USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 331 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 181 GLN : amide:sc= 0.568 K(o=2.8,f=-2.8) USER MOD Set 1.2: A 185 LYS NZ :NH3+ -166:sc= 2.28 (180deg=1.17) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 90:sc= 1.25 USER MOD Single : A 164 ASN : amide:sc=-0.00234 X(o=-0.0023,f=-0.0027) USER MOD Single : A 169 LYS NZ :NH3+ 177:sc= 2.08 (180deg=2.02) USER MOD Single : A 173 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 LYS NZ :NH3+ 164:sc= -0.0744 (180deg=-0.364) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 0.005 4.354 10.614 1.00 0.00 N ATOM 2 CA GLY A 149 -0.069 5.429 9.630 1.00 0.00 C ATOM 3 C GLY A 149 -0.288 4.872 8.255 1.00 0.00 C ATOM 4 O GLY A 149 0.547 4.117 7.761 1.00 0.00 O ATOM 0 HA2 GLY A 149 -0.882 6.109 9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 149 0.852 6.011 9.650 1.00 0.00 H new ATOM 10 N PRO A 150 -1.409 5.201 7.607 1.00 0.00 N ATOM 11 CA PRO A 150 -1.721 4.679 6.296 1.00 0.00 C ATOM 12 C PRO A 150 -0.927 5.369 5.178 1.00 0.00 C ATOM 13 O PRO A 150 -0.903 6.597 5.065 1.00 0.00 O ATOM 14 CB PRO A 150 -3.223 4.961 6.151 1.00 0.00 C ATOM 15 CG PRO A 150 -3.473 6.162 6.989 1.00 0.00 C ATOM 16 CD PRO A 150 -2.460 6.127 8.102 1.00 0.00 C ATOM 0 HA PRO A 150 -1.461 3.624 6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -3.491 5.143 5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -3.818 4.113 6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -3.371 7.074 6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -4.487 6.152 7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -2.055 7.119 8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -2.902 5.768 9.032 1.00 0.00 H new ATOM 24 N GLY A 151 -0.239 4.577 4.420 1.00 0.00 N ATOM 25 CA GLY A 151 0.433 5.036 3.246 1.00 0.00 C ATOM 26 C GLY A 151 -0.228 4.391 2.073 1.00 0.00 C ATOM 27 O GLY A 151 -1.260 4.864 1.592 1.00 0.00 O ATOM 0 H GLY A 151 -0.126 3.580 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 151 0.375 6.122 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 151 1.491 4.775 3.282 1.00 0.00 H new ATOM 31 N SER A 152 0.265 3.231 1.685 1.00 0.00 N ATOM 32 CA SER A 152 -0.355 2.468 0.617 1.00 0.00 C ATOM 33 C SER A 152 -1.677 1.855 1.115 1.00 0.00 C ATOM 34 O SER A 152 -2.484 1.360 0.346 1.00 0.00 O ATOM 35 CB SER A 152 0.610 1.402 0.111 1.00 0.00 C ATOM 36 OG SER A 152 1.803 2.018 -0.349 1.00 0.00 O ATOM 0 H SER A 152 1.093 2.796 2.092 1.00 0.00 H new ATOM 0 HA SER A 152 -0.587 3.126 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 152 0.838 0.696 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 152 0.148 0.833 -0.696 1.00 0.00 H new ATOM 0 HG SER A 152 2.422 1.331 -0.672 1.00 0.00 H new ATOM 42 N GLU A 153 -1.890 1.936 2.409 1.00 0.00 N ATOM 43 CA GLU A 153 -3.125 1.508 3.054 1.00 0.00 C ATOM 44 C GLU A 153 -4.291 2.384 2.575 1.00 0.00 C ATOM 45 O GLU A 153 -5.442 1.998 2.647 1.00 0.00 O ATOM 46 CB GLU A 153 -3.008 1.630 4.589 1.00 0.00 C ATOM 47 CG GLU A 153 -1.987 0.709 5.279 1.00 0.00 C ATOM 48 CD GLU A 153 -0.579 0.829 4.744 1.00 0.00 C ATOM 49 OE1 GLU A 153 -0.072 1.960 4.619 1.00 0.00 O ATOM 50 OE2 GLU A 153 0.018 -0.199 4.383 1.00 0.00 O ATOM 0 H GLU A 153 -1.200 2.308 3.061 1.00 0.00 H new ATOM 0 HA GLU A 153 -3.306 0.466 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.753 2.662 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.989 1.435 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.978 0.932 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -2.317 -0.324 5.172 1.00 0.00 H new ATOM 57 N ASP A 154 -3.969 3.570 2.112 1.00 0.00 N ATOM 58 CA ASP A 154 -4.965 4.489 1.571 1.00 0.00 C ATOM 59 C ASP A 154 -4.674 4.762 0.105 1.00 0.00 C ATOM 60 O ASP A 154 -5.585 4.846 -0.732 1.00 0.00 O ATOM 61 CB ASP A 154 -4.980 5.798 2.367 1.00 0.00 C ATOM 62 CG ASP A 154 -5.886 6.850 1.759 1.00 0.00 C ATOM 63 OD1 ASP A 154 -7.113 6.655 1.726 1.00 0.00 O ATOM 64 OD2 ASP A 154 -5.375 7.912 1.333 1.00 0.00 O ATOM 0 H ASP A 154 -3.015 3.931 2.096 1.00 0.00 H new ATOM 0 HA ASP A 154 -5.949 4.029 1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.304 5.593 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -3.965 6.191 2.428 1.00 0.00 H new ATOM 69 N ASP A 155 -3.396 4.861 -0.207 1.00 0.00 N ATOM 70 CA ASP A 155 -2.938 5.135 -1.565 1.00 0.00 C ATOM 71 C ASP A 155 -3.075 3.970 -2.523 1.00 0.00 C ATOM 72 O ASP A 155 -2.937 4.145 -3.725 1.00 0.00 O ATOM 73 CB ASP A 155 -1.528 5.706 -1.584 1.00 0.00 C ATOM 74 CG ASP A 155 -1.525 7.198 -1.400 1.00 0.00 C ATOM 75 OD1 ASP A 155 -1.739 7.691 -0.272 1.00 0.00 O ATOM 76 OD2 ASP A 155 -1.323 7.915 -2.391 1.00 0.00 O ATOM 0 H ASP A 155 -2.642 4.754 0.471 1.00 0.00 H new ATOM 0 HA ASP A 155 -3.622 5.897 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -0.938 5.242 -0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -1.048 5.456 -2.530 1.00 0.00 H new ATOM 81 N ASP A 156 -3.325 2.787 -2.018 1.00 0.00 N ATOM 82 CA ASP A 156 -3.575 1.661 -2.907 1.00 0.00 C ATOM 83 C ASP A 156 -5.064 1.431 -3.012 1.00 0.00 C ATOM 84 O ASP A 156 -5.727 2.089 -3.819 1.00 0.00 O ATOM 85 CB ASP A 156 -2.813 0.378 -2.498 1.00 0.00 C ATOM 86 CG ASP A 156 -3.023 -0.780 -3.460 1.00 0.00 C ATOM 