USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 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 174 HIS : no HE2:sc= -3.96! C(o=-4!,f=-7!) USER MOD Set 1.2: A 186 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0203) USER MOD Single : A 113 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.83!) USER MOD Single : A 114 LYS NZ :NH3+ -146:sc= -0.516 (180deg=-2.27!) USER MOD Single : A 122 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-8!) USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 124 CYS SG : rot -71:sc= -1.43 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0.115 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.286) USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 144 MET CE :methyl -143:sc= -2.17! (180deg=-3.17!) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -146:sc= -0.429 (180deg=-1.59!) USER MOD Single : A 151 GLN : amide:sc=-0.00922 X(o=-0.0092,f=-0.15) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.6!) USER MOD Single : A 166 SER OG : rot 177:sc= -0.9 USER MOD Single : A 169 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.022) USER MOD Single : A 172 ASN : amide:sc= -0.046 K(o=-0.046,f=-1.2!) USER MOD Single : A 173 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 176 HIS :FLIP no HD1:sc= -4.78! C(o=-6.6!,f=-4.8!) USER MOD Single : A 179 MET CE :methyl -119:sc= -0.0165 (180deg=-1.12) USER MOD Single : A 181 LYS NZ :NH3+ -120:sc= -1.4 (180deg=-3.8!) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 110 N ASN A 113 -5.550 -6.878 10.180 1.00 0.00 N ATOM 111 CA ASN A 113 -4.969 -8.147 9.757 1.00 0.00 C ATOM 112 C ASN A 113 -6.031 -9.051 9.136 1.00 0.00 C ATOM 113 O ASN A 113 -6.050 -10.259 9.374 1.00 0.00 O ATOM 114 CB ASN A 113 -4.313 -8.853 10.945 1.00 0.00 C ATOM 115 CG ASN A 113 -3.686 -7.878 11.923 1.00 0.00 C ATOM 116 OD1 ASN A 113 -3.389 -6.736 11.573 1.00 0.00 O ATOM 117 ND2 ASN A 113 -3.483 -8.327 13.156 1.00 0.00 N ATOM 0 HA ASN A 113 -4.210 -7.938 9.004 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -5.059 -9.454 11.464 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -3.549 -9.539 10.580 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -3.065 -7.717 13.858 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -3.745 -9.282 13.401 1.00 0.00 H new ATOM 124 N LYS A 114 -6.913 -8.457 8.340 1.00 0.00 N ATOM 125 CA LYS A 114 -7.978 -9.207 7.683 1.00 0.00 C ATOM 126 C LYS A 114 -7.662 -9.418 6.206 1.00 0.00 C ATOM 127 O LYS A 114 -7.092 -8.544 5.552 1.00 0.00 O ATOM 128 CB LYS A 114 -9.312 -8.473 7.831 1.00 0.00 C ATOM 129 CG LYS A 114 -10.444 -9.104 7.039 1.00 0.00 C ATOM 130 CD LYS A 114 -11.797 -8.806 7.665 1.00 0.00 C ATOM 131 CE LYS A 114 -12.317 -7.441 7.243 1.00 0.00 C ATOM 132 NZ LYS A 114 -11.495 -6.335 7.807 1.00 0.00 N ATOM 0 H LYS A 114 -6.912 -7.458 8.134 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.052 -10.183 8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.588 -8.447 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.186 -7.439 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.426 -8.730 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.296 -10.183 6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.512 -9.575 7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.713 -8.845 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.319 -7.374 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.350 -7.329 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.106 -5.519 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.036 -6.656 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.768 -6.056 7.117 1.00 0.00 H new ATOM 146 N ILE A 115 -8.038 -10.582 5.686 1.00 0.00 N ATOM 147 CA ILE A 115 -7.797 -10.906 4.286 1.00 0.00 C ATOM 148 C ILE A 115 -9.089 -11.313 3.585 1.00 0.00 C ATOM 149 O ILE A 115 -10.035 -11.773 4.224 1.00 0.00 O ATOM 150 CB ILE A 115 -6.767 -12.042 4.139 1.00 0.00 C ATOM 151 CG1 ILE A 115 -7.354 -13.360 4.647 1.00 0.00 C ATOM 152 CG2 ILE A 115 -5.490 -11.700 4.893 1.00 0.00 C ATOM 153 CD1 ILE A 115 -6.585 -14.580 4.189 1.00 0.00 C ATOM 0 H ILE A 115 -8.511 -11.316 6.214 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.401 -10.005 3.818 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.523 -12.157 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.376 -13.342 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -8.387 -13.443 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.772 -12.512 4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.065 -10.781 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -5.718 -11.562 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -7.057 -15.478 