USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 533 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 86 SER OG : rot 180:sc= -1.03 USER MOD Set 1.2: A 88 THR OG1 : rot 66:sc= 1.08 USER MOD Set 1.3: A 137 GLN : amide:sc= -1.31! C(o=-1.3!,f=-4.8!) USER MOD Single : A 78 THR OG1 : rot -26:sc= -0.0129 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= -0.925 (180deg=-0.951) USER MOD Single : A 81 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-5.6!) USER MOD Single : A 84 ASN : amide:sc= -0.918 K(o=-0.92,f=-0.24) USER MOD Single : A 89 CYS SG : rot 107:sc= 1.01 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -2.57! K(o=-2.6!,f=-0.91) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot -140:sc= -0.297 USER MOD Single : A 107 CYS SG : rot 170:sc= -1.85 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 118 MET CE :methyl 152:sc= -0.601 (180deg=-1.37) USER MOD Single : A 133 ASN : amide:sc= -5.98! C(o=-6!,f=-4.2!) USER MOD Single : A 134 THR OG1 : rot 30:sc= 0.294 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 166:sc= 0 (180deg=-0.443) USER MOD Single : A 142 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.790 13.088 9.232 1.00 0.00 N ATOM 110 CA THR A 78 -2.917 12.525 8.501 1.00 0.00 C ATOM 111 C THR A 78 -3.138 11.063 8.871 1.00 0.00 C ATOM 112 O THR A 78 -2.190 10.338 9.175 1.00 0.00 O ATOM 113 CB THR A 78 -2.709 12.631 6.978 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.312 12.567 6.670 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.293 13.929 6.441 1.00 0.00 C ATOM 0 HA THR A 78 -3.796 13.105 8.782 1.00 0.00 H new ATOM 0 HB THR A 78 -3.224 11.796 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.793 12.887 7.437 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.134 13.981 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.362 13.962 6.652 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.802 14.775 6.922 1.00 0.00 H new ATOM 123 N LYS A 79 -4.395 10.633 8.843 1.00 0.00 N ATOM 124 CA LYS A 79 -4.741 9.256 9.174 1.00 0.00 C ATOM 125 C LYS A 79 -5.423 8.568 7.995 1.00 0.00 C ATOM 126 O LYS A 79 -6.287 9.151 7.338 1.00 0.00 O ATOM 127 CB LYS A 79 -5.658 9.219 10.399 1.00 0.00 C ATOM 128 CG LYS A 79 -5.567 7.924 11.188 1.00 0.00 C ATOM 129 CD LYS A 79 -4.458 7.980 12.225 1.00 0.00 C ATOM 130 CE LYS A 79 -4.114 6.594 12.749 1.00 0.00 C ATOM 131 NZ LYS A 79 -3.157 5.885 11.855 1.00 0.00 N ATOM 0 H LYS A 79 -5.192 11.219 8.594 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.819 8.721 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.408 10.053 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.688 9.366 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.519 7.730 11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.387 7.093 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.570 8.435 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.765 8.618 13.054 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.684 6.679 13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.026 6.005 12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.908 4.965 12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.597 5.736 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.297 6.458 11.743 1.00 0.00 H new ATOM 145 N LEU A 80 -5.030 7.326 7.733 1.00 0.00 N ATOM 146 CA LEU A 80 -5.605 6.558 6.634 1.00 0.00 C ATOM 147 C LEU A 80 -6.149 5.222 7.130 1.00 0.00 C ATOM 148 O LEU A 80 -5.388 4.335 7.518 1.00 0.00 O ATOM 149 CB LEU A 80 -4.554 6.322 5.547 1.00 0.00 C ATOM 150 CG LEU A 80 -3.735 7.543 5.130 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.690 7.156 4.095 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.644 8.637 4.589 1.00 0.00 C ATOM 0 H LEU A 80 -4.316 6.830 8.266 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.431 7.132 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.867 5.550 5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.056 5.927 4.664 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.221 7.929 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.116 8.038 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.019 6.408 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.184 6.745 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.043 9.498 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.187 8.263 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.354 8.935 5.361 1.00 0.00 H new ATOM 164 N HIS A 81 -7.471 5.084 7.111 1.00 0.00 N ATOM 165 CA HIS A 81 -8.118 3.855 7.556 1.00 0.00 C ATOM 166 C HIS A 81 -8.166 2.828 6.429 1.00 0.00 C ATOM 167 O HIS A 81 -8.449 3.165 5.280 1.00 0.00 O ATOM 168 CB HIS A 81 -9.533 4.150 8.054 1.00 0.00 C ATOM 169 CG HIS A 81 -10.285 2.926 8.479 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.452 1.825 7.667 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.916 2.634 9.641 1.00 0.00 C ATOM 172 CE1 HIS A 81 -11.154 0.909 8.309 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.447 1.375 9.510 1.00 0.00 N ATOM 0 H HIS A 81 -8.115 5.808 6.792 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.532 3.441 8.376 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.477 4.842 8.894 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.090 4.653 7.264 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.988 3.273 10.509 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.440 -0.057 7.919 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.981 0.880 10.224 1.00 0.00 H new ATOM 182 N VAL A 82 -7.887 1.573 6.766 1.00 0.00 N ATOM 183 CA VAL A 82 -7.899 0.496 5.783 1.00 0.00 C ATOM 184 C VAL A 82 -8.820 -0.637 6.220 1.00 0.00 C ATOM 185 O VAL A 82 -8.941 -0.929 7.409 1.00 0.00 O ATOM 186 CB VAL A 82 -6.484 -0.067 5.551 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.415 -0.806 4.223 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.451 1.048 5.605 1.00 0.00 C ATOM 0 H VAL A 82 -7.650 1.277 7.713 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.270 0.922 4.851 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.259 -0.777 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.408 -1.197 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.127 -1.631 4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.660 -0.120 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.457 0.632 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.670 1.784 4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.485 1.528 6.583 1.00 0.00 H new ATOM 198 N GLY A 83 -9.468 -1.274 5.249 1.00 0.00 N ATOM 199 CA GLY A 83 -10.370 -2.369 5.554 1.00 0.00 C ATOM 200 C GLY A 83 -10.035 -3.629 4.779 1.00 0.00 C ATOM 201 O GLY A 83 -9.368 -3.571 3.747 1.00 0.00 O ATOM 0 H GLY A 83 -9.384 -1.051 4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.330 -2.582 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.393 -2.067 5.327 1.00 0.00 H new ATOM 205 N ASN A 84 -10.498 -4.770 5.280 1.00 0.00 N ATOM 206 CA ASN A 84 -10.241 -6.049 4.629 1.00 0.00 C ATOM 207 C ASN A 84 -8.749 -6.365 4.619 1.00 0.00 C ATOM 208 O ASN A 84 -8.168 -6.634 3.568 1.00 0.00 O ATOM 209 CB ASN A 84 -10.780 -6.034 3.197 1.00 0.00 C ATOM 210 CG ASN A 84 -11.209 -7.409 2.725 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.322 -7.855 3.007 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.326 -8.090 2.004 1.00 0.00 N ATOM 0 H ASN A 84 -11.052 -4.835 6.134 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.755 -6.826 5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.628 -5.352 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.012 -5.646 2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.558 -9.022 1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.415 -7.681 1.794 1.00 0.00 H new ATOM 219 N ILE A 85 -8.135 -6.331 5.797 1.00 0.00 N ATOM 220 CA ILE A 85 -6.711 -6.616 5.925 1.00 0.00 C ATOM 221 C ILE A 85 -6.461 -8.112 6.083 1.00 0.00 C ATOM 222 O ILE A 85 -7.346 -8.858 6.501 1.00 0.00 O ATOM 223 CB ILE A 85 -6.094 -5.874 7.125 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.689 -4.469 7.245 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.581 -5.804 6.984 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.288 -3.545 6.116 1.00 0.00 C ATOM 0 H ILE A 85 -8.601 -6.109 6.677 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.236 -6.266 