87 OD1 ASP A 156 -2.292 -0.881 -4.461 1.00 0.00 O ATOM 88 OD2 ASP A 156 -3.916 -1.609 -3.229 1.00 0.00 O ATOM 0 H ASP A 156 -3.362 2.573 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 156 -3.182 1.916 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -1.748 0.601 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -3.134 0.076 -1.501 1.00 0.00 H new ATOM 93 N ILE A 157 -5.587 0.578 -2.140 1.00 0.00 N ATOM 94 CA ILE A 157 -7.008 0.238 -2.045 1.00 0.00 C ATOM 95 C ILE A 157 -7.577 -0.406 -3.343 1.00 0.00 C ATOM 96 O ILE A 157 -7.280 0.011 -4.468 1.00 0.00 O ATOM 97 CB ILE A 157 -7.824 1.474 -1.579 1.00 0.00 C ATOM 98 CG1 ILE A 157 -7.496 1.827 -0.114 1.00 0.00 C ATOM 99 CG2 ILE A 157 -9.330 1.315 -1.770 1.00 0.00 C ATOM 100 CD1 ILE A 157 -7.855 0.739 0.892 1.00 0.00 C ATOM 0 H ILE A 157 -5.016 0.085 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 157 -7.108 -0.540 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 157 -7.519 2.299 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -6.430 2.041 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -8.025 2.741 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -9.838 2.215 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -9.548 1.159 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -9.681 0.457 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -7.591 1.070 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -8.926 0.539 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -7.306 -0.172 0.654 1.00 0.00 H new ATOM 112 N ASP A 158 -8.361 -1.452 -3.177 1.00 0.00 N ATOM 113 CA ASP A 158 -8.971 -2.152 -4.305 1.00 0.00 C ATOM 114 C ASP A 158 -10.097 -1.311 -4.929 1.00 0.00 C ATOM 115 O ASP A 158 -11.236 -1.308 -4.472 1.00 0.00 O ATOM 116 CB ASP A 158 -9.459 -3.575 -3.903 1.00 0.00 C ATOM 117 CG ASP A 158 -10.483 -3.582 -2.778 1.00 0.00 C ATOM 118 OD1 ASP A 158 -10.141 -3.170 -1.643 1.00 0.00 O ATOM 119 OD2 ASP A 158 -11.634 -4.002 -2.996 1.00 0.00 O ATOM 0 H ASP A 158 -8.596 -1.844 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 158 -8.204 -2.289 -5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -9.892 -4.060 -4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -8.598 -4.171 -3.601 1.00 0.00 H new ATOM 124 N LEU A 159 -9.741 -0.538 -5.926 1.00 0.00 N ATOM 125 CA LEU A 159 -10.696 0.316 -6.613 1.00 0.00 C ATOM 126 C LEU A 159 -11.054 -0.299 -7.950 1.00 0.00 C ATOM 127 O LEU A 159 -12.212 -0.562 -8.242 1.00 0.00 O ATOM 128 CB LEU A 159 -10.087 1.705 -6.818 1.00 0.00 C ATOM 129 CG LEU A 159 -9.672 2.452 -5.546 1.00 0.00 C ATOM 130 CD1 LEU A 159 -8.961 3.737 -5.903 1.00 0.00 C ATOM 131 CD2 LEU A 159 -10.887 2.749 -4.676 1.00 0.00 C ATOM 0 H LEU A 159 -8.789 -0.479 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 159 -11.600 0.411 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.211 1.605 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.808 2.320 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 159 -8.990 1.816 -4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -8.671 4.258 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -8.071 3.509 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -9.628 4.371 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -10.571 3.280 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -11.591 3.367 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.370 1.813 -4.393 1.00 0.00 H new ATOM 143 N PHE A 160 -10.035 -0.575 -8.734 1.00 0.00 N ATOM 144 CA PHE A 160 -10.186 -1.200 -10.033 1.00 0.00 C ATOM 145 C PHE A 160 -10.029 -2.706 -9.899 1.00 0.00 C ATOM 146 O PHE A 160 -9.962 -3.446 -10.888 1.00 0.00 O ATOM 147 CB PHE A 160 -9.190 -0.615 -11.038 1.00 0.00 C ATOM 148 CG PHE A 160 -9.449 0.841 -11.345 1.00 0.00 C ATOM 149 CD1 PHE A 160 -10.296 1.198 -12.379 1.00 0.00 C ATOM 150 CD2 PHE A 160 -8.858 1.845 -10.595 1.00 0.00 C ATOM 151 CE1 PHE A 160 -10.552 2.521 -12.661 1.00 0.00 C ATOM 152 CE2 PHE A 160 -9.109 3.173 -10.873 1.00 0.00 C ATOM 153 CZ PHE A 160 -9.958 3.512 -11.908 1.00 0.00 C ATOM 0 H PHE A 160 -9.067 -0.370 -8.486 1.00 0.00 H new ATOM 0 HA PHE A 160 -11.186 -0.993 -10.415 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -8.179 -0.724 -10.645 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -9.236 -1.190 -11.963 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -10.763 0.427 -12.974 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -8.194 1.585 -9.784 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -11.217 2.782 -13.471 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -8.642 3.947 -10.282 1.00 0.00 H new ATOM 0 HZ PHE A 160 -10.156 4.551 -12.127 1.00 0.00 H new ATOM 163 N GLY A 161 -9.956 -3.139 -8.659 1.00 0.00 N ATOM 164 CA GLY A 161 -9.944 -4.531 -8.344 1.00 0.00 C ATOM 165 C GLY A 161 -11.369 -4.985 -8.178 1.00 0.00 C ATOM 166 O GLY A 161 -12.258 -4.150 -7.938 1.00 0.00 O ATOM 0 H GLY A 161 -9.904 -2.525 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.454 -5.096 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -9.379 -4.709 -7.429 1.00 0.00 H new ATOM 170 N SER A 162 -11.604 -6.259 -8.286 1.00 0.00 N ATOM 171 CA SER A 162 -12.949 -6.785 -8.228 1.00 0.00 C ATOM 172 C SER A 162 -13.558 -6.603 -6.822 1.00 0.00 C ATOM 173 O