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.584 -14.622 3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.558 -14.520 4.550 1.00 0.00 H new ATOM 165 N PHE A 116 -9.121 -11.142 2.268 1.00 0.00 N ATOM 166 CA PHE A 116 -10.296 -11.492 1.480 1.00 0.00 C ATOM 167 C PHE A 116 -10.079 -12.805 0.733 1.00 0.00 C ATOM 168 O PHE A 116 -9.366 -12.851 -0.270 1.00 0.00 O ATOM 169 CB PHE A 116 -10.622 -10.375 0.486 1.00 0.00 C ATOM 170 CG PHE A 116 -11.480 -10.825 -0.662 1.00 0.00 C ATOM 171 CD1 PHE A 116 -12.848 -10.973 -0.505 1.00 0.00 C ATOM 172 CD2 PHE A 116 -10.917 -11.099 -1.898 1.00 0.00 C ATOM 173 CE1 PHE A 116 -13.639 -11.387 -1.560 1.00 0.00 C ATOM 174 CE2 PHE A 116 -11.703 -11.513 -2.957 1.00 0.00 C ATOM 175 CZ PHE A 116 -13.066 -11.657 -2.787 1.00 0.00 C ATOM 0 H PHE A 116 -8.346 -10.763 1.724 1.00 0.00 H new ATOM 0 HA PHE A 116 -11.136 -11.617 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -11.129 -9.567 1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.691 -9.965 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -13.302 -10.763 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -9.852 -10.988 -2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -14.705 -11.499 -1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -11.252 -11.723 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 116 -13.683 -11.980 -3.613 1.00 0.00 H new ATOM 185 N VAL A 117 -10.699 -13.871 1.229 1.00 0.00 N ATOM 186 CA VAL A 117 -10.575 -15.185 0.609 1.00 0.00 C ATOM 187 C VAL A 117 -11.783 -15.496 -0.267 1.00 0.00 C ATOM 188 O VAL A 117 -12.913 -15.555 0.215 1.00 0.00 O ATOM 189 CB VAL A 117 -10.424 -16.293 1.669 1.00 0.00 C ATOM 190 CG1 VAL A 117 -10.434 -17.665 1.012 1.00 0.00 C ATOM 191 CG2 VAL A 117 -9.151 -16.088 2.476 1.00 0.00 C ATOM 0 H VAL A 117 -11.292 -13.850 2.058 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.678 -15.160 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.272 -16.237 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.326 -18.435 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.376 -17.808 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.607 -17.736 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.060 -16.879 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.289 -16.116 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.190 -15.121 2.978 1.00 0.00 H new ATOM 201 N GLY A 118 -11.535 -15.694 -1.558 1.00 0.00 N ATOM 202 CA GLY A 118 -12.613 -15.997 -2.482 1.00 0.00 C ATOM 203 C GLY A 118 -12.376 -17.284 -3.247 1.00 0.00 C ATOM 204 O GLY A 118 -11.433 -18.020 -2.960 1.00 0.00 O ATOM 0 H GLY A 118 -10.608 -15.650 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.550 -16.073 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.725 -15.174 -3.188 1.00 0.00 H new ATOM 208 N GLY A 119 -13.236 -17.558 -4.223 1.00 0.00 N ATOM 209 CA GLY A 119 -13.100 -18.766 -5.015 1.00 0.00 C ATOM 210 C GLY A 119 -13.093 -20.020 -4.163 1.00 0.00 C ATOM 211 O GLY A 119 -12.666 -21.083 -4.615 1.00 0.00 O ATOM 0 H GLY A 119 -14.025 -16.964 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -13.920 -18.822 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -12.176 -18.717 -5.591 1.00 0.00 H new ATOM 215 N ILE A 120 -13.565 -19.896 -2.927 1.00 0.00 N ATOM 216 CA ILE A 120 -13.610 -21.028 -2.010 1.00 0.00 C ATOM 217 C ILE A 120 -14.564 -22.105 -2.514 1.00 0.00 C ATOM 218 O ILE A 120 -15.656 -21.822 -3.008 1.00 0.00 O ATOM 219 CB ILE A 120 -14.046 -20.592 -0.599 1.00 0.00 C ATOM 220 CG1 ILE A 120 -13.079 -19.545 -0.043 1.00 0.00 C ATOM 221 CG2 ILE A 120 -14.121 -21.796 0.328 1.00 0.00 C ATOM 222 CD1 ILE A 120 -13.658 -18.729 1.091 1.00 0.00 C ATOM 0 H ILE A 120 -13.922 -19.023 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 120 -12.600 -21.434 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 120 -15.038 -20.145 -0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -12.175 -20.045 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -12.782 -18.873 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -14.430 -21.472 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -14.845 -22.511 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -13.141 -22.269 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -12.917 -18.007 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -14.545 -18.200 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -13.930 -19.391 1.914 1.00 0.00 H new ATOM 234 N PRO A 121 -14.145 -23.373 -2.387 1.00 0.00 N ATOM 235 CA PRO A 121 -14.948 -24.520 -2.821 1.00 0.00 C ATOM 236 C PRO A 121 -16.176 -24.734 -1.943 1.00 0.00 C ATOM 237 O PRO A 121 -16.277 -24.173 -0.852 1.00 0.00 O ATOM 238 CB PRO A 121 -13.983 -25.700 -2.688 1.00 0.00 C ATOM 239 CG PRO A 121 -13.004 -25.273 -1.649 1.00 0.00 C ATOM 240 CD PRO A 121 -12.856 -23.785 -1.807 1.00 0.00 C ATOM 0 HA PRO A 121 -15.340 -24.384 -3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -14.507 -26.608 -2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -13.487 -25.915 -3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -13.360 -25.526 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -12.047 -25.777 -1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -12.671 -23.296 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -12.022 -23.531 -2.461 1.00 0.00 H new ATOM 248 N HIS A 122 -17.109 -25.550 -2.425 1.00 0.00 N ATOM 249 CA HIS A 122 -18.330 -25.838 -1.683 1.00 0.00 C ATOM 250 C HIS A 122 -18.079 -26.897 -0.614 1.00 0.00 C ATOM 251 O HIS A 122 -19.017 -27.463 -0.054 1.00 0.00 O ATOM 252 CB HIS A 122 -19.431 -26.309 -2.634 1.00 0.00 C ATOM 253 CG HIS A 122 -20.110 -25.191 -3.364 1.00 0.00 C ATOM 254 ND1 HIS A 122 -21.152 -24.465 -2.826 1.00 0.00 N ATOM 255 CD2 HIS A 122 -19.890 -24.675 -4.595 1.00 0.00 C ATOM 256 CE1 HIS A 122 -21.545 -23.552 -3.696 1.00 0.00 C ATOM 257 NE2 HIS A 122 -20.794 -23.658 -4.778 1.00 0.00 N ATOM 0 H HIS A 122 -17.042 -26.023 -3.326 1.00 0.00 H new ATOM 0 HA HIS A 122 -18.652 -24.920 -1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -19.002 -26.999 -3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -20.176 -26.867 -2.067 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -19.142 -25.002 -5.302 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -22.344 -22.840 -3.548 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -20.873 -23.078 -5.614 1.00 0.00 H new ATOM 265 N ASN A 123 -16.806 -27.160 -0.336 1.00 0.00 N ATOM 266 CA ASN A 123 -16.431 -28.152 0.665 1.00 0.00 C ATOM 267 C ASN A 123 -15.570 -27.525 1.757 1.00 0.00 C ATOM 268 O ASN A 123 -15.527 -28.015 2.886 1.00 0.00 O ATOM 269 CB ASN A 123 -15.677 -29.310 0.008 1.00 0.00 C ATOM 270 CG ASN A 123 -16.605 -30.275 -0.704 1.00 0.00 C ATOM 271 OD1 ASN A 123 -17.563 -29.863 -1.358 1.00 0.00 O ATOM 272 ND2 ASN A 123 -16.324 -31.567 -0.580 1.00 0.00 N ATOM 0 H ASN A 123 -16.017 -26.700 -0.790 1.00 0.00 H new ATOM 0 HA ASN A 123 -17.344 -28.534 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -14.955 -28.912 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -15.111 -29.849 0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -16.913 -32.263 -1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -15.519 -31.863 -0.028 1.00 0.00 H new ATOM 279 N CYS A 124 -14.887 -26.438 1.413 1.00 0.00 N ATOM 280 CA CYS A 124 -14.027 -25.743 2.364 1.00 0.00 C ATOM 281 C CYS A 124 -14.857 -24.947 3.366 1.00 0.00 C ATOM 282 O CYS A 124 -15.788 -24.236 2.991 1.00 0.00 O ATOM 283 CB CYS A 124 -13.065 -24.811 1.627 1.00 0.00 C ATOM 284 SG CYS A 124 -12.204 -23.639 2.700 1.00 0.00 S ATOM 0 H CYS A 124 -14.912 -26.020 0.483 1.00 0.00 H new ATOM 0 HA CYS A 124 -13.451 -26.491 2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -12.326 -25.413 1.099 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -13.622 -24.255 0.873 1.00 0.00 H new ATOM 0 HG CYS A 124 -13.043 -22.741 3.124 1.00 0.00 H new ATOM 290 N GLY A 125 -14.513 -25.073 4.645 1.00 0.00 N ATOM 291 CA GLY A 125 -15.237 -24.361 5.681 1.00 0.00 C ATOM 292 C GLY A 125 -14.314 -23.634 6.639 1.00 0.00 C ATOM 293 O GLY A 125 -13.151 -23.386 6.321 1.00 0.00 O ATOM 0 H GLY A 125 -13.746 -25.655 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -15.914 -23.643 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -15.853 -25.066 6.239 1.00 0.00 H new ATOM 297 N GLU A 126 -14.833 -23.290 7.813 1.00 0.00 N ATOM 298 CA GLU A 126 -14.047 -22.584 8.818 1.00 0.00 C ATOM 299 C GLU A 126 -12.805 -23.385 9.198 1.00 0.00 C ATOM 300 O GLU A 126 -11.676 -22.947 8.974 1.00 0.00 O ATOM 301 CB GLU A 126 -14.894 -22.314 10.063 1.00 0.00 C ATOM 302 CG GLU A 126 -14.173 -21.502 11.126 1.00 0.00 C ATOM 303 CD GLU A 126 -15.103 -21.012 12.218 1.00 0.00 C ATOM 304 OE1 GLU A 126 -16.065 -20.283 11.895 1.00 0.00 O ATOM 305 OE2 GLU A 126 -14.871 -21.357 13.395 1.00 0.00 O ATOM 0 H GLU A 126 -15.794 -23.489 8.092 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.729 -21.633 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -15.801 -21.786 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.205 -23.266 10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -13.386 -22.111 11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -13.687 -20.646 10.657 1.00 0.00 H new ATOM 312 N THR A 127 -13.022 -24.563 9.776 1.00 0.00 N ATOM 313 CA THR A 127 -11.922 -25.426 10.189 1.00 0.00 C ATOM 314 C THR A 127 -10.849 -25.504 9.109 1.00 