5.009 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.329 -6.427 8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.776 -4.545 7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.375 -4.030 8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.160 -5.277 7.840 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.172 -6.814 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.325 -5.271 6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.746 -2.567 6.266 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.203 -3.439 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.626 -3.962 5.167 1.00 0.00 H new ATOM 238 N SER A 86 -5.249 -8.542 5.748 1.00 0.00 N ATOM 239 CA SER A 86 -4.883 -9.950 5.851 1.00 0.00 C ATOM 240 C SER A 86 -4.428 -10.291 7.267 1.00 0.00 C ATOM 241 O SER A 86 -3.793 -9.489 7.952 1.00 0.00 O ATOM 242 CB SER A 86 -3.774 -10.284 4.852 1.00 0.00 C ATOM 243 OG SER A 86 -3.872 -11.628 4.412 1.00 0.00 O ATOM 0 H SER A 86 -4.504 -7.936 5.403 1.00 0.00 H new ATOM 0 HA SER A 86 -5.764 -10.548 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.837 -9.612 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.801 -10.120 5.315 1.00 0.00 H new ATOM 0 HG SER A 86 -3.153 -11.816 3.773 1.00 0.00 H new ATOM 249 N PRO A 87 -4.760 -11.510 7.716 1.00 0.00 N ATOM 250 CA PRO A 87 -4.396 -11.987 9.054 1.00 0.00 C ATOM 251 C PRO A 87 -2.898 -12.236 9.193 1.00 0.00 C ATOM 252 O PRO A 87 -2.399 -12.495 10.288 1.00 0.00 O ATOM 253 CB PRO A 87 -5.171 -13.300 9.186 1.00 0.00 C ATOM 254 CG PRO A 87 -5.373 -13.763 7.785 1.00 0.00 C ATOM 255 CD PRO A 87 -5.516 -12.518 6.954 1.00 0.00 C ATOM 0 HA PRO A 87 -4.635 -11.256 9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.612 -14.033 9.768 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.123 -13.148 9.694 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.528 -14.363 7.447 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.261 -14.390 7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.108 -12.654 5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.561 -12.232 6.836 1.00 0.00 H new ATOM 263 N THR A 88 -2.183 -12.155 8.074 1.00 0.00 N ATOM 264 CA THR A 88 -0.742 -12.373 8.071 1.00 0.00 C ATOM 265 C THR A 88 0.010 -11.073 7.809 1.00 0.00 C ATOM 266 O THR A 88 1.237 -11.025 7.902 1.00 0.00 O ATOM 267 CB THR A 88 -0.333 -13.412 7.010 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.715 -12.958 5.707 1.00 0.00 O ATOM 269 CG2 THR A 88 -0.981 -14.759 7.294 1.00 0.00 C ATOM 0 H THR A 88 -2.579 -11.940 7.159 1.00 0.00 H new ATOM 0 HA THR A 88 -0.477 -12.750 9.059 1.00 0.00 H new ATOM 0 HB THR A 88 0.750 -13.532 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.198 -12.158 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.678 -15.477 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.665 -15.115 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.066 -14.651 7.280 1.00 0.00 H new ATOM 277 N CYS A 89 -0.733 -10.021 7.481 1.00 0.00 N ATOM 278 CA CYS A 89 -0.136 -8.720 7.205 1.00 0.00 C ATOM 279 C CYS A 89 0.741 -8.266 8.368 1.00 0.00 C ATOM 280 O CYS A 89 0.401 -8.473 9.534 1.00 0.00 O ATOM 281 CB CYS A 89 -1.226 -7.681 6.937 1.00 0.00 C ATOM 282 SG CYS A 89 -0.596 -6.048 6.485 1.00 0.00 S ATOM 0 H CYS A 89 -1.750 -10.044 7.400 1.00 0.00 H new ATOM 0 HA CYS A 89 0.490 -8.816 6.318 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.870 -8.044 6.136 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.848 -7.585 7.827 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.794 -5.842 5.217 1.00 0.00 H new ATOM 288 N THR A 90 1.872 -7.647 8.044 1.00 0.00 N ATOM 289 CA THR A 90 2.798 -7.166 9.061 1.00 0.00 C ATOM 290 C THR A 90 2.974 -5.654 8.974 1.00 0.00 C ATOM 291 O THR A 90 2.900 -5.072 7.893 1.00 0.00 O ATOM 292 CB THR A 90 4.177 -7.840 8.928 1.00 0.00 C ATOM 293 OG1 THR A 90 4.768 -7.502 7.668 1.00 0.00 O ATOM 294 CG2 THR A 90 4.054 -9.352 9.046 1.00 0.00 C ATOM 0 H THR A 90 2.169 -7.467 7.085 1.00 0.00 H new ATOM 0 HA THR A 90 2.367 -7.424 10.028 1.00 0.00 H new ATOM 0 HB THR A 90 4.813 -7.479 9.736 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.645 -7.933 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.040 -9.806 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.631 -9.608 10.017 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.403 -9.727 8.256 1.00 0.00 H new ATOM 302 N ASN A 91 3.208 -5.023 10.120 1.00 0.00 N ATOM 303 CA ASN A 91 3.394 -3.578 10.173 1.00 0.00 C ATOM 304 C ASN A 91 4.409 -3.122 9.129 1.00 0.00 C ATOM 305 O ASN A 91 4.287 -2.035 8.565 1.00 0.00 O ATOM 306 CB ASN A 91 3.856 -3.153 11.569 1.00 0.00 C ATOM 307 CG ASN A 91 2.694 -2.815 12.484 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.294 -3.623 13.322 1.00 0.00 O ATOM 309 ND2 ASN A 91 2.147 -1.616 12.326 1.00 0.00 N ATOM 0 H ASN A 91 3.273 -5.490 11.024 1.00 0.00 H new ATOM 0 HA ASN A 91 2.437 -3.105 9.955 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.444 -3.955 12.014 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.512 -2.287 11.484 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.362 -1.332 12.912 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.512 -0.978 11.618 1.00 0.00 H new ATOM 316 N GLN A 92 5.409 -3.961 8.878 1.00 0.00 N ATOM 317 CA GLN A 92 6.444 -3.643 7.902 1.00 0.00 C ATOM 318 C GLN A 92 5.892 -3.707 6.482 1.00 0.00 C ATOM 319 O GLN A 92 6.349 -2.987 5.595 1.00 0.00 O ATOM 320 CB GLN A 92 7.624 -4.606 8.047 1.00 0.00 C ATOM 321 CG GLN A 92 8.688 -4.123 9.018 1.00 0.00 C ATOM 322 CD GLN A 92 9.705 -3.209 8.363 1.00 0.00 C ATOM 323 OE1 GLN A 92 10.562 -3.660 7.602 1.00 0.00 O ATOM 324 NE2 GLN A 92 9.616 -1.917 8.655 1.00 0.00 N ATOM 0 H GLN A 92 5.524 -4.865 9.336 1.00 0.00 H new ATOM 0 HA GLN A 92 6.788 -2.626 8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.252 -5.575 8.381 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.080 -4.759 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.209 -3.595 9.843 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.202 -4.984 9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.890 -1.587 9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.274 -1.255 8.244 1.00 0.00 H new ATOM 333 N GLU A 93 4.906 -4.575 6.274 1.00 0.00 N ATOM 334 CA GLU A 93 4.293 -4.733 4.960 1.00 0.00 C ATOM 335 C GLU A 93 3.376 -3.556 4.643 1.00 0.00 C ATOM 336 O GLU A 93 3.577 -2.846 3.656 1.00 0.00 O ATOM 337 CB GLU A 93 3.502 -6.042 4.896 1.00 0.00 C ATOM 338 CG GLU A 93 4.358 -7.255 4.572 1.00 0.00 C ATOM 339 CD GLU A 93 4.476 -7.503 3.081 1.00 0.00 C ATOM 340 OE1 GLU A 93 3.446 -7.420 2.381 1.00 0.00 O ATOM 341 OE2 GLU A 93 5.601 -7.781 2.614 1.00 0.00 O ATOM 0 H GLU A 93 4.515 -5.179 6.998 1.00 0.00 H new ATOM 0 HA GLU A 93 5.089 -4.761 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.005 -6.204 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.720 -5.948 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.354 -7.116 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.930 -8.136 5.050 1.00 0.00 H new ATOM 348 N LEU A 94 2.369 -3.355 5.485 1.00 0.00 N ATOM 349 CA LEU A 94 1.419 -2.264 5.295 1.00 0.00 C ATOM 350 C LEU A 94 2.134 -0.916 5.276 1.00 0.00 C ATOM 351 O LEU A 94 1.971 -0.129 4.345 1.00 0.00 O ATOM 352 CB LEU A 94 0.365 -2.280 6.404 1.00 0.00 C ATOM 353 CG LEU A 94 -0.935 -1.534 6.104 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.527 -2.001 4.784 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.934 -1.727 7.237 1.00 0.00 C ATOM 0 H LEU A 94 2.189 -3.933 6.306 1.00 0.00 H new ATOM 0 HA LEU A 94 0.927 -2.407 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.121 -3.318 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.807 -1.852 7.304 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.710 -0.471 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.452 -1.459 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.817 -1.811 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.737 -3.069 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.854 -1.189 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.153 -2.788 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.511 -1.342 8.165 1.00 0.00 H new ATOM 367 N ARG A 95 2.928 -0.659 6.311 1.00 0.00 N ATOM 368 CA ARG A 95 3.669 0.592 6.413 1.00 0.00 C