SER A 162 -14.684 -6.127 -6.678 1.00 0.00 O ATOM 174 CB SER A 162 -12.900 -8.248 -8.604 1.00 0.00 C ATOM 175 OG SER A 162 -12.075 -8.435 -9.753 1.00 0.00 O ATOM 0 H SER A 162 -10.879 -6.965 -8.416 1.00 0.00 H new ATOM 0 HA SER A 162 -13.586 -6.240 -8.925 1.00 0.00 H new ATOM 0 HB2 SER A 162 -12.512 -8.832 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 162 -13.907 -8.612 -8.807 1.00 0.00 H new ATOM 0 HG SER A 162 -11.149 -8.585 -9.470 1.00 0.00 H new ATOM 181 N ASP A 163 -12.780 -6.958 -5.816 1.00 0.00 N ATOM 182 CA ASP A 163 -13.143 -6.899 -4.395 1.00 0.00 C ATOM 183 C ASP A 163 -11.935 -7.412 -3.674 1.00 0.00 C ATOM 184 O ASP A 163 -11.258 -8.240 -4.227 1.00 0.00 O ATOM 185 CB ASP A 163 -14.324 -7.828 -4.107 1.00 0.00 C ATOM 186 CG ASP A 163 -14.729 -7.846 -2.667 1.00 0.00 C ATOM 187 OD1 ASP A 163 -14.181 -8.648 -1.901 1.00 0.00 O ATOM 188 OD2 ASP A 163 -15.610 -7.068 -2.281 1.00 0.00 O ATOM 0 H ASP A 163 -11.835 -7.312 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 163 -13.430 -5.892 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -15.176 -7.519 -4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -14.064 -8.840 -4.416 1.00 0.00 H new ATOM 193 N ASN A 164 -11.654 -6.976 -2.479 1.00 0.00 N ATOM 194 CA ASN A 164 -10.400 -7.391 -1.831 1.00 0.00 C ATOM 195 C ASN A 164 -10.452 -8.816 -1.337 1.00 0.00 C ATOM 196 O ASN A 164 -9.434 -9.521 -1.320 1.00 0.00 O ATOM 197 CB ASN A 164 -9.956 -6.439 -0.722 1.00 0.00 C ATOM 198 CG ASN A 164 -8.581 -6.807 -0.152 1.00 0.00 C ATOM 199 OD1 ASN A 164 -8.461 -7.527 0.828 1.00 0.00 O ATOM 200 ND2 ASN A 164 -7.548 -6.340 -0.787 1.00 0.00 N ATOM 0 H ASN A 164 -12.244 -6.351 -1.930 1.00 0.00 H new ATOM 0 HA ASN A 164 -9.641 -7.341 -2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -9.924 -5.421 -1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -10.694 -6.451 0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -6.607 -6.572 -0.470 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -7.678 -5.741 -1.602 1.00 0.00 H new ATOM 207 N GLU A 165 -11.619 -9.266 -0.990 1.00 0.00 N ATOM 208 CA GLU A 165 -11.754 -10.609 -0.514 1.00 0.00 C ATOM 209 C GLU A 165 -11.832 -11.570 -1.682 1.00 0.00 C ATOM 210 O GLU A 165 -11.421 -12.724 -1.586 1.00 0.00 O ATOM 211 CB GLU A 165 -12.955 -10.798 0.426 1.00 0.00 C ATOM 212 CG GLU A 165 -12.798 -10.229 1.840 1.00 0.00 C ATOM 213 CD GLU A 165 -12.621 -8.734 1.902 1.00 0.00 C ATOM 214 OE1 GLU A 165 -13.555 -7.992 1.519 1.00 0.00 O ATOM 215 OE2 GLU A 165 -11.552 -8.272 2.366 1.00 0.00 O ATOM 0 H GLU A 165 -12.485 -8.729 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 165 -10.865 -10.827 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -13.828 -10.336 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -13.164 -11.865 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -13.676 -10.502 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -11.938 -10.703 2.314 1.00 0.00 H new ATOM 222 N GLU A 166 -12.327 -11.085 -2.795 1.00 0.00 N ATOM 223 CA GLU A 166 -12.466 -11.915 -3.970 1.00 0.00 C ATOM 224 C GLU A 166 -11.130 -11.936 -4.739 1.00 0.00 C ATOM 225 O GLU A 166 -10.692 -12.970 -5.218 1.00 0.00 O ATOM 226 CB GLU A 166 -13.693 -11.431 -4.800 1.00 0.00 C ATOM 227 CG GLU A 166 -13.434 -10.600 -6.026 1.00 0.00 C ATOM 228 CD GLU A 166 -13.292 -11.397 -7.303 1.00 0.00 C ATOM 229 OE1 GLU A 166 -12.197 -11.847 -7.637 1.00 0.00 O ATOM 230 OE2 GLU A 166 -14.306 -11.553 -8.019 1.00 0.00 O ATOM 0 H GLU A 166 -12.640 -10.122 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.675 -12.953 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -14.257 -12.312 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -14.338 -10.855 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.250 -9.887 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -12.524 -10.020 -5.871 1.00 0.00 H new ATOM 237 N GLU A 167 -10.452 -10.790 -4.767 1.00 0.00 N ATOM 238 CA GLU A 167 -9.155 -10.631 -5.424 1.00 0.00 C ATOM 239 C GLU A 167 -8.026 -11.080 -4.469 1.00 0.00 C ATOM 240 O GLU A 167 -6.860 -10.706 -4.644 1.00 0.00 O ATOM 241 CB GLU A 167 -8.943 -9.175 -5.747 1.00 0.00 C ATOM 242 CG GLU A 167 -8.050 -8.922 -6.933 1.00 0.00 C ATOM 243 CD GLU A 167 -8.748 -9.177 -8.246 1.00 0.00 C ATOM 244 OE1 GLU A 167 -9.657 -8.399 -8.613 1.00 0.00 O ATOM 245 OE2 GLU A 167 -8.414 -10.168 -8.943 1.00 0.00 O ATOM 0 H GLU A 167 -10.792 -9.934 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.139 -11.235 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.912 -8.712 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -8.516 -8.681 -4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -7.699 -7.890 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.169 -9.560 -6.863 1.00 0.00 H new ATOM 252 N ASP A 168 -8.386 -11.869 -3.469 1.00 0.00 N ATOM 253 CA ASP A 168 -7.443 -12.414 -2.452 1.00 0.00 C ATOM 254 C ASP A 168 -6.250 -13.092 -3.121 1.00 0.00 C ATOM 255 O ASP A 168 -5.127 -13.066 -2.602 1.00 0.00 O ATOM 256 CB ASP A 168 -8.150 -13.399 -1.532 1.00 0.00 C ATOM 257 CG ASP A 168 -7.301 -13.838 -0.362 1.00 0.00 C ATOM 258 OD1 ASP A 168 -7.343 -13.178 0.684 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.627 -14.882 -0.439 1.00 0.00 O ATOM 0 H ASP A 168 -9.351 -12.165 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 168 -7.079 -11.577 -1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -9.066 -12.942 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.445 -14.276 -2.108 1.00 0.00 H new ATOM 264 N LYS A 169 -6.517 -13.703 -4.271 1.00 0.00 N ATOM 265 CA LYS A 169 -5.489 -14.227 -5.176 1.00 0.00 C ATOM 266 C LYS A 169 -4.341 -13.203 -5.340 1.00 0.00 C ATOM 267 O LYS A 169 -3.200 -13.478 -4.996 1.00 0.00 O ATOM 268 CB LYS A 169 -6.123 -14.517 -6.555 1.00 0.00 C ATOM 269 CG LYS A 169 -7.264 -13.551 -6.892 1.00 0.00 C ATOM 270 CD LYS A 169 -7.441 -13.271 -8.364 1.00 0.00 C ATOM 271 CE LYS A 169 -6.227 -12.581 -8.953 1.00 0.00 C ATOM 272 NZ LYS A 169 -6.566 -11.903 -10.212 1.00 0.00 N ATOM 0 H LYS A 169 -7.468 -13.852 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.081 -15.146 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.355 -14.450 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.501 -15.539 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.195 -13.960 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.087 -12.608 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -7.620 -14.207 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -8.322 -12.647 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.834 -11.856 -8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.439 -13.313 -9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -5.731 -11.396 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.870 -12.607 -10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -7.337 -11.225 -10.045 1.00 0.00 H new ATOM 286 N GLU A 170 -4.682 -11.990 -5.764 1.00 0.00 N ATOM 287 CA GLU A 170 -3.700 -10.964 -5.983 1.00 0.00 C ATOM 288 C GLU A 170 -3.224 -10.319 -4.735 1.00 0.00 C ATOM 289 O GLU A 170 -2.160 -9.739 -4.733 1.00 0.00 O ATOM 290 CB GLU A 170 -4.081 -9.960 -7.044 1.00 0.00 C ATOM 291 CG GLU A 170 -3.469 -10.311 -8.373 1.00 0.00 C ATOM 292 CD GLU A 170 -3.945 -9.460 -9.511 1.00 0.00 C ATOM 293 OE1 GLU A 170 -3.529 -8.302 -9.617 1.00 0.00 O ATOM 294 OE2 GLU A 170 -4.746 -9.949 -10.341 1.00 0.00 O ATOM 0 H GLU A 170 -5.641 -11.704 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.843 -11.502 -6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.166 -9.922 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.753 -8.966 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.385 -10.223 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.689 -11.355 -8.598 1.00 0.00 H new ATOM 301 N ALA A 171 -3.994 -10.409 -3.671 1.00 0.00 N ATOM 302 CA ALA A 171 -3.520 -9.927 -2.389 1.00 0.00 C ATOM 303 C ALA A 171 -2.232 -10.665 -2.060 1.00 0.00 C ATOM 304 O ALA A 171 -1.234 -10.055 -1.727 1.00 0.00 O ATOM 305 CB ALA A 171 -4.567 -10.130 -1.297 1.00 0.00 C ATOM 0 H ALA A 171 -4.934 -10.804 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.333 -8.854 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.180 -9.758 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.475 -9.585 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.795 -11.192 -1.204 1.00 0.00 H new ATOM 311 N ALA A 172 -2.257 -11.967 -2.282 1.00 0.00 N ATOM 312 CA ALA A 172 -1.129 -12.832 -2.082 1.00 0.00 C ATOM 313 C ALA A 172 -0.095 -12.653 -3.196 1.00 0.00 C ATOM 314 O ALA A 172 1.071 -12.430 -2.912 1.00 0.00 O ATOM 315 CB ALA A 172 -1.591 -14.277 -2.015 1.00 0.00 C ATOM 0 H ALA A 172 -3.088 -12.456 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.654 -12.566 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.730 -14.928 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.288 -14.398 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.087 -14.544 -2.948 1.00 0.00 H new ATOM 321 N GLN A 173 -0.536 -12.741 -4.463 1.00 0.00 N ATOM 322 CA GLN A 173 0.356 -12.632 -5.621 1.00 0.00 C ATOM 323 C GLN A 173 1.163 -11.357 -5.633 1.00 0.00 C ATOM 324 O GLN A 173 2.383 -11.408 -5.590 1.00 0.00 O ATOM 325 CB GLN A 173 -0.408 -12.756 -6.913 1.00 0.00 C ATOM 326 CG GLN A 173 -1.003 -14.120 -7.106 1.00 0.00 C ATOM 327 CD GLN A 173 -1.639 -14.301 -8.442 1.00 0.00 C ATOM 328 OE1 GLN A 173 -2.143 -13.359 -9.057 1.00 0.00 O ATOM 329 NE2 GLN A 173 -1.626 -15.502 -8.904 1.00 0.00 N ATOM 0 H GLN A 173 -1.515 -12.889 -4.708 1.00 0.00 H new ATOM 0 HA GLN A 173 1.057 -13.462 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.204 -12.011 -6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.258 -12.533 -7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -0.223 -14.871 -6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.747 -14.298 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -1.198 -16.252 -8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.044 -15.703 -9.813 1.00 0.00 H new ATOM 338 N LEU A 174 0.481 -10.219 -5.654 1.00 0.00 N ATOM 339 CA LEU A 174 1.145 -8.901 -5.679 1.00 0.00 C ATOM 340 C LEU A 174 2.098 -8.765 -4.515 1.00 0.00 C ATOM 341 O LEU A 174 3.244 -8.333 -4.670 1.00 0.00 O ATOM 342 CB LEU A 174 0.104 -7.801 -5.605 1.00 0.00 C ATOM 343 CG LEU A 174 -0.918 -7.792 -6.735 1.00 0.00 C ATOM 344 CD1 LEU A 174 -1.991 -6.746 -6.475 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.245 -7.524 -8.069 1.00 0.00 C ATOM 0 H LEU A 174 -0.538 -10.172 