0.00 C ATOM 315 O THR A 127 -9.693 -25.154 9.345 1.00 0.00 O ATOM 316 CB THR A 127 -12.415 -26.849 10.511 1.00 0.00 C ATOM 317 OG1 THR A 127 -13.433 -26.799 11.517 1.00 0.00 O ATOM 318 CG2 THR A 127 -11.266 -27.725 10.987 1.00 0.00 C ATOM 0 H THR A 127 -13.950 -24.941 9.969 1.00 0.00 H new ATOM 0 HA THR A 127 -11.495 -24.985 11.090 1.00 0.00 H new ATOM 0 HB THR A 127 -12.827 -27.282 9.600 1.00 0.00 H new ATOM 0 HG1 THR A 127 -13.742 -27.708 11.715 1.00 0.00 H new ATOM 0 HG21 THR A 127 -11.639 -28.725 11.208 1.00 0.00 H new ATOM 0 HG22 THR A 127 -10.507 -27.785 10.207 1.00 0.00 H new ATOM 0 HG23 THR A 127 -10.828 -27.293 11.887 1.00 0.00 H new ATOM 326 N GLU A 128 -11.240 -25.964 7.925 1.00 0.00 N ATOM 327 CA GLU A 128 -10.309 -26.087 6.809 1.00 0.00 C ATOM 328 C GLU A 128 -9.536 -24.789 6.600 1.00 0.00 C ATOM 329 O GLU A 128 -8.314 -24.749 6.751 1.00 0.00 O ATOM 330 CB GLU A 128 -11.060 -26.460 5.529 1.00 0.00 C ATOM 331 CG GLU A 128 -11.678 -27.847 5.567 1.00 0.00 C ATOM 332 CD GLU A 128 -10.691 -28.913 6.002 1.00 0.00 C ATOM 333 OE1 GLU A 128 -9.686 -29.119 5.290 1.00 0.00 O ATOM 334 OE2 GLU A 128 -10.924 -29.542 7.056 1.00 0.00 O ATOM 0 H GLU A 128 -12.194 -26.257 7.714 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.598 -26.878 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.846 -25.726 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.373 -26.401 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.528 -27.844 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.064 -28.096 4.579 1.00 0.00 H new ATOM 341 N LEU A 129 -10.256 -23.728 6.250 1.00 0.00 N ATOM 342 CA LEU A 129 -9.639 -22.427 6.018 1.00 0.00 C ATOM 343 C LEU A 129 -8.464 -22.206 6.965 1.00 0.00 C ATOM 344 O LEU A 129 -7.358 -21.880 6.532 1.00 0.00 O ATOM 345 CB LEU A 129 -10.671 -21.312 6.198 1.00 0.00 C ATOM 346 CG LEU A 129 -11.668 -21.129 5.053 1.00 0.00 C ATOM 347 CD1 LEU A 129 -12.806 -20.215 5.478 1.00 0.00 C ATOM 348 CD2 LEU A 129 -10.968 -20.576 3.820 1.00 0.00 C ATOM 0 H LEU A 129 -11.268 -23.744 6.121 1.00 0.00 H new ATOM 0 HA LEU A 129 -9.266 -22.406 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -11.231 -21.507 7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -10.139 -20.372 6.344 1.00 0.00 H new ATOM 0 HG LEU A 129 -12.087 -22.103 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -13.506 -20.096 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -13.324 -20.652 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -12.405 -19.240 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -11.693 -20.452 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -10.521 -19.611 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -10.188 -21.269 3.503 1.00 0.00 H new ATOM 360 N ARG A 130 -8.710 -22.386 8.259 1.00 0.00 N ATOM 361 CA ARG A 130 -7.672 -22.207 9.267 1.00 0.00 C ATOM 362 C ARG A 130 -6.581 -23.263 9.117 1.00 0.00 C ATOM 363 O ARG A 130 -5.400 -22.937 9.006 1.00 0.00 O ATOM 364 CB ARG A 130 -8.277 -22.277 10.670 1.00 0.00 C ATOM 365 CG ARG A 130 -9.483 -21.372 10.859 1.00 0.00 C ATOM 366 CD ARG A 130 -10.256 -21.731 12.119 1.00 0.00 C ATOM 367 NE ARG A 130 -9.499 -21.429 13.331 1.00 0.00 N ATOM 368 CZ ARG A 130 -9.774 -21.955 14.519 1.00 0.00 C ATOM 369 NH1 ARG A 130 -10.782 -22.805 14.655 1.00 0.00 N ATOM 370 NH2 ARG A 130 -9.038 -21.631 15.575 1.00 0.00 N ATOM 0 H ARG A 130 -9.619 -22.656 8.634 1.00 0.00 H new ATOM 0 HA ARG A 130 -7.224 -21.224 9.121 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -8.569 -23.306 10.880 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -7.513 -22.008 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -9.155 -20.334 10.915 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -10.139 -21.453 9.993 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -11.198 -21.183 12.134 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -10.504 -22.792 12.102 1.00 0.00 H new ATOM 0 HE ARG A 130 -8.716 -20.779 13.261 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.349 -23.057 13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -10.990 -23.207 15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -8.261 -20.978 15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -9.249 -22.035 16.487 1.00 0.00 H new ATOM 384 N GLU A 131 -6.987 -24.529 9.117 1.00 0.00 N ATOM 385 CA GLU A 131 -6.043 -25.633 8.983 1.00 0.00 C ATOM 386 C GLU A 131 -5.082 -25.389 7.824 1.00 0.00 C ATOM 387 O GLU A 131 -3.958 -25.893 7.818 1.00 0.00 O ATOM 388 CB GLU A 131 -6.792 -26.950 8.771 1.00 0.00 C ATOM 389 CG GLU A 131 -7.416 -27.507 10.039 1.00 0.00 C ATOM 390 CD GLU A 131 -6.460 -27.491 11.216 1.00 0.00 C ATOM 391 OE1 GLU A 131 -5.255 -27.746 11.004 1.00 