ATOM 369 C ARG A 95 4.454 0.865 5.133 1.00 0.00 C ATOM 370 O ARG A 95 4.273 1.899 4.491 1.00 0.00 O ATOM 371 CB ARG A 95 4.621 0.549 7.609 1.00 0.00 C ATOM 372 CG ARG A 95 5.470 1.802 7.757 1.00 0.00 C ATOM 373 CD ARG A 95 6.264 1.787 9.053 1.00 0.00 C ATOM 374 NE ARG A 95 7.302 2.814 9.072 1.00 0.00 N ATOM 375 CZ ARG A 95 7.873 3.262 10.184 1.00 0.00 C ATOM 376 NH1 ARG A 95 7.510 2.774 11.362 1.00 0.00 N ATOM 377 NH2 ARG A 95 8.810 4.199 10.119 1.00 0.00 N ATOM 0 H ARG A 95 3.074 -1.301 7.090 1.00 0.00 H new ATOM 0 HA ARG A 95 2.951 1.400 6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.040 0.404 8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.278 -0.315 7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.153 1.882 6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.828 2.683 7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.588 1.940 9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.722 0.807 9.186 1.00 0.00 H new ATOM 0 HE ARG A 95 7.605 3.209 8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.791 2.053 11.416 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.950 3.120 12.215 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.092 4.576 9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.248 4.542 10.974 1.00 0.00 H new ATOM 391 N ALA A 96 5.326 -0.070 4.770 1.00 0.00 N ATOM 392 CA ALA A 96 6.138 0.069 3.567 1.00 0.00 C ATOM 393 C ALA A 96 5.279 0.451 2.366 1.00 0.00 C ATOM 394 O ALA A 96 5.562 1.429 1.673 1.00 0.00 O ATOM 395 CB ALA A 96 6.893 -1.222 3.288 1.00 0.00 C ATOM 0 H ALA A 96 5.488 -0.931 5.291 1.00 0.00 H new ATOM 0 HA ALA A 96 6.858 0.870 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.495 -1.104 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.544 -1.453 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.182 -2.036 3.145 1.00 0.00 H new ATOM 401 N LYS A 97 4.229 -0.325 2.125 1.00 0.00 N ATOM 402 CA LYS A 97 3.327 -0.069 1.008 1.00 0.00 C ATOM 403 C LYS A 97 2.896 1.394 0.983 1.00 0.00 C ATOM 404 O LYS A 97 2.697 1.974 -0.085 1.00 0.00 O ATOM 405 CB LYS A 97 2.096 -0.973 1.102 1.00 0.00 C ATOM 406 CG LYS A 97 1.042 -0.675 0.049 1.00 0.00 C ATOM 407 CD LYS A 97 1.265 -1.494 -1.211 1.00 0.00 C ATOM 408 CE LYS A 97 0.592 -2.855 -1.118 1.00 0.00 C ATOM 409 NZ LYS A 97 1.100 -3.797 -2.153 1.00 0.00 N ATOM 0 H LYS A 97 3.981 -1.138 2.689 1.00 0.00 H new ATOM 0 HA LYS A 97 3.861 -0.289 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.410 -2.012 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.651 -0.865 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.052 -0.889 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.063 0.387 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.874 -0.952 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.334 -1.626 -1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.762 -3.277 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.485 -2.736 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.617 -4.713 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.915 -3.406 -3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.124 -3.931 -2.028 1.00 0.00 H new ATOM 423 N PHE A 98 2.754 1.986 2.164 1.00 0.00 N ATOM 424 CA PHE A 98 2.347 3.381 2.277 1.00 0.00 C ATOM 425 C PHE A 98 3.558 4.307 2.221 1.00 0.00 C ATOM 426 O PHE A 98 3.464 5.441 1.753 1.00 0.00 O ATOM 427 CB PHE A 98 1.578 3.607 3.580 1.00 0.00 C ATOM 428 CG PHE A 98 0.115 3.280 3.478 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.780 4.203 2.962 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.364 2.049 3.896 1.00 0.00 C ATOM 431 CE1 PHE A 98 -2.126 3.904 2.867 1.00 0.00 C ATOM 432 CE2 PHE A 98 -1.709 1.745 3.803 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.591 2.674 3.287 1.00 0.00 C ATOM 0 H PHE A 98 2.915 1.521 3.057 1.00 0.00 H new ATOM 0 HA PHE A 98 1.695 3.612 1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.024 2.998 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.689 4.648 3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.422 5.167 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.322 1.318 4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.814 4.633 2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.070 0.782 4.133 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.642 2.439 3.212 1.00 0.00 H new ATOM 443 N GLU A 99 4.695 3.815 2.703 1.00 0.00 N ATOM 444 CA GLU A 99 5.924 4.599 2.710 1.00 0.00 C ATOM 445 C GLU A 99 6.350 4.955 1.288 1.00 0.00 C ATOM 446 O GLU A 99 7.052 5.942 1.069 1.00 0.00 O ATOM 447 CB GLU A 99 7.044 3.827 3.411 1.00 0.00 C ATOM 448 CG GLU A 99 7.020 3.959 4.924 1.00 0.00 C ATOM 449 CD GLU A 99 8.165 3.224 5.593 1.00 0.00 C ATOM 450 OE1 GLU A 99 8.364 2.030 5.286 1.00 0.00 O ATOM 451 OE2 GLU A 99 8.863 3.843 6.423 1.00 0.00 O ATOM 0 H GLU A 99 4.790 2.878 3.093 1.00 0.00 H new ATOM 0 HA GLU A 99 5.732 5.523 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.968 2.773 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.006 4.181 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.064 5.014 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.074 3.572 5.304 1.00 0.00 H new ATOM 458 N GLU A 100 5.921 4.143 0.327 1.00 0.00 N ATOM 459 CA GLU A 100 6.258 4.372 -1.073 1.00 0.00 C ATOM 460 C GLU A 100 5.741 5.729 -1.542 1.00 0.00 C ATOM 461 O GLU A 100 6.285 6.325 -2.472 1.00 0.00 O ATOM 462 CB GLU A 100 5.677 3.261 -1.949 1.00 0.00 C ATOM 463 CG GLU A 100 6.467 1.964 -1.893 1.00 0.00 C ATOM 464 CD GLU A 100 7.961 2.186 -2.025 1.00 0.00 C ATOM 465 OE1 GLU A 100 8.362 3.077 -2.802 1.00 0.00 O ATOM 466 OE2 GLU A 100 8.730 1.468 -1.352 1.00 0.00 O ATOM 0 H GLU A 100 5.340 3.321 0.492 1.00 0.00 H new ATOM 0 HA GLU A 100 7.344 4.365 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.651 3.065 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.637 3.608 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.260 1.457 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.130 1.303 -2.691 1.00 0.00 H new ATOM 473 N TYR A 101 4.687 6.210 -0.893 1.00 0.00 N ATOM 474 CA TYR A 101 4.094 7.495 -1.246 1.00 0.00 C ATOM 475 C TYR A 101 4.773 8.634 -0.491 1.00 0.00 C ATOM 476 O TYR A 101 5.207 9.618 -1.089 1.00 0.00 O ATOM 477 CB TYR A 101 2.595 7.489 -0.941 1.00 0.00 C ATOM 478 CG TYR A 101 1.834 6.401 -1.665 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.892 5.081 -1.236 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.056 6.694 -2.779 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.199 4.085 -1.896 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.359 5.704 -3.444 1.00 0.00 C ATOM 483 CZ TYR A 101 0.434 4.401 -2.999 1.00 0.00 C ATOM 484 OH TYR A 101 -0.259 3.411 -3.658 1.00 0.00 O ATOM 0 H TYR A 101 4.226 5.730 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 101 4.241 7.653 -2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.452 7.368 0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.174 8.457 -1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.489 4.829 -0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.995 7.713 -3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.256 3.064 -1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.241 5.949 -4.308 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.204 3.561 -4.625 1.00 0.00 H new ATOM 494 N GLY A 102 4.861 8.491 0.828 1.00 0.00 N ATOM 495 CA GLY A 102 5.489 9.514 1.644 1.00 0.00 C ATOM 496 C GLY A 102 6.054 8.959 2.936 1.00 0.00 C ATOM 497 O GLY A 102 5.902 7.778 3.249 1.00 0.00 O ATOM 0 H GLY A 102 4.509 7.686 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.289 9.988 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.759 10.290 1.874 1.00 0.00 H new ATOM 501 N PRO A 103 6.725 9.823 3.712 1.00 0.00 N ATOM 502 CA PRO A 103 7.330 9.435 4.990 1.00 0.00 C ATOM 503 C PRO A 103 6.284 9.136 6.059 1.00 0.00 C ATOM 504 O PRO A 103 5.853 10.030 6.787 1.00 0.00 O ATOM 505 CB PRO A 103 8.156 10.663 5.379 1.00 0.00 C ATOM 506 CG PRO A 103 7.490 11.802 4.689 1.00 0.00 C ATOM 507 CD PRO A 103 6.946 11.246 3.402 1.00 0.00 C ATOM 0 HA PRO A 103 7.917 8.520 4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.167 10.807 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.193 10.559 5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.691 12.217 