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 174 1.707 -8.815 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.428 -7.890 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.616 -6.839 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.386 -8.776 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.712 -6.754 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.501 -6.973 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.530 -5.761 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.994 -7.522 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.252 -6.554 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.491 -8.303 -8.268 1.00 0.00 H new ATOM 357 N ARG A 175 1.616 -9.159 -3.361 1.00 0.00 N ATOM 358 CA ARG A 175 2.398 -9.166 -2.133 1.00 0.00 C ATOM 359 C ARG A 175 3.678 -9.994 -2.270 1.00 0.00 C ATOM 360 O ARG A 175 4.776 -9.521 -1.950 1.00 0.00 O ATOM 361 CB ARG A 175 1.551 -9.733 -1.012 1.00 0.00 C ATOM 362 CG ARG A 175 2.279 -9.991 0.276 1.00 0.00 C ATOM 363 CD ARG A 175 1.392 -10.748 1.211 1.00 0.00 C ATOM 364 NE ARG A 175 2.036 -11.016 2.491 1.00 0.00 N ATOM 365 CZ ARG A 175 1.404 -11.418 3.595 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.088 -11.584 3.589 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.097 -11.630 4.705 1.00 0.00 N ATOM 0 H ARG A 175 0.659 -9.489 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 175 2.691 -8.139 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.731 -9.043 -0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.106 -10.668 -1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.190 -10.558 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.581 -9.047 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.477 -10.180 1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.102 -11.691 0.749 1.00 0.00 H new ATOM 0 HE ARG A 175 3.046 -10.886 2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.445 -11.404 2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -0.391 -11.892 4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.107 -11.486 4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 175 1.620 -11.937 5.553 1.00 0.00 H new ATOM 381 N GLU A 176 3.543 -11.207 -2.763 1.00 0.00 N ATOM 382 CA GLU A 176 4.660 -12.109 -2.835 1.00 0.00 C ATOM 383 C GLU A 176 5.635 -11.673 -3.920 1.00 0.00 C ATOM 384 O GLU A 176 6.837 -11.832 -3.783 1.00 0.00 O ATOM 385 CB GLU A 176 4.186 -13.569 -2.981 1.00 0.00 C ATOM 386 CG GLU A 176 3.712 -14.006 -4.370 1.00 0.00 C ATOM 387 CD GLU A 176 4.759 -14.818 -5.105 1.00 0.00 C ATOM 388 OE1 GLU A 176 5.593 -14.246 -5.818 1.00 0.00 O ATOM 389 OE2 GLU A 176 4.753 -16.062 -4.981 1.00 0.00 O ATOM 0 H GLU A 176 2.666 -11.587 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 176 5.211 -12.068 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.004 -14.223 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.371 -13.733 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.801 -14.596 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.459 -13.125 -4.959 1.00 0.00 H new ATOM 396 N GLU A 177 5.114 -11.065 -4.968 1.00 0.00 N ATOM 397 CA GLU A 177 5.952 -10.548 -6.025 1.00 0.00 C ATOM 398 C GLU A 177 6.804 -9.395 -5.517 1.00 0.00 C ATOM 399 O GLU A 177 7.933 -9.199 -5.964 1.00 0.00 O ATOM 400 CB GLU A 177 5.136 -10.173 -7.257 1.00 0.00 C ATOM 401 CG GLU A 177 4.467 -11.380 -7.888 1.00 0.00 C ATOM 402 CD GLU A 177 3.740 -11.068 -9.161 1.00 0.00 C ATOM 403 OE1 GLU A 177 4.405 -10.965 -10.217 1.00 0.00 O ATOM 404 OE2 GLU A 177 2.507 -10.980 -9.159 1.00 0.00 O ATOM 0 H GLU A 177 4.114 -10.918 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 177 6.632 -11.339 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.377 -9.442 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.786 -9.695 -7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.222 -12.140 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.764 -11.809 -7.174 1.00 0.00 H new ATOM 411 N ARG A 178 6.285 -8.676 -4.537 1.00 0.00 N ATOM 412 CA ARG A 178 7.032 -7.609 -3.887 1.00 0.00 C ATOM 413 C ARG A 178 8.218 -8.175 -3.107 1.00 0.00 C ATOM 414 O ARG A 178 9.317 -7.619 -3.145 1.00 0.00 O ATOM 415 CB ARG A 178 6.140 -6.789 -2.967 1.00 0.00 C ATOM 416 CG ARG A 178 5.116 -5.939 -3.692 1.00 0.00 C ATOM 417 CD ARG A 178 4.193 -5.234 -2.716 1.00 0.00 C ATOM 418 NE ARG A 178 4.922 -4.381 -1.764 1.00 0.00 N ATOM 419 CZ ARG A 178 4.348 -3.531 -0.901 1.00 0.00 C ATOM 420 NH1 ARG A 178 3.009 -3.397 -0.864 1.00 0.00 N ATOM 421 NH2 ARG A 178 5.111 -2.820 -0.081 1.00 0.00 N ATOM 0 H ARG A 178 5.343 -8.812 -4.171 1.00 0.00 H new ATOM 0 HA ARG A 178 7.410 -6.950 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.620 -7.464 -2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.767 -6.140 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.626 -5.201 -4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.529 -6.566 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.480 -4.625 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.617 -5.977 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 178 5.940 -4.441 -1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 178 2.424 -3.944 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 178 2.579 -2.748 -0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 178 6.125 -2.923 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 178 4.683 -2.171 0.579 1.00 0.00 H new ATOM 435 N LEU A 179 8.019 -9.309 -2.442 1.00 0.00 N ATOM 436 CA LEU A 179 9.116 -9.914 -1.697 1.00 0.00 C ATOM 437 C LEU A 179 10.143 -10.550 -2.642 1.00 0.00 C ATOM 438 O LEU A 179 11.308 -10.763 -2.262 1.00 0.00 O ATOM 439 CB LEU A 179 8.628 -10.866 -0.555 1.00 0.00 C ATOM 440 CG LEU A 179 7.775 -12.100 -0.920 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.606 -13.234 -1.513 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.980 -12.582 0.286 1.00 0.00 C ATOM 0 H LEU A 179 7.134 -9.815 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 179 9.637 -9.112 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 179 9.511 -11.222 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 179 8.053 -10.266 0.150 1.00 0.00 H new ATOM 0 HG LEU A 179 7.078 -11.784 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.956 -14.076 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 179 9.098 -12.888 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 179 9.359 -13.550 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 179 6.386 -13.452 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.666 -12.853 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 179 6.318 -11.786 0.627 1.00 0.00 H new ATOM 454 N ARG A 180 9.706 -10.852 -3.870 1.00 0.00 N ATOM 455 CA ARG A 180 10.608 -11.329 -4.912 1.00 0.00 C ATOM 456 C ARG A 180 11.526 -10.174 -5.289 1.00 0.00 C ATOM 457 O ARG A 180 12.735 -10.333 -5.393 1.00 0.00 O ATOM 458 CB ARG A 180 9.846 -11.760 -6.175 1.00 0.00 C ATOM 459 CG ARG A 180 8.760 -12.802 -5.979 1.00 0.00 C ATOM 460 CD ARG A 180 9.277 -14.134 -5.484 1.00 0.00 C ATOM 461 NE ARG A 180 8.170 -15.086 -5.330 1.00 0.00 N ATOM 462 CZ ARG A 180 8.290 -16.404 -5.139 1.00 0.00 C ATOM 463 NH1 ARG A 180 9.493 -16.974 -5.092 1.00 0.00 N ATOM 464 NH2 ARG A 180 7.200 -17.149 -5.018 1.00 0.00 N ATOM 0 H ARG A 180 8.732 -10.773 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 180 11.156 -12.191 -4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.394 -10.874 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.567 -12.148 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 180 8.027 -12.420 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.239 -12.953 -6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 180 10.011 -14.530 -6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.787 -14.002 -4.530 1.00 0.00 H new ATOM 0 HE ARG A 180 7.224 -14.708 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 180 10.332 -16.404 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 180 9.575 -17.980 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 180 6.278 -16.716 -5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 180 7.283 -18.155 -4.872 1.00 0.00 H new ATOM 478 N GLN A 181 10.924 -8.992 -5.473 1.00 0.00 N ATOM 479 CA GLN A 181 11.660 -7.769 -5.798 1.00 0.00 C ATOM 480 C GLN A 181 12.679 -7.490 -4.726 1.00 0.00 C ATOM 481 O GLN A 181 13.855 -7.266 -5.007 1.00 0.00 O ATOM 482 CB GLN A 181 10.711 -6.570 -5.911 1.00 0.00 C ATOM 483 CG GLN A 181 9.655 -6.711 -6.983 1.00 0.00 C ATOM 484 CD GLN A 181 10.257 -6.959 -8.336 1.00 0.00 C ATOM 485 OE1 GLN A 181 10.459 -8.109 -8.744 1.00 0.00 O ATOM 486 NE2 GLN A 181 10.568 -5.911 -9.033 1.00 0.00 N ATOM 0 H GLN A 181 9.915 -8.859 -5.400 1.00 0.00 H new ATOM 0 HA GLN A 181 12.156 -7.916 -6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 181 10.219 -6.419 -4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.299 -5.674 -6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 181 8.986 -7.533 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 181 9.049 -5.806 -7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 181 10.385 -4.979 -8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 181 10.995 -6.019 -9.953 1.00 0.00 H new ATOM 495 N TYR A 182 12.214 -7.554 -3.507 1.00 0.00 N ATOM 496 CA TYR A 182 13.016 -7.329 -2.333 1.00 0.00 C ATOM 497 C TYR A 182 14.239 -8.267 -2.284 1.00 0.00 C ATOM 498 O TYR A 182 15.373 -7.809 -2.284 1.00 0.00 O ATOM 499 CB TYR A 182 12.134 -7.499 -1.088 1.00 0.00 C ATOM 500 CG TYR A 182 12.840 -7.304 0.223 1.00 0.00 C ATOM 501 CD1 TYR A 182 13.213 -6.041 0.648 1.00 0.00 C ATOM 502 CD2 TYR A 182 13.141 -8.384 1.036 1.00 0.00 C ATOM 503 CE1 TYR A 182 13.859 -5.856 1.847 1.00 0.00 C ATOM 504 CE2 TYR A 182 13.785 -8.210 2.233 1.00 0.00 C ATOM 505 CZ TYR A 182 14.143 -6.943 2.634 1.00 0.00 C ATOM 506 OH TYR A 182 14.803 -6.767 3.833 1.00 0.00 O ATOM 0 H TYR A 182 11.240 -7.770 -3.297 1.00 0.00 H new ATOM 0 HA TYR A 182 13.409 -6.313 -2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 182 11.308 -6.790 -1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.699 -8.498 -1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 182 12.993 -5.186 0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 182 12.864 -9.379 0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 182 14.141 -4.864 2.167 1.00 0.00 H new ATOM 0 HE2 TYR A 182 14.010 -9.062 2.858 1.00 0.00 H new ATOM 0 HH TYR A 182 14.926 -7.636 4.269 1.00 0.00 H new ATOM 516 N ALA A 183 14.006 -9.557 -2.296 1.00 0.00 N