0.00 O ATOM 392 OE2 GLU A 131 -6.915 -27.224 12.348 1.00 0.00 O ATOM 0 H GLU A 131 -7.962 -24.815 9.208 1.00 0.00 H new ATOM 0 HA GLU A 131 -5.464 -25.697 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -7.575 -26.797 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -6.103 -27.688 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.303 -26.925 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -7.746 -28.530 9.858 1.00 0.00 H new ATOM 399 N TYR A 132 -5.531 -24.613 6.844 1.00 0.00 N ATOM 400 CA TYR A 132 -4.713 -24.304 5.677 1.00 0.00 C ATOM 401 C TYR A 132 -4.094 -22.915 5.798 1.00 0.00 C ATOM 402 O TYR A 132 -3.088 -22.612 5.157 1.00 0.00 O ATOM 403 CB TYR A 132 -5.552 -24.391 4.402 1.00 0.00 C ATOM 404 CG TYR A 132 -4.732 -24.347 3.133 1.00 0.00 C ATOM 405 CD1 TYR A 132 -4.160 -23.160 2.692 1.00 0.00 C ATOM 406 CD2 TYR A 132 -4.528 -25.494 2.374 1.00 0.00 C ATOM 407 CE1 TYR A 132 -3.410 -23.115 1.533 1.00 0.00 C ATOM 408 CE2 TYR A 132 -3.778 -25.458 1.214 1.00 0.00 C ATOM 409 CZ TYR A 132 -3.222 -24.267 0.797 1.00 0.00 C ATOM 410 OH TYR A 132 -2.475 -24.227 -0.357 1.00 0.00 O ATOM 0 H TYR A 132 -6.457 -24.186 6.834 1.00 0.00 H new ATOM 0 HA TYR A 132 -3.908 -25.037 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -6.129 -25.315 4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -6.267 -23.569 4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -4.304 -22.256 3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -4.963 -26.428 2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.973 -22.183 1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -3.628 -26.358 0.637 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.439 -25.122 -0.755 1.00 0.00 H new ATOM 420 N PHE A 133 -4.704 -22.073 6.626 1.00 0.00 N ATOM 421 CA PHE A 133 -4.215 -20.715 6.832 1.00 0.00 C ATOM 422 C PHE A 133 -3.531 -20.583 8.190 1.00 0.00 C ATOM 423 O PHE A 133 -3.285 -19.476 8.670 1.00 0.00 O ATOM 424 CB PHE A 133 -5.368 -19.714 6.731 1.00 0.00 C ATOM 425 CG PHE A 133 -5.769 -19.402 5.317 1.00 0.00 C ATOM 426 CD1 PHE A 133 -4.810 -19.116 4.358 1.00 0.00 C ATOM 427 CD2 PHE A 133 -7.104 -19.395 4.947 1.00 0.00 C ATOM 428 CE1 PHE A 133 -5.176 -18.830 3.056 1.00 0.00 C ATOM 429 CE2 PHE A 133 -7.475 -19.109 3.647 1.00 0.00 C ATOM 430 CZ PHE A 133 -6.510 -18.825 2.701 1.00 0.00 C ATOM 0 H PHE A 133 -5.538 -22.307 7.165 1.00 0.00 H new ATOM 0 HA PHE A 133 -3.484 -20.497 6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -6.231 -20.111 7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -5.081 -18.789 7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -3.765 -19.117 4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -7.863 -19.616 5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -4.419 -18.611 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -8.519 -19.108 3.371 1.00 0.00 H new ATOM 0 HZ PHE A 133 -6.798 -18.599 1.685 1.00 0.00 H new ATOM 440 N LYS A 134 -3.226 -21.721 8.804 1.00 0.00 N ATOM 441 CA LYS A 134 -2.570 -21.736 10.106 1.00 0.00 C ATOM 442 C LYS A 134 -1.058 -21.866 9.952 1.00 0.00 C ATOM 443 O LYS A 134 -0.301 -21.579 10.880 1.00 0.00 O ATOM 444 CB LYS A 134 -3.107 -22.888 10.958 1.00 0.00 C ATOM 445 CG LYS A 134 -2.637 -24.257 10.496 1.00 0.00 C ATOM 446 CD LYS A 134 -2.708 -25.279 11.619 1.00 0.00 C ATOM 447 CE LYS A 134 -2.652 -26.701 11.082 1.00 0.00 C ATOM 448 NZ LYS A 134 -1.289 -27.060 10.602 1.00 0.00 N ATOM 0 H LYS A 134 -3.423 -22.645 8.421 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.787 -20.791 10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -2.799 -22.738 11.993 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -4.197 -22.863 10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.251 -24.591 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -1.612 -24.187 10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.882 -25.118 12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -3.630 -25.138 12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -2.956 -27.397 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.365 -26.809 10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -1.293 -28.036 10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.008 -26.412 9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -0.612 -26.982 11.388 1.00 0.00 H new ATOM 462 N LYS A 135 -0.623 -22.299 8.773 1.00 0.00 N ATOM 463 CA LYS A 135 0.798 -22.465 8.495 1.00 0.00 C ATOM 464 C LYS A 135 1.460 -21.118 8.221 1.00 0.00 C ATOM 465 O LYS A 135 2.596 -20.878 8.630 1.00 0.00 O ATOM 466 CB LYS A 135 1.000 -23.397 7.299 1.00 0.00 C ATOM 467 CG LYS A 135 0.205 -22.991 6.070 1.00 0.00 C ATOM 468 CD LYS A 135 0.729 -23.671 4.816 1.00 0.00 