5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.197 12.609 4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.021 11.742 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.650 11.374 2.580 1.00 0.00 H new ATOM 515 N VAL A 104 5.880 7.873 6.148 1.00 0.00 N ATOM 516 CA VAL A 104 4.886 7.456 7.130 1.00 0.00 C ATOM 517 C VAL A 104 5.354 7.757 8.549 1.00 0.00 C ATOM 518 O VAL A 104 6.554 7.781 8.825 1.00 0.00 O ATOM 519 CB VAL A 104 4.577 5.951 7.012 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.662 5.503 8.141 1.00 0.00 C ATOM 521 CG2 VAL A 104 3.958 5.640 5.657 1.00 0.00 C ATOM 0 H VAL A 104 6.226 7.121 5.552 1.00 0.00 H new ATOM 0 HA VAL A 104 3.979 8.024 6.922 1.00 0.00 H new ATOM 0 HB VAL A 104 5.513 5.398 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.455 4.438 8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.148 5.690 9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.726 6.060 8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.746 4.573 5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.031 6.202 5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.653 5.922 4.866 1.00 0.00 H new ATOM 531 N ILE A 105 4.400 7.987 9.444 1.00 0.00 N ATOM 532 CA ILE A 105 4.715 8.286 10.836 1.00 0.00 C ATOM 533 C ILE A 105 4.547 7.051 11.715 1.00 0.00 C ATOM 534 O ILE A 105 5.494 6.605 12.362 1.00 0.00 O ATOM 535 CB ILE A 105 3.825 9.417 11.384 1.00 0.00 C ATOM 536 CG1 ILE A 105 4.015 10.691 10.558 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.142 9.677 12.849 1.00 0.00 C ATOM 538 CD1 ILE A 105 3.441 11.927 11.213 1.00 0.00 C ATOM 0 H ILE A 105 3.403 7.972 9.231 1.00 0.00 H new ATOM 0 HA ILE A 105 5.756 8.609 10.862 1.00 0.00 H new ATOM 0 HB ILE A 105 2.782 9.109 11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.080 10.844 10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.547 10.555 9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.505 10.479 13.222 1.00 0.00 H new ATOM 0 HG22 ILE A 105 3.961 8.771 13.427 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.188 9.968 12.949 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.612 12.791 10.572 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.370 11.794 11.365 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.927 12.088 12.175 1.00 0.00 H new ATOM 550 N GLU A 106 3.336 6.502 11.730 1.00 0.00 N ATOM 551 CA GLU A 106 3.045 5.318 12.529 1.00 0.00 C ATOM 552 C GLU A 106 1.869 4.542 11.943 1.00 0.00 C ATOM 553 O GLU A 106 0.776 5.084 11.776 1.00 0.00 O ATOM 554 CB GLU A 106 2.740 5.713 13.975 1.00 0.00 C ATOM 555 CG GLU A 106 2.139 7.102 14.113 1.00 0.00 C ATOM 556 CD GLU A 106 1.850 7.472 15.554 1.00 0.00 C ATOM 557 OE1 GLU A 106 0.868 6.946 16.117 1.00 0.00 O ATOM 558 OE2 GLU A 106 2.608 8.289 16.120 1.00 0.00 O ATOM 0 H GLU A 106 2.542 6.858 11.198 1.00 0.00 H new ATOM 0 HA GLU A 106 3.926 4.676 12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.052 4.984 14.404 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.660 5.665 14.558 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.823 7.834 13.684 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.215 7.153 13.536 1.00 0.00 H new ATOM 565 N CYS A 107 2.102 3.272 11.632 1.00 0.00 N ATOM 566 CA CYS A 107 1.063 2.420 11.063 1.00 0.00 C ATOM 567 C CYS A 107 0.668 1.318 12.041 1.00 0.00 C ATOM 568 O CYS A 107 1.514 0.764 12.742 1.00 0.00 O ATOM 569 CB CYS A 107 1.542 1.805 9.748 1.00 0.00 C ATOM 570 SG CYS A 107 0.391 0.610 9.029 1.00 0.00 S ATOM 0 H CYS A 107 3.001 2.809 11.764 1.00 0.00 H new ATOM 0 HA CYS A 107 0.187 3.038 10.868 1.00 0.00 H new ATOM 0 HB2 CYS A 107 1.716 2.604 9.028 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.500 1.314 9.917 1.00 0.00 H new ATOM 0 HG CYS A 107 0.776 0.307 7.825 1.00 0.00 H new ATOM 576 N ASP A 108 -0.623 1.007 12.082 1.00 0.00 N ATOM 577 CA ASP A 108 -1.131 -0.029 12.974 1.00 0.00 C ATOM 578 C ASP A 108 -2.086 -0.961 12.236 1.00 0.00 C ATOM 579 O ASP A 108 -2.946 -0.511 11.477 1.00 0.00 O ATOM 580 CB ASP A 108 -1.840 0.603 14.173 1.00 0.00 C ATOM 581 CG ASP A 108 -0.899 0.856 15.334 1.00 0.00 C ATOM 582 OD1 ASP A 108 -0.373 -0.127 15.898 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.687 2.037 15.679 1.00 0.00 O ATOM 0 H ASP A 108 -1.336 1.457 11.508 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.284 -0.615 13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.296 1.544 13.867 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.648 -0.051 14.500 1.00 0.00 H new ATOM 588 N ILE A 109 -1.930 -2.261 12.462 1.00 0.00 N ATOM 589 CA ILE A 109 -2.779 -3.256 11.818 1.00 0.00 C ATOM 590 C ILE A 109 -3.875 -3.737 12.762 1.00 0.00 C ATOM 591 O ILE A 109 -3.689 -3.777 13.978 1.00 0.00 O ATOM 592 CB ILE A 109 -1.960 -4.470 11.340 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.087 -4.084 10.144 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.885 -5.622 10.977 1.00 0.00 C ATOM 595 CD1 ILE A 109 0.071 -5.030 9.912 1.00 0.00 C ATOM 0 H ILE A 109 -1.223 -2.650 13.086 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.234 -2.771 10.954 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.309 -4.794 12.152 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.706 -4.053 9.247 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.698 -3.077 10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.292 -6.473 10.641 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.469 -5.909 11.852 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.558 -5.310 10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.647 -4.696 9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.712 -5.043 10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.311 -6.034 9.726 1.00 0.00 H new ATOM 607 N VAL A 110 -5.020 -4.103 12.193 1.00 0.00 N ATOM 608 CA VAL A 110 -6.146 -4.585 12.984 1.00 0.00 C ATOM 609 C VAL A 110 -6.721 -5.868 12.396 1.00 0.00 C ATOM 610 O VAL A 110 -6.312 -6.310 11.322 1.00 0.00 O ATOM 611 CB VAL A 110 -7.264 -3.528 13.070 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.172 -3.806 14.258 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.669 -2.130 13.160 1.00 0.00 C ATOM 0 H VAL A 110 -5.192 -4.075 11.188 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.766 -4.786 13.986 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.865 -3.586 12.162 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.955 -3.049 14.302 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.625 -4.791 14.147 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.587 -3.777 15.177 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.472 -1.396 13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.044 -2.057 14.050 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.064 -1.934 12.275 1.00 0.00 H new ATOM 623 N LYS A 111 -7.673 -6.464 13.107 1.00 0.00 N ATOM 624 CA LYS A 111 -8.306 -7.697 12.656 1.00 0.00 C ATOM 625 C LYS A 111 -8.500 -7.688 11.143 1.00 0.00 C ATOM 626 O LYS A 111 -7.821 -8.414 10.417 1.00 0.00 O ATOM 627 CB LYS A 111 -9.656 -7.885 13.353 1.00 0.00 C ATOM 628 CG LYS A 111 -10.031 -9.341 13.571 1.00 0.00 C ATOM 629 CD LYS A 111 -9.290 -9.936 14.756 1.00 0.00 C ATOM 630 CE LYS A 111 -10.015 -9.658 16.064 1.00 0.00 C ATOM 631 NZ LYS A 111 -9.353 -10.325 17.219 1.00 0.00 N ATOM 0 H LYS A 111 -8.023 -6.112 13.998 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.651 -8.528 12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.632 -7.377 14.317 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.432 -7.404 12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.106 -9.420 13.736 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -9.803 -9.915 12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.186 -11.012 14.618 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.283 -9.522 14.802 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.051 -8.583 16.238 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.046 -10.003 15.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.878 -10.111 18.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.341 -11.354 17.