ATOM 517 CA ALA A 183 15.094 -10.508 -2.156 1.00 0.00 C ATOM 518 C ALA A 183 15.973 -10.605 -3.406 1.00 0.00 C ATOM 519 O ALA A 183 17.191 -10.448 -3.330 1.00 0.00 O ATOM 520 CB ALA A 183 14.565 -11.873 -1.767 1.00 0.00 C ATOM 0 H ALA A 183 13.082 -9.975 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 183 15.733 -10.131 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 183 15.397 -12.571 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 183 14.036 -11.801 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.881 -12.231 -2.537 1.00 0.00 H new ATOM 526 N GLU A 184 15.373 -10.819 -4.547 1.00 0.00 N ATOM 527 CA GLU A 184 16.137 -11.064 -5.755 1.00 0.00 C ATOM 528 C GLU A 184 16.741 -9.785 -6.315 1.00 0.00 C ATOM 529 O GLU A 184 17.946 -9.712 -6.554 1.00 0.00 O ATOM 530 CB GLU A 184 15.262 -11.691 -6.805 1.00 0.00 C ATOM 531 CG GLU A 184 14.551 -12.927 -6.355 1.00 0.00 C ATOM 532 CD GLU A 184 13.537 -13.370 -7.362 1.00 0.00 C ATOM 533 OE1 GLU A 184 12.628 -12.576 -7.696 1.00 0.00 O ATOM 534 OE2 GLU A 184 13.625 -14.512 -7.847 1.00 0.00 O ATOM 0 H GLU A 184 14.361 -10.830 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 184 16.949 -11.740 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.523 -10.959 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 184 15.874 -11.934 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.275 -13.725 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 184 14.060 -12.739 -5.400 1.00 0.00 H new ATOM 541 N LYS A 185 15.914 -8.771 -6.486 1.00 0.00 N ATOM 542 CA LYS A 185 16.349 -7.551 -7.142 1.00 0.00 C ATOM 543 C LYS A 185 17.104 -6.579 -6.245 1.00 0.00 C ATOM 544 O LYS A 185 17.931 -5.795 -6.734 1.00 0.00 O ATOM 545 CB LYS A 185 15.231 -6.847 -7.950 1.00 0.00 C ATOM 546 CG LYS A 185 14.982 -7.414 -9.365 1.00 0.00 C ATOM 547 CD LYS A 185 13.649 -8.163 -9.531 1.00 0.00 C ATOM 548 CE LYS A 185 13.585 -9.452 -8.735 1.00 0.00 C ATOM 549 NZ LYS A 185 12.347 -10.224 -8.998 1.00 0.00 N ATOM 0 H LYS A 185 14.941 -8.767 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 185 17.083 -7.904 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 185 14.302 -6.909 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 185 15.481 -5.790 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 185 15.014 -6.593 -10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 185 15.798 -8.091 -9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 185 12.832 -7.511 -9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 185 13.495 -8.387 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 185 14.451 -10.068 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 185 13.646 -9.221 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 12.236 -10.960 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 11.527 -9.585 -8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 12.409 -10.670 -9.936 1.00 0.00 H new ATOM 563 N LYS A 186 16.841 -6.594 -4.963 1.00 0.00 N ATOM 564 CA LYS A 186 17.562 -5.701 -4.085 1.00 0.00 C ATOM 565 C LYS A 186 18.886 -6.263 -3.613 1.00 0.00 C ATOM 566 O LYS A 186 19.845 -5.514 -3.468 1.00 0.00 O ATOM 567 CB LYS A 186 16.726 -5.180 -2.903 1.00 0.00 C ATOM 568 CG LYS A 186 15.873 -3.947 -3.207 1.00 0.00 C ATOM 569 CD LYS A 186 14.873 -4.174 -4.321 1.00 0.00 C ATOM 570 CE LYS A 186 14.083 -2.912 -4.612 1.00 0.00 C ATOM 571 NZ LYS A 186 14.956 -1.798 -5.051 1.00 0.00 N ATOM 0 H LYS A 186 16.153 -7.196 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 186 17.785 -4.838 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 186 16.071 -5.981 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 186 17.398 -4.943 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 186 15.340 -3.650 -2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 186 16.527 -3.118 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 186 15.395 -4.496 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 186 14.191 -4.978 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 186 13.343 -3.118 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 186 13.536 -2.613 -3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 14.376 -1.056 -5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 15.455 -1.403 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 15.650 -2.152 -5.740 1.00 0.00 H new ATOM 585 N ALA A 187 18.969 -7.565 -3.394 1.00 0.00 N ATOM 586 CA ALA A 187 20.196 -8.129 -2.846 1.00 0.00 C ATOM 587 C ALA A 187 21.378 -8.101 -3.824 1.00 0.00 C ATOM 588 O ALA A 187 22.387 -7.458 -3.544 1.00 0.00 O ATOM 589 CB ALA A 187 19.975 -9.523 -2.317 1.00 0.00 C ATOM 0 H ALA A 187 18.225 -8.237 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 187 20.469 -7.478 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.911 -9.913 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 187 19.224 -9.498 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.630 -10.168 -3.125 1.00 0.00 H new ATOM 595 N LYS A 188 21.259 -8.761 -4.974 1.00 0.00 N ATOM 596 CA LYS A 188 22.376 -8.815 -5.919 1.00 0.00 C ATOM 597 C LYS A 188 21.909 -8.759 -7.366 1.00 0.00 C ATOM 598 O LYS A 188 21.559 -9.789 -7.953 1.00 0.00 O ATOM 599 CB LYS A 188 23.260 -10.077 -5.725 1.00 0.00 C ATOM 600 CG LYS A 188 23.996 -10.177 -4.388 