0.00 C ATOM 980 CD PRO A 196 14.242 0.401 -1.057 1.00 0.00 C ATOM 0 HA PRO A 196 13.744 3.576 -1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.392 2.914 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.372 2.886 -0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.221 0.578 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.219 0.674 -0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.179 -0.557 -1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.898 0.235 -0.036 1.00 0.00 H new ATOM 988 N ASN A 197 14.080 1.843 -4.332 1.00 0.00 N ATOM 989 CA ASN A 197 14.374 1.824 -5.760 1.00 0.00 C ATOM 990 C ASN A 197 14.312 3.237 -6.335 1.00 0.00 C ATOM 991 O ASN A 197 13.626 4.062 -5.755 1.00 0.00 O ATOM 992 CB ASN A 197 13.361 0.927 -6.477 1.00 0.00 C ATOM 993 CG ASN A 197 13.722 -0.543 -6.287 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.823 -0.863 -5.839 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.850 -1.458 -6.606 1.00 0.00 N ATOM 996 OXT ASN A 197 14.953 3.473 -7.346 1.00 0.00 O ATOM 0 H ASN A 197 13.409 1.139 -4.026 1.00 0.00 H new ATOM 0 HA ASN A 197 15.380 1.431 -5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.360 1.115 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.341 1.168 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.079 -2.445 -6.485 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.939 -1.187 -6.977 1.00 0.00 H new