C ATOM 469 CE LYS A 135 0.054 -25.014 4.588 1.00 0.00 C ATOM 470 NZ LYS A 135 0.759 -26.117 5.299 1.00 0.00 N ATOM 0 H LYS A 135 -1.236 -22.541 7.994 1.00 0.00 H new ATOM 0 HA LYS A 135 1.265 -22.907 9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 135 2.059 -23.423 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 135 0.717 -24.410 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -0.844 -23.249 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 135 0.253 -21.909 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 135 0.560 -23.026 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 135 1.806 -23.814 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -0.980 -24.964 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 135 0.026 -25.230 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.527 -27.025 4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.786 -25.960 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 0.457 -26.137 6.294 1.00 0.00 H new ATOM 484 N PHE A 136 0.741 -20.241 7.528 1.00 0.00 N ATOM 485 CA PHE A 136 1.258 -18.918 7.199 1.00 0.00 C ATOM 486 C PHE A 136 1.469 -18.088 8.462 1.00 0.00 C ATOM 487 O PHE A 136 2.397 -17.285 8.543 1.00 0.00 O ATOM 488 CB PHE A 136 0.299 -18.193 6.252 1.00 0.00 C ATOM 489 CG PHE A 136 0.334 -18.719 4.846 1.00 0.00 C ATOM 490 CD1 PHE A 136 1.509 -18.693 4.112 1.00 0.00 C ATOM 491 CD2 PHE A 136 -0.808 -19.239 4.258 1.00 0.00 C ATOM 492 CE1 PHE A 136 1.543 -19.175 2.817 1.00 0.00 C ATOM 493 CE2 PHE A 136 -0.779 -19.723 2.964 1.00 0.00 C ATOM 494 CZ PHE A 136 0.398 -19.692 2.243 1.00 0.00 C ATOM 0 H PHE A 136 -0.202 -20.423 7.183 1.00 0.00 H new ATOM 0 HA PHE A 136 2.220 -19.044 6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -0.716 -18.280 6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.546 -17.131 6.241 1.00 0.00 H new ATOM 0 HD1 PHE A 136 2.408 -18.292 4.557 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -1.731 -19.266 4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 136 2.464 -19.147 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -1.676 -20.125 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.423 -20.071 1.232 1.00 0.00 H new ATOM 504 N GLY A 137 0.598 -18.288 9.447 1.00 0.00 N ATOM 505 CA GLY A 137 0.705 -17.550 10.692 1.00 0.00 C ATOM 506 C GLY A 137 -0.224 -18.086 11.764 1.00 0.00 C ATOM 507 O GLY A 137 -0.065 -19.215 12.226 1.00 0.00 O ATOM 0 H GLY A 137 -0.179 -18.947 9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 137 1.733 -17.595 11.051 1.00 0.00 H new ATOM 0 HA3 GLY A 137 0.477 -16.500 10.509 1.00 0.00 H new ATOM 511 N VAL A 138 -1.197 -17.272 12.162 1.00 0.00 N ATOM 512 CA VAL A 138 -2.155 -17.669 13.187 1.00 0.00 C ATOM 513 C VAL A 138 -3.517 -17.029 12.945 1.00 0.00 C ATOM 514 O VAL A 138 -3.687 -15.822 13.119 1.00 0.00 O ATOM 515 CB VAL A 138 -1.662 -17.286 14.595 1.00 0.00 C ATOM 516 CG1 VAL A 138 -2.798 -17.378 15.602 1.00 0.00 C ATOM 517 CG2 VAL A 138 -0.497 -18.170 15.011 1.00 0.00 C ATOM 0 H VAL A 138 -1.342 -16.333 11.790 1.00 0.00 H new ATOM 0 HA VAL A 138 -2.251 -18.753 13.127 1.00 0.00 H new ATOM 0 HB VAL A 138 -1.313 -16.254 14.570 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.431 -17.104 16.591 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -3.598 -16.698 15.311 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -3.180 -18.398 15.627 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -0.162 -17.885 16.008 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -0.816 -19.212 15.020 1.00 0.00 H new ATOM 0 HG23 VAL A 138 0.323 -18.047 14.304 1.00 0.00 H new ATOM 527 N VAL A 139 -4.485 -17.845 12.542 1.00 0.00 N ATOM 528 CA VAL A 139 -5.834 -17.358 12.277 1.00 0.00 C ATOM 529 C VAL A 139 -6.576 -17.062 13.575 1.00 0.00 C ATOM 530 O VAL A 139 -6.999 -17.975 14.285 1.00 0.00 O ATOM 531 CB VAL A 139 -6.647 -18.376 11.455 1.00 0.00 C ATOM 532 CG1 VAL A 139 -8.023 -17.819 11.124 1.00 0.00 C ATOM 533 CG2 VAL A 139 -5.897 -18.755 10.187 1.00 0.00 C ATOM 0 H VAL A 139 -4.361 -18.846 12.392 1.00 0.00 H new ATOM 0 HA VAL A 139 -5.731 -16.438 11.702 1.00 0.00 H new ATOM 0 HB VAL A 139 -6.781 -19.277 12.054 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -8.582 -18.552 10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -8.560 -17.602 12.048 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -7.915 -16.903 10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 139 -6.485 -19.475 9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -5.731 -17.863 9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -4.937 -19.199 10.451 1.00 0.00 H new ATOM 543 N THR A 140 -6.733 -15.778 13.882 1.00 0.00 N ATOM 544 CA THR A 140 -7.424 -15.360 15.095 1.00 0.00 C ATOM 545 C THR A 140 -8.936 -15.392 14.905 1.00 0.00 C ATOM 546 O THR A 140 -9.681 -15.673 15.843 1.00 0.00 O ATOM 547 CB THR A 140 -7.001 -13.941 15.522 1.00 0.00 C ATOM 548 OG1 THR A 140 -7.140 -13.037 14.420 1.00 0.00 O ATOM 549 CG2 THR A 140 -5.562 -13.930 16.015 1.00 0.00 C ATOM 0 H THR A 140 -6.390 -15.009 13.306 1.00 0.00 H new ATOM 0 HA THR A 140 -7.144 -16.065 15.877 1.00 0.00 H new ATOM 0 HB THR A 140 -7.650 -13.622 16.338 1.00 0.00 H new ATOM 0 HG1 THR A 140 -6.871 -12.137 14.699 1.00 0.00 H new ATOM 0 HG21 THR A 140 -5.286 -12.918 16.311 1.00 0.00 H new ATOM 0 HG22 THR A 140 -5.466 -14.597 16.872 1.00 0.00 H new ATOM 0 HG23 THR A 140 -4.901 -14.267 15.216 1.00 0.00 H new ATOM 557 N GLU A 141 -9.381 -15.103 13.687 1.00 0.00 N ATOM 558 CA GLU A 141 -10.806 -15.099 13.376 1.00 0.00 C ATOM 559 C GLU A 141 -11.047 -15.495 11.922 1.00 0.00 C ATOM 560 O GLU A 141 -10.187 -15.299 11.063 1.00 0.00 O ATOM 561 CB GLU A 141 -11.406 -13.717 13.646 1.00 0.00 C ATOM 562 CG GLU A 141 -12.869 -13.758 14.052 1.00 0.00 C ATOM 563 CD GLU A 141 -13.055 -13.875 15.553 1.00 0.00 C ATOM 564 OE1 GLU A 141 -12.281 -14.619 16.191 1.00 0.00 O ATOM 565 OE2 GLU A 141 -13.975 -13.223 16.089 1.00 0.00 O ATOM 0 H GLU A 141 -8.776 -14.869 12.900 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.294 -15.831 14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -10.832 -13.229 14.434 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -11.303 -13.104 12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -13.366 -12.855 13.697 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -13.355 -14.602 13.563 1.00 0.00 H new ATOM 572 N VAL A 142 -12.222 -16.055 11.654 1.00 0.00 N ATOM 573 CA VAL A 142 -12.577 -16.478 10.305 1.00 0.00 C ATOM 574 C VAL A 142 -13.961 -15.970 9.916 1.00 0.00 C ATOM 575 O VAL A 142 -14.977 -16.480 10.389 1.00 0.00 O ATOM 576 CB VAL A 142 -12.550 -18.013 10.173 1.00 0.00 C ATOM 577 CG1 VAL A 142 -12.965 -18.436 8.772 1.00 0.00 C ATOM 578 CG2 VAL A 142 -11.169 -18.552 10.515 1.00 0.00 C ATOM 0 H VAL A 142 -12.944 -16.226 12.353 1.00 0.00 H new ATOM 0 HA VAL A 142 -11.834 -16.049 9.633 1.00 0.00 H new ATOM 0 HB VAL A 142 -13.265 -18.434 10.880 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.940 -19.523 8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -13.976 -18.082 8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -12.277 -18.007 8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.168 -19.638 10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.433 -18.125 9.834 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -10.916 -18.280 11.540 1.00 0.00 H new ATOM 588 N VAL A 143 -13.994 -14.963 9.050 1.00 0.00 N ATOM 589 CA VAL A 143 -15.253 -14.386 8.595 1.00 0.00 C ATOM 590 C VAL A 143 -15.742 -15.068 7.322 1.00 0.00 C ATOM 591 O VAL A 143 -14.947 -15.432 6.457 1.00 0.00 O ATOM 592 CB VAL A 143 -15.116 -12.874 8.334 1.00 0.00 C ATOM 593 CG1 VAL A 143 -16.454 -12.280 7.921 1.00 0.00 C ATOM 594 CG2 VAL A 143 -14.569 -12.169 9.566 1.00 0.00 C ATOM 0 H VAL A 143 -13.162 -14.529 8.649 1.00 0.00 H new ATOM 0 HA VAL A 143 -15.980 -14.545 9.391 1.00 0.00 H new ATOM 0 HB VAL A 143 -14.412 -12.726 7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -16.338 -11.211 7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -16.802 -12.766 7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -17.183 -12.437 8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -14.478 -11.102 9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -15.248 -12.324 10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -13.588 -12.576 9.813 1.00 0.00 H new ATOM 604 N MET A 144 -17.056 -15.236 7.215 1.00 0.00 N ATOM 605 CA MET A 144 -17.651 -15.873 6.046 1.00 0.00 C ATOM 606 C MET A 144 -18.979 -15.215 5.685 1.00 0.00 C ATOM 607 O MET A 144 -19.818 -14.972 6.553 1.00 0.00 O ATOM 608 CB MET A 144 -17.863 -17.366 6.305 1.00 0.00 C ATOM 609 CG MET A 144 -16.606 -18.200 6.117 1.00 0.00 C ATOM 610 SD MET A 144 -16.945 -19.970 6.081 1.00 0.00 S ATOM 611 CE MET A 144 -16.316 -20.403 4.461 1.00 0.00 C ATOM 0 H MET A 144 -17.728 -14.940 7.923 1.00 0.00 H new ATOM 0 HA MET A 144 -16.965 -15.750 5.208 1.00 0.00 H new ATOM 0 HB2 MET A 144 -18.230 -17.501 7.322 1.00 0.00 H new ATOM 0 HB3 MET A 144 -18.638 -17.736 5.634 1.00 0.00 H new ATOM 0 HG2 MET A 144 -16.117 -17.909 5.187 1.00 0.00 H new ATOM 0 HG3 MET A 144 -15.907 -17.984 6.925 1.00 0.00 H new ATOM 0 HE1 MET A 144 -16.957 -21.162 4.013 1.00 0.00 H new ATOM 0 HE2 MET A 144 -16.304 -19.517 3.827 1.00 0.00 H new ATOM 0 HE3 MET A 144 -15.303 -20.794 4.557 1.00 0.00 H new ATOM 621 N ILE A 145 -19.162 -14.928 4.401 1.00 0.00 N