1.00 0.00 C ATOM 601 CD LYS A 188 24.897 -11.413 -4.331 1.00 0.00 C ATOM 602 CE LYS A 188 24.105 -12.709 -4.432 1.00 0.00 C ATOM 603 NZ LYS A 188 24.984 -13.901 -4.441 1.00 0.00 N ATOM 0 H LYS A 188 20.419 -9.257 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 188 22.975 -7.931 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 188 22.630 -10.959 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 188 23.998 -10.107 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 188 24.597 -9.281 -4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 188 23.271 -10.217 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 188 25.623 -11.369 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 188 25.461 -11.406 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 188 23.413 -12.776 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 188 23.504 -12.696 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 24.403 -14.761 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 25.628 -13.851 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 25.539 -13.929 -3.562 1.00 0.00 H new ATOM 617 N LYS A 189 21.879 -7.577 -7.910 1.00 0.00 N ATOM 618 CA LYS A 189 21.579 -7.322 -9.312 1.00 0.00 C ATOM 619 C LYS A 189 22.405 -6.112 -9.675 1.00 0.00 C ATOM 620 O LYS A 189 22.743 -5.345 -8.769 1.00 0.00 O ATOM 621 CB LYS A 189 20.082 -6.990 -9.542 1.00 0.00 C ATOM 622 CG LYS A 189 19.088 -8.104 -9.254 1.00 0.00 C ATOM 623 CD LYS A 189 19.193 -9.286 -10.216 1.00 0.00 C ATOM 624 CE LYS A 189 18.737 -8.916 -11.618 1.00 0.00 C ATOM 625 NZ LYS A 189 18.684 -10.093 -12.506 1.00 0.00 N ATOM 0 H LYS A 189 22.068 -6.726 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 189 21.801 -8.203 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 189 19.823 -6.133 -8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 189 19.957 -6.681 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 189 19.241 -8.461 -8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 189 18.078 -7.698 -9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 189 20.225 -9.636 -10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 189 18.588 -10.113 -9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 189 17.751 -8.453 -11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 189 19.417 -8.175 -12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 18.369 -9.800 -13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 19.630 -10.520 -12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 18.016 -10.790 -12.119 1.00 0.00 H new ATOM 639 N PRO A 190 22.789 -5.929 -10.954 1.00 0.00 N ATOM 640 CA PRO A 190 23.561 -4.752 -11.376 1.00 0.00 C ATOM 641 C PRO A 190 22.865 -3.445 -10.973 1.00 0.00 C ATOM 642 O PRO A 190 21.759 -3.139 -11.440 1.00 0.00 O ATOM 643 CB PRO A 190 23.615 -4.888 -12.902 1.00 0.00 C ATOM 644 CG PRO A 190 23.490 -6.350 -13.138 1.00 0.00 C ATOM 645 CD PRO A 190 22.538 -6.848 -12.086 1.00 0.00 C ATOM 0 HA PRO A 190 24.546 -4.712 -10.911 1.00 0.00 H new ATOM 0 HB2 PRO A 190 22.806 -4.336 -13.381 1.00 0.00 H new ATOM 0 HB3 PRO A 190 24.550 -4.497 -13.305 1.00 0.00 H new ATOM 0 HG2 PRO A 190 23.110 -6.555 -14.139 1.00 0.00 H new ATOM 0 HG3 PRO A 190 24.458 -6.845 -13.057 1.00 0.00 H new ATOM 0 HD2 PRO A 190 21.502 -6.801 -12.423 1.00 0.00 H new ATOM 0 HD3 PRO A 190 22.739 -7.885 -11.817 1.00 0.00 H new ATOM 653 N ALA A 191 23.495 -2.710 -10.090 1.00 0.00 N ATOM 654 CA ALA A 191 22.961 -1.471 -9.568 1.00 0.00 C ATOM 655 C ALA A 191 24.059 -0.424 -9.580 1.00 0.00 C ATOM 656 O ALA A 191 25.074 -0.599 -10.269 1.00 0.00 O ATOM 657 CB ALA A 191 22.453 -1.694 -8.145 1.00 0.00 C ATOM 0 H ALA A 191 24.407 -2.957 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 191 22.129 -1.129 -10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 191 22.051 -0.760 -7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 191 21.670 -2.452 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 191 23.276 -2.029 -7.513 1.00 0.00 H new ATOM 663 N LEU A 192 23.867 0.654 -8.872 1.00 0.00 N ATOM 664 CA LEU A 192 24.882 1.665 -8.779 1.00 0.00 C ATOM 665 C LEU A 192 25.697 1.396 -7.532 1.00 0.00 C ATOM 666 O LEU A 192 25.318 1.877 -6.445 1.00 0.00 O ATOM 667 CB LEU A 192 24.258 3.067 -8.725 1.00 0.00 C ATOM 668 CG LEU A 192 23.340 3.458 -9.887 1.00 0.00 C ATOM 669 CD1 LEU A 192 22.800 4.865 -9.690 1.00 0.00 C ATOM 670 CD2 LEU A 192 24.073 3.351 -11.211 1.00 0.00 C ATOM 671 OXT LEU A 192 26.696 0.653 -7.607 1.00 0.00 O ATOM 0 H LEU A 192 23.014 0.855 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 192 25.521 1.630 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 192 23.689 3.150 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 192 25.066 3.797 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 192 22.499 2.764 -9.905 1.00 0.00 H new ATOM 0 HD11 LEU A 192 22.150 5.125 -10.525 1.00 0.00 H new ATOM 0 HD12 LEU A 192 22.232 4.910 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 192 23.630 5.570 -9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 192 23.402 3.633 -12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 192 24.935 4.018 -11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 192 24.409 2.325 -11.359 1.00 0.00 H new TER 683 LEU A 192