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.377 -9.977 17.308 1.00 0.00 H new ATOM 645 N ASP A 112 -9.429 -6.862 10.675 1.00 0.00 N ATOM 646 CA ASP A 112 -9.710 -6.757 9.248 1.00 0.00 C ATOM 647 C ASP A 112 -9.541 -5.319 8.766 1.00 0.00 C ATOM 648 O ASP A 112 -9.911 -4.984 7.640 1.00 0.00 O ATOM 649 CB ASP A 112 -11.127 -7.246 8.948 1.00 0.00 C ATOM 650 CG ASP A 112 -11.217 -8.758 8.885 1.00 0.00 C ATOM 651 OD1 ASP A 112 -10.213 -9.396 8.506 1.00 0.00 O ATOM 652 OD2 ASP A 112 -12.292 -9.303 9.214 1.00 0.00 O ATOM 0 H ASP A 112 -10.000 -6.255 11.263 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.997 -7.386 8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.806 -6.876 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.460 -6.825 7.999 1.00 0.00 H new ATOM 657 N TYR A 113 -8.982 -4.474 9.625 1.00 0.00 N ATOM 658 CA TYR A 113 -8.768 -3.072 9.287 1.00 0.00 C ATOM 659 C TYR A 113 -7.382 -2.611 9.729 1.00 0.00 C ATOM 660 O TYR A 113 -6.634 -3.364 10.351 1.00 0.00 O ATOM 661 CB TYR A 113 -9.840 -2.199 9.942 1.00 0.00 C ATOM 662 CG TYR A 113 -10.353 -2.751 11.253 1.00 0.00 C ATOM 663 CD1 TYR A 113 -11.016 -3.971 11.304 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.175 -2.052 12.440 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.487 -4.478 12.499 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.641 -2.552 13.641 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.297 -3.766 13.665 1.00 0.00 C ATOM 668 OH TYR A 113 -11.764 -4.267 14.858 1.00 0.00 O ATOM 0 H TYR A 113 -8.669 -4.735 10.560 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.837 -2.971 8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.431 -1.203 10.112 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.677 -2.087 9.252 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.166 -4.532 10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.663 -1.101 12.424 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -12.002 -5.427 12.521 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.493 -1.996 14.555 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.547 -3.643 15.582 1.00 0.00 H new ATOM 678 N ALA A 114 -7.047 -1.368 9.401 1.00 0.00 N ATOM 679 CA ALA A 114 -5.753 -0.804 9.764 1.00 0.00 C ATOM 680 C ALA A 114 -5.811 0.719 9.811 1.00 0.00 C ATOM 681 O ALA A 114 -6.862 1.318 9.578 1.00 0.00 O ATOM 682 CB ALA A 114 -4.683 -1.264 8.786 1.00 0.00 C ATOM 0 H ALA A 114 -7.654 -0.732 8.884 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.496 -1.162 10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.722 -0.835 9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.615 -2.352 8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.944 -0.936 7.780 1.00 0.00 H new ATOM 688 N PHE A 115 -4.676 1.341 10.113 1.00 0.00 N ATOM 689 CA PHE A 115 -4.599 2.795 10.191 1.00 0.00 C ATOM 690 C PHE A 115 -3.168 3.277 9.968 1.00 0.00 C ATOM 691 O PHE A 115 -2.282 3.025 10.784 1.00 0.00 O ATOM 692 CB PHE A 115 -5.106 3.282 11.551 1.00 0.00 C ATOM 693 CG PHE A 115 -6.494 2.809 11.877 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.710 1.518 12.334 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.581 3.654 11.728 1.00 0.00 C ATOM 696 CE1 PHE A 115 -7.986 1.080 12.634 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.860 3.222 12.027 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.062 1.933 12.482 1.00 0.00 C ATOM 0 H PHE A 115 -3.797 0.861 10.308 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.231 3.209 9.405 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.422 2.941 12.328 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.089 4.372 11.567 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.872 0.848 12.457 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.428 4.663 11.374 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.142 0.071 12.987 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.699 3.891 11.905 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.059 1.593 12.718 1.00 0.00 H new ATOM 708 N VAL A 116 -2.951 3.970 8.855 1.00 0.00 N ATOM 709 CA VAL A 116 -1.629 4.488 8.523 1.00 0.00 C ATOM 710 C VAL A 116 -1.531 5.979 8.823 1.00 0.00 C ATOM 711 O VAL A 116 -2.180 6.799 8.170 1.00 0.00 O ATOM 712 CB VAL A 116 -1.290 4.250 7.039 1.00 0.00 C ATOM 713 CG1 VAL A 116 0.071 4.841 6.701 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.330 2.765 6.715 1.00 0.00 C ATOM 0 H VAL A 116 -3.673 4.186 8.168 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.913 3.949 9.143 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.040 4.752 6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.294 4.663 5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.060 5.914 6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.836 4.370 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.088 2.616 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.603 2.238 7.333 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.328 2.375 6.917 1.00 0.00 H new ATOM 724 N HIS A 117 -0.716 6.326 9.814 1.00 0.00 N ATOM 725 CA HIS A 117 -0.533 7.721 10.200 1.00 0.00 C ATOM 726 C HIS A 117 0.472 8.411 9.282 1.00 0.00 C ATOM 727 O HIS A 117 1.682 8.249 9.437 1.00 0.00 O ATOM 728 CB HIS A 117 -0.061 7.812 11.652 1.00 0.00 C ATOM 729 CG HIS A 117 -0.506 9.061 12.349 1.00 0.00 C ATOM 730 ND1 HIS A 117 -0.994 9.070 13.638 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.532 10.347 11.929 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.303 10.308 13.981 1.00 0.00 C ATOM 733 NE2 HIS A 117 -1.032 11.102 12.961 1.00 0.00 N ATOM 0 H HIS A 117 -0.172 5.661 10.364 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.493 8.228 10.105 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.433 6.947 12.201 1.00 0.00 H new ATOM 0 HB3 HIS A 117 1.028 7.761 11.676 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -0.218 10.712 10.962 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.708 10.618 14.933 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.172 12.112 12.943 1.00 0.00 H new ATOM 742 N MET A 118 -0.039 9.180 8.326 1.00 0.00 N ATOM 743 CA MET A 118 0.814 9.894 7.383 1.00 0.00 C ATOM 744 C MET A 118 1.238 11.245 7.951 1.00 0.00 C ATOM 745 O MET A 118 0.676 11.717 8.938 1.00 0.00 O ATOM 746 CB MET A 118 0.086 10.092 6.052 1.00 0.00 C ATOM 747 CG MET A 118 0.305 8.957 5.066 1.00 0.00 C ATOM 748 SD MET A 118 2.050 8.666 4.716 1.00 0.00 S ATOM 749 CE MET A 118 1.972 8.161 3.000 1.00 0.00 C ATOM 0 H MET A 118 -1.039 9.325 8.184 1.00 0.00 H new ATOM 0 HA MET A 118 1.708 9.294 7.213 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.982 10.195 6.243 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.421 11.025 5.599 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.139 8.044 5.464 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.215 9.184 4.135 1.00 0.00 H new ATOM 0 HE1 MET A 118 2.907 8.418 2.502 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.816 7.084 2.945 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.146 8.673 2.507 1.00 0.00 H new ATOM 759 N GLU A 119 2.232 11.862 7.319 1.00 0.00 N ATOM 760 CA GLU A 119 2.731 13.158 7.763 1.00 0.00 C ATOM 761 C GLU A 119 2.075 14.291 6.978 1.00 0.00 C ATOM 762 O GLU A 119 1.428 15.166 7.553 1.00 0.00 O ATOM 763 CB GLU A 119 4.251 13.226 7.604 1.00 0.00 C ATOM 764 CG GLU A 119 4.828 14.608 7.861 1.00 0.00 C ATOM 765 CD GLU A 119 6.329 14.662 7.650 1.00 0.00 C ATOM 766 OE1 GLU A 119 6.993 13.622 7.845 1.00 0.00 O ATOM 767 OE2 GLU A 119 6.840 15.743 7.289 1.00 0.00 O ATOM 0 H GLU A 119 2.707 11.485 6.499 1.00 0.00 H new ATOM 0 HA GLU A 119 2.478 13.275 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.712 12.516 8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.517 12.912 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.346 15.328 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.597 14.910 8.883 1.00 0.00 H new ATOM 774 N ARG A 120 2.249 14.268 5.660 1.00 0.00 N ATOM 775 CA ARG A 120 1.677 15.293 4.796 1.00 0.00 C ATOM 776 C ARG A 120 0.441 14.766 4.072 1.00 0.00 C ATOM 777 O ARG A 120 0.300 13.562 3.858 1.00 0.00 O ATOM 778 CB ARG A 120 2.714 15.768 3.776 1.00 0.00 C ATOM 779 CG ARG A 120 3.951 16.385 4.408 1.00 0.00 C ATOM 780 CD ARG A 120 4.926 16.883 3.353 1.00 0.00 C ATOM 781 NE ARG A 120 6.078 17.556 3.947 1.00 0.00 N ATOM 782 CZ ARG A 120 7.239 17.714 3.321 1.00 0.00 C ATOM 783 NH1 ARG A 120 7.401 17.251 2.089 1.00 0.00 N ATOM 784 NH2 ARG A 120 8.242 18.337 3.928 1.00 0.00 N ATOM 0 H ARG A 120 2.782 13.551 5.168 1.00 0.00 H new ATOM 0 HA ARG A 120 1.380 16.135 5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.016 14.923 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.251 16.500 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.657 17.213 5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.444 15.647 5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.269 16.042 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.412 17.569 2.680 1.00 0.00 H new ATOM 0 HE ARG A 120 5.986 17.925 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.633 16.772 1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.294 17.374 1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.121 18.695 4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.133 18.458 3.447 1.00 0.00 H new ATOM 798 N ALA A 121 -0.453 15.676 3.698 1.00 0.00 N ATOM 799 CA ALA A 121 -1.675 15.304 2.998 1.00 0.00 C ATOM 800 C ALA A 121 -1.365 14.725 1.622 1.00 0.00 C ATOM 801 O ALA A 121 -1.785 13.615 1.297 1.00 0.00 O ATOM 802 CB ALA A 121 -2.598 16.507 2.871 1.00 0.00 C ATOM 0 H ALA A 121 -0.353 16.677 3.869 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.179 14.534 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.507 16.214 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.855 16.875 3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.094 17.295 2.312 1.00 0.00 H new ATOM 808 N GLU A 122 -0.629 15.486 0.817 1.00 0.00 N ATOM 809 CA GLU A 122 -0.265 15.048 -0.525 1.00 0.00 C ATOM 810 C GLU A 122 0.146 13.578 -0.525 1.00 0.00 C ATOM 811 O GLU A 122 -0.132 12.845 -1.474 1.00 0.00 O ATOM 812 CB GLU A 122 0.875 15.908 -1.074 1.00 0.00 C ATOM 813 CG GLU A 122 0.549 17.391 -1.125 1.00 0.00 C ATOM 814 CD GLU A 122 -0.269 17.767 -2.344 1.00 0.00 C ATOM 815 OE1 GLU A 122 0.176 17.472 -3.473 1.00 0.00 O ATOM 816 OE2 GLU A 122 -1.356 18.358 -2.169 1.00 0.00 O ATOM 0 H GLU A 122 -0.274 16.408 1.071 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.139 15.163 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.760 15.760 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.126 15.565 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.002 17.670 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 122 1.477 17.963 -1.124 1.00 0.00 H new ATOM 823 N ASP A 123 0.810 13.156 0.545 1.00 0.00 N ATOM 824 CA ASP A 123 1.260 11.774 0.670 1.00 0.00 C ATOM 825 C ASP A 123 0.104 10.860 1.064 1.00 0.00 C ATOM 826 O ASP A 123 -0.005 9.736 0.577 1.00 0.00 O ATOM 827 CB ASP A 123 2.382 11.672 1.704 1.00 0.00 C ATOM 828 CG ASP A 123 3.683 12.271 1.207 1.00 0.00 C ATOM 829 OD1 ASP A 123 4.073 11.973 0.059 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.313 13.037 1.967 1.00 0.00 O ATOM 0 H ASP A 123 1.049 13.751 1.339 1.00 0.00 H new ATOM 0 HA ASP A 123 1.640 11.452 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.077 12.181 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.542 10.625 1.960 1.00 0.00 H new ATOM 835 N ALA A 124 -0.756 11.351 1.951 1.00 0.00 N ATOM 836 CA ALA A 124 -1.904 10.579 2.410 1.00 0.00 C ATOM 837 C ALA A 124 -2.923 10.392 1.290 1.00 0.00 C ATOM 838 O ALA A 124 -3.283 9.266 0.946 1.00 0.00 O ATOM 839 CB ALA A 124 -2.552 11.257 3.608 1.00 0.00 C ATOM 0 H ALA A 124 -0.679 12.280 2.366 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.550 9.593 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.408 10.669 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.828 11.333 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.885 12.255 3.325 1.00 0.00 H new ATOM 845 N VAL A 125 -3.386 11.503 0.726 1.00 0.00 N ATOM 846 CA VAL A 125 -4.363 11.462 -0.355 1.00 0.00 C ATOM 847 C VAL A 125 -3.903 10.540 -1.477 1.00 0.00 C ATOM 848 O VAL A 125 -4.704 9.812 -2.064 1.00 0.00 O ATOM 849 CB VAL A 125 -4.621 12.867 -0.932 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.506 12.782 -2.167 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.246 13.769 0.121 1.00 0.00 C ATOM 0 H VAL A 125 -3.100 12.443 1.000 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.290 11.076 0.070 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.666 13.301 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.678 13.784 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.015 12.173 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.461 12.329 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.421 14.757 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.194 13.342 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.572 13.855 0.973 1.00 0.00 H new ATOM 861 N GLU A 126 -2.607 10.575 -1.771 1.00 0.00 N ATOM 862 CA GLU A 126 -2.040 9.741 -2.824 1.00 0.00 C ATOM 863 C GLU A 126 -2.042 8.271 -2.415 1.00 0.00 C ATOM 864 O GLU A 126 -2.540 7.414 -3.144 1.00 0.00 O ATOM 865 CB GLU A 126 -0.613 10.189 -3.147 1.00 0.00 C ATOM 866 CG GLU A 126 -0.546 11.343 -4.134 1.00 0.00 C ATOM 867 CD GLU A 126 0.745 11.356 -4.929 1.00 0.00 C ATOM 868 OE1 GLU A 126 1.805 11.049 -4.345 1.00 0.00 O ATOM 869 OE2 GLU A 126 0.695 11.674 -6.136 1.00 0.00 O ATOM 0 H GLU A 126 -1.930 11.172 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.659 9.854 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.116 10.483 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.058 9.343 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.390 11.279 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -0.645 12.285 -3.594 1.00 0.00 H new ATOM 876 N ALA A 127 -1.481 7.987 -1.244 1.00 0.00 N ATOM 877 CA ALA A 127 -1.420 6.622 -0.737 1.00 0.00 C ATOM 878 C ALA A 127 -2.772 5.928 -0.865 1.00 0.00 C ATOM 879 O ALA A 127 -2.842 4.705 -0.988 1.00 0.00 O ATOM 880 CB ALA A 127 -0.957 6.618 0.712 1.00 0.00 C ATOM 0 H ALA A 127 -1.062 8.684 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.699 6.069 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.916 5.592 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.034 7.067 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.657 7.192 1.319 1.00 0.00 H new ATOM 886 N ILE A 128 -3.841 6.715 -0.834 1.00 0.00 N ATOM 887 CA ILE A 128 -5.190 6.175 -0.947 1.00 0.00 C ATOM 888 C ILE A 128 -5.560 5.919 -2.404 1.00 0.00 C ATOM 889 O ILE A 128 -5.779 4.777 -2.808 1.00 0.00 O ATOM 890 CB ILE A 128 -6.231 7.125 -0.324 1.00 0.00 C ATOM 891 CG1 ILE A 128 -6.024 7.222 1.189 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.640 6.648 -0.642 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.784 8.361 1.831 1.00 0.00 C ATOM 0 H ILE A 128 -3.800 7.729 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.198 5.231 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.099 8.118 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.333 6.284 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.961 7.344 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.364 7.329 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.781 6.626 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.785 5.647 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.590 8.369 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.458 9.306 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.852 8.230 1.656 1.00 0.00 H new ATOM 905 N ARG A 129 -5.626 6.990 -3.189 1.00 0.00 N ATOM 906 CA ARG A 129 -5.968 6.881 -4.602 1.00 0.00 C ATOM 907 C ARG A 129 -5.207 5.733 -5.259 1.00 0.00 C ATOM 908 O ARG A 129 -5.618 5.217 -6.297 1.00 0.00 O ATOM 909 CB ARG A 129 -5.658 8.193 -5.325 1.00 0.00 C ATOM 910 CG ARG A 129 -6.566 8.462 -6.514 1.00 0.00 C ATOM 911 CD ARG A 129 -6.455 9.904 -6.985 1.00 0.00 C ATOM 912 NE ARG A 129 -7.533 10.265 -7.901 1.00 0.00 N ATOM 913 CZ ARG A 129 -7.834 11.517 -8.226 1.00 0.00 C ATOM 914 NH1 ARG A 129 -7.140 12.523 -7.712 1.00 0.00 N ATOM 915 NH2 ARG A 129 -8.829 11.765 -9.067 1.00 0.00 N ATOM 0 H ARG A 129 -5.447 7.942 -2.870 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.036 6.675 -4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.746 9.018 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.623 8.174 -5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.305 7.790 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.599 8.246 -6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.474 10.570 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.495 10.051 -7.479 1.00 0.00 H new ATOM 0 HE ARG A 129 -8.086 9.514 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.373 12.336 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.373 13.484 -7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -9.364 10.994 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -9.059 12.727 -9.316 1.00 0.00 H new ATOM 929 N GLY A 130 -4.096 5.339 -4.645 1.00 0.00 N ATOM 930 CA GLY A 130 -3.295 4.255 -5.185 1.00 0.00 C ATOM 931 C GLY A 130 -3.580 2.930 -4.507 1.00 0.00 C ATOM 932 O GLY A 130 -3.879 1.936 -5.170 1.00 0.00 O ATOM 0 H GLY A 130 -3.736 5.750 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.489 4.162 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.238 4.497 -5.072 1.00 0.00 H new ATOM 936 N LEU A 131 -3.487 2.914 -3.182 1.00 0.00 N ATOM 937 CA LEU A 131 -3.736 1.699 -2.412 1.00 0.00 C ATOM 938 C LEU A 131 -5.233 1.466 -2.233 1.00 0.00 C ATOM 939 O LEU A 131 -5.647 0.517 -1.566 1.00 0.00 O ATOM 940 CB LEU A 131 -3.055 1.790 -1.046 1.00 0.00 C ATOM 941 CG LEU A 131 -1.561 2.116 -1.061 1.00 0.00 C ATOM 942 CD1 LEU A 131 -1.012 2.168 0.357 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.800 1.095 -1.893 1.00 0.00 C ATOM 0 H LEU A 131 -3.241 3.728 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.319 0.856 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.567 2.551 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.194 0.841 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.427 3.097 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.052 2.401 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.536 2.939 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.158 1.202 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.261 1.343 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.941 0.101 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.175 1.108 -2.916 1.00 0.00 H new ATOM 955 N ASP A 132 -6.038 2.335 -2.833 1.00 0.00 N ATOM 956 CA ASP A 132 -7.489 2.221 -2.743 1.00 0.00 C ATOM 957 C ASP A 132 -8.009 1.138 -3.683 1.00 0.00 C ATOM 958 O ASP A 132 -7.983 1.296 -4.902 1.00 0.00 O ATOM 959 CB ASP A 132 -8.148 3.561 -3.074 1.00 0.00 C ATOM 960 CG ASP A 132 -9.626 3.419 -3.380 1.00 0.00 C ATOM 961 OD1 ASP A 132 -10.433 3.425 -2.427 1.00 0.00 O ATOM 962 OD2 ASP A 132 -9.977 3.301 -4.573 1.00 0.00 O ATOM 0 H ASP A 132 -5.711 3.126 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.744 1.942 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.018 4.244 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.644 4.009 -3.930 1.00 0.00 H new ATOM 967 N ASN A 133 -8.481 0.038 -3.105 1.00 0.00 N ATOM 968 CA ASN A 133 -9.006 -1.073 -3.892 1.00 0.00 C ATOM 969 C ASN A 133 -7.879 -1.821 -4.597 1.00 0.00 C ATOM 970 O ASN A 133 -7.936 -2.061 -5.803 1.00 0.00 O ATOM 971 CB ASN A 133 -10.017 -0.563 -4.921 1.00 0.00 C ATOM 972 CG ASN A 133 -10.986 -1.642 -5.363 1.00 0.00 C ATOM 973 OD1 ASN A 133 -12.055 -1.811 -4.776 1.00 0.00 O ATOM 974 ND2 ASN A 133 -10.616 -2.380 -6.403 1.00 0.00 N ATOM 0 H ASN A 133 -8.511 -0.108 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.506 -1.763 -3.212 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -10.575 0.271 -4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -9.484 -0.179 -5.791 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -11.227 -3.122 -6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -9.721 -2.205 -6.860 1.00 0.00 H new ATOM 981 N THR A 134 -6.852 -2.188 -3.835 1.00 0.00 N ATOM 982 CA THR A 134 -5.711 -2.908 -4.386 1.00 0.00 C ATOM 983 C THR A 134 -5.491 -4.229 -3.657 1.00 0.00 C ATOM 984 O THR A 134 -5.341 -4.256 -2.436 1.00 0.00 O ATOM 985 CB THR A 134 -4.423 -2.068 -4.302 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.178 -1.680 -2.946 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.528 -0.828 -5.178 1.00 0.00 C ATOM 0 H THR A 134 -6.788 -1.998 -2.835 1.00 0.00 H new ATOM 0 HA THR A 134 -5.938 -3.107 -5.433 1.00 0.00 H new ATOM 0 HB THR A 134 -3.594 -2.678 -4.660 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.536 -2.363 -2.341 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.607 -0.250 -5.103 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.685 -1.127 -6.214 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.367 -0.217 -4.845 1.00 0.00 H new ATOM 995 N GLU A 135 -5.472 -5.321 -4.414 1.00 0.00 N ATOM 996 CA GLU A 135 -5.270 -6.645 -3.838 1.00 0.00 C ATOM 997 C GLU A 135 -4.032 -6.668 -2.946 1.00 0.00 C ATOM 998 O GLU A 135 -2.902 -6.711 -3.435 1.00 0.00 O ATOM 999 CB GLU A 135 -5.134 -7.692 -4.945 1.00 0.00 C ATOM 1000 CG GLU A 135 -5.216 -9.124 -4.443 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.981 -10.142 -5.542 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -4.028 -9.959 -6.327 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -5.752 -11.122 -5.616 1.00 0.00 O ATOM 0 H GLU A 135 -5.594 -5.315 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.141 -6.884 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.918 -7.530 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.181 -7.548 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.479 -9.271 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -6.197 -9.294 -3.999 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.252 -6.637 -1.636 1.00 0.00 N ATOM 1011 CA PHE A 136 -3.155 -6.652 -0.676 1.00 0.00 C ATOM 1012 C PHE A 136 -2.972 -8.046 -0.081 1.00 0.00 C ATOM 1013 O PHE A 136 -3.919 -8.641 0.432 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.413 -5.638 0.441 1.00 0.00 C ATOM 1015 CG PHE A 136 -2.216 -5.392 1.315 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -1.853 -6.308 2.289 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.455 -4.245 1.162 1.00 0.00 C ATOM 1018 CE1 PHE A 136 -0.752 -6.084 3.094 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.353 -4.016 1.964 1.00 0.00 C ATOM 1020 CZ PHE A 136 -0.002 -4.936 2.932 1.00 0.00 C ATOM 0 H PHE A 136 -5.180 -6.601 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.241 -6.378 -1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.730 -4.694 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.238 -5.992 1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.437 -7.207 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -1.726 -3.521 0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -0.479 -6.806 3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.233 -3.118 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.858 -4.758 3.561 1.00 0.00 H new ATOM 1030 N GLN A 137 -1.748 -8.558 -0.154 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.441 -9.881 0.376 1.00 0.00 C ATOM 1032 C GLN A 137 -2.486 -10.901 -0.067 1.00 0.00 C ATOM 1033 O GLN A 137 -2.765 -11.866 0.642 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.369 -9.838 1.904 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.033 -9.345 2.436 1.00 0.00 C ATOM 1036 CD GLN A 137 0.320 -9.954 3.779 1.00 0.00 C ATOM 1037 OE1 GLN A 137 -0.375 -10.842 4.273 1.00 0.00 O ATOM 1038 NE2 GLN A 137 1.405 -9.477 4.378 1.00 0.00 N ATOM 0 H GLN A 137 -0.953 -8.077 -0.575 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.472 -10.186 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.161 -9.190 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.561 -10.836 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 137 0.750 -9.582 1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -0.062 -8.259 2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.952 -8.740 3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 137 1.692 -9.847 5.284 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.060 -10.678 -1.245 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.068 -11.586 -1.762 1.00 0.00 C ATOM 1049 C GLY A 138 -5.463 -10.995 -1.708 1.00 0.00 C ATOM 1050 O GLY A 138 -6.235 -11.117 -2.659 1.00 0.00 O ATOM 0 H GLY A 138 -2.846 -9.886 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -3.826 -11.844 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.047 -12.512 -1.188 1.00 0.00 H new ATOM 1054 N LYS A 139 -5.789 -10.353 -0.591 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.101 -9.741 -0.414 1.00 0.00 C ATOM 1056 C LYS A 139 -7.024 -8.229 -0.597 1.00 0.00 C ATOM 1057 O LYS A 139 -6.093 -7.583 -0.118 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.658 -10.070 0.972 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.672 -9.817 2.100 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.332 -9.959 3.461 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.535 -11.420 3.832 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.698 -11.604 4.743 1.00 0.00 N ATOM 0 H LYS A 139 -5.162 -10.243 0.206 1.00 0.00 H new ATOM 0 HA LYS A 139 -7.770 -10.148 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.555 -9.475 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -7.961 -11.117 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -5.842 -10.519 2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.253 -8.816 2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -6.716 -9.472 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.294 -9.447 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -7.687 -12.007 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -6.634 -11.802 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.803 -12.613 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -8.542 -11.064 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.562 -11.264 4.276 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.010 -7.671 -1.293 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.054 -6.235 -1.538 1.00 0.00 C ATOM 1078 C ARG A 140 -8.607 -5.492 -0.326 1.00 0.00 C ATOM 1079 O ARG A 140 -9.591 -5.918 0.279 1.00 0.00 O ATOM 1080 CB ARG A 140 -8.910 -5.932 -2.769 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.227 -4.456 -2.943 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.572 -4.251 -3.622 1.00 0.00 C ATOM 1083 NE ARG A 140 -10.565 -4.723 -5.004 1.00 0.00 N ATOM 1084 CZ ARG A 140 -11.660 -5.082 -5.664 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -12.845 -5.022 -5.071 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -11.573 -5.501 -6.920 1.00 0.00 N ATOM 0 H ARG A 140 -8.788 -8.192 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.035 -5.892 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.392 -6.291 -3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.844 -6.489 -2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.232 -3.967 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.444 -3.982 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.345 -4.779 -3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.831 -3.192 -3.602 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.670 -4.780 -5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -12.917 -4.700 -4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.685 -5.298 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.664 -5.548 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -12.415 -5.776 -7.425 1.00 0.00 H new ATOM 1100 N MET A 141 -7.967 -4.381 0.024 1.00 0.00 N ATOM 1101 CA MET A 141 -8.396 -3.579 1.164 1.00 0.00 C ATOM 1102 C MET A 141 -8.794 -2.175 0.723 1.00 0.00 C ATOM 1103 O MET A 141 -8.212 -1.618 -0.210 1.00 0.00 O ATOM 1104 CB MET A 141 -7.281 -3.502 2.209 1.00 0.00 C ATOM 1105 CG MET A 141 -5.886 -3.618 1.617 1.00 0.00 C ATOM 1106 SD MET A 141 -4.656 -2.687 2.552 1.00 0.00 S ATOM 1107 CE MET A 141 -4.146 -1.479 1.332 1.00 0.00 C ATOM 0 H MET A 141 -7.150 -4.016 -0.465 1.00 0.00 H new ATOM 0 HA MET A 141 -9.267 -4.061 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.362 -2.557 2.746 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.424 -4.297 2.941 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.595 -4.668 1.586 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.901 -3.261 0.587 1.00 0.00 H new ATOM 0 HE1 MET A 141 -3.582 -0.684 1.820 1.00 0.00 H new ATOM 0 HE2 MET A 141 -3.518 -1.961 0.583 1.00 0.00 H new ATOM 0 HE3 MET A 141 -5.027 -1.055 0.849 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.788 -1.606 1.397 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.262 -0.265 1.074 1.00 0.00 C ATOM 1119 C HIS A 142 -9.556 0.782 1.929 1.00 0.00 C ATOM 1120 O HIS A 142 -9.650 0.763 3.157 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.775 -0.173 1.280 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.566 -0.915 0.247 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.854 -0.571 -0.104 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.244 -1.987 -0.513 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.291 -1.401 -1.034 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.333 -2.270 -1.301 1.00 0.00 N ATOM 0 H HIS A 142 -10.281 -2.053 2.170 1.00 0.00 H new ATOM 0 HA HIS A 142 -10.032 -0.068 0.027 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -12.024 -0.564 2.266 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.072 0.876 1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.305 -2.521 -0.502 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.266 -1.374 -1.497 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.392 -3.028 -1.981 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.847 1.695 1.273 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.124 2.751 1.973 1.00 0.00 C ATOM 1137 C VAL A 143 -8.842 4.090 1.840 1.00 0.00 C ATOM 1138 O VAL A 143 -9.241 4.484 0.744 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.687 2.896 1.439 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -5.943 3.985 2.198 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -5.948 1.570 1.533 1.00 0.00 C ATOM 0 H VAL A 143 -8.758 1.725 0.257 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.086 2.466 3.024 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.735 3.186 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.929 4.073 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.463 4.935 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.903 3.728 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.934 1.691 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.908 1.249 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.471 0.819 0.941 1.00 0.00 H new ATOM 1151 N GLN A 144 -9.002 4.783 2.962 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.671 6.079 2.970 1.00 0.00 C ATOM 1153 C GLN A 144 -9.291 6.880 4.210 1.00 0.00 C ATOM 1154 O GLN A 144 -8.551 6.401 5.070 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.189 5.892 2.914 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.791 5.406 4.222 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.266 5.078 4.100 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -14.101 5.970 3.948 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -13.594 3.793 4.165 1.00 0.00 N ATOM 0 H GLN A 144 -8.678 4.470 3.877 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.347 6.633 2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.653 6.839 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.430 5.179 2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.252 4.520 4.558 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.655 6.171 4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -12.869 3.087 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.571 3.512 4.088 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.802 8.104 4.297 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.516 8.973 5.433 1.00 0.00 C ATOM 1170 C LEU A 145 -10.211 8.469 6.694 1.00 0.00 C ATOM 1171 O LEU A 145 -11.380 8.083 6.658 1.00 0.00 O ATOM 1172 CB LEU A 145 -9.961 10.405 5.129 1.00 0.00 C ATOM 1173 CG LEU A 145 -8.953 11.277 4.380 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -7.665 11.409 5.178 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -8.671 10.701 3.000 1.00 0.00 C ATOM 0 H LEU A 145 -10.416 8.516 3.595 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.440 8.962 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.879 10.362 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.206 10.896 6.071 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.383 12.271 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -6.959 12.033 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.880 11.867 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.231 10.421 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -7.952 11.335 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.262 9.696 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -9.597 10.659 2.427 1.00 0.00 H new