ATOM 622 CA ILE A 145 -20.388 -14.298 3.926 1.00 0.00 C ATOM 623 C ILE A 145 -21.364 -15.336 3.380 1.00 0.00 C ATOM 624 O ILE A 145 -20.963 -16.283 2.703 1.00 0.00 O ATOM 625 CB ILE A 145 -20.098 -13.256 2.831 1.00 0.00 C ATOM 626 CG1 ILE A 145 -19.206 -12.141 3.380 1.00 0.00 C ATOM 627 CG2 ILE A 145 -21.399 -12.682 2.288 1.00 0.00 C ATOM 628 CD1 ILE A 145 -18.516 -11.334 2.303 1.00 0.00 C ATOM 0 H ILE A 145 -18.477 -15.122 3.671 1.00 0.00 H new ATOM 0 HA ILE A 145 -20.837 -13.796 4.783 1.00 0.00 H new ATOM 0 HB ILE A 145 -19.571 -13.748 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -19.810 -11.472 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -18.452 -12.579 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -21.177 -11.947 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -22.002 -13.485 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -21.951 -12.203 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -17.901 -10.562 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -17.885 -11.991 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -19.264 -10.867 1.663 1.00 0.00 H new ATOM 640 N TYR A 146 -22.645 -15.149 3.678 1.00 0.00 N ATOM 641 CA TYR A 146 -23.678 -16.069 3.217 1.00 0.00 C ATOM 642 C TYR A 146 -25.067 -15.561 3.592 1.00 0.00 C ATOM 643 O TYR A 146 -25.207 -14.655 4.414 1.00 0.00 O ATOM 644 CB TYR A 146 -23.454 -17.460 3.812 1.00 0.00 C ATOM 645 CG TYR A 146 -23.002 -17.436 5.255 1.00 0.00 C ATOM 646 CD1 TYR A 146 -23.692 -16.696 6.207 1.00 0.00 C ATOM 647 CD2 TYR A 146 -21.885 -18.152 5.666 1.00 0.00 C ATOM 648 CE1 TYR A 146 -23.283 -16.669 7.526 1.00 0.00 C ATOM 649 CE2 TYR A 146 -21.469 -18.133 6.983 1.00 0.00 C ATOM 650 CZ TYR A 146 -22.171 -17.390 7.909 1.00 0.00 C ATOM 651 OH TYR A 146 -21.759 -17.368 9.222 1.00 0.00 O ATOM 0 H TYR A 146 -22.993 -14.369 4.236 1.00 0.00 H new ATOM 0 HA TYR A 146 -23.615 -16.131 2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 146 -24.380 -18.030 3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 146 -22.708 -17.985 3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 146 -24.564 -16.132 5.910 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -21.332 -18.734 4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 146 -23.830 -16.087 8.253 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -20.599 -18.697 7.286 1.00 0.00 H new ATOM 0 HH TYR A 146 -20.962 -17.929 9.324 1.00 0.00 H new ATOM 661 N ASP A 147 -26.089 -16.151 2.983 1.00 0.00 N ATOM 662 CA ASP A 147 -27.468 -15.760 3.253 1.00 0.00 C ATOM 663 C ASP A 147 -28.023 -16.520 4.454 1.00 0.00 C ATOM 664 O ASP A 147 -28.257 -17.726 4.384 1.00 0.00 O ATOM 665 CB ASP A 147 -28.343 -16.016 2.024 1.00 0.00 C ATOM 666 CG ASP A 147 -29.768 -15.536 2.218 1.00 0.00 C ATOM 667 OD1 ASP A 147 -29.973 -14.584 3.000 1.00 0.00 O ATOM 668 OD2 ASP A 147 -30.678 -16.113 1.588 1.00 0.00 O ATOM 0 H ASP A 147 -25.989 -16.901 2.299 1.00 0.00 H new ATOM 0 HA ASP A 147 -27.479 -14.695 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -27.908 -15.513 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -28.349 -17.083 1.802 1.00 0.00 H new ATOM 673 N ALA A 148 -28.230 -15.805 5.555 1.00 0.00 N ATOM 674 CA ALA A 148 -28.758 -16.411 6.771 1.00 0.00 C ATOM 675 C ALA A 148 -29.749 -17.523 6.445 1.00 0.00 C ATOM 676 O ALA A 148 -29.574 -18.665 6.867 1.00 0.00 O ATOM 677 CB ALA A 148 -29.417 -15.353 7.644 1.00 0.00 C ATOM 0 H ALA A 148 -28.040 -14.806 5.630 1.00 0.00 H new ATOM 0 HA ALA A 148 -27.925 -16.852 7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -29.807 -15.819 8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -28.682 -14.595 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -30.235 -14.886 7.095 1.00 0.00 H new ATOM 683 N GLU A 149 -30.790 -17.180 5.692 1.00 0.00 N ATOM 684 CA GLU A 149 -31.809 -18.151 5.311 1.00 0.00 C ATOM 685 C GLU A 149 -31.185 -19.515 5.035 1.00 0.00 C ATOM 686 O GLU A 149 -31.688 -20.544 5.486 1.00 0.00 O ATOM 687 CB GLU A 149 -32.570 -17.666 4.075 1.00 0.00 C ATOM 688 CG GLU A 149 -33.880 -18.399 3.841 1.00 0.00 C ATOM 689 CD GLU A 149 -34.612 -17.907 2.608 1.00 0.00 C ATOM 690 OE1 GLU A 149 -34.931 -16.700 2.551 1.00 0.00 O ATOM 691 OE2 GLU A 149 -34.865 -18.726 1.700 1.00 0.00 O ATOM 0 H GLU A 149 -30.949 -16.238 5.334 1.00 0.00 H new ATOM 0 HA GLU A 149 -32.507 -18.252 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -32.773 -16.600 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -31.935 -17.785 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -33.682 -19.466 3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -34.522 -18.276 4.713 1.00 0.00 H new ATOM 698 N LYS A 150 -30.084 -19.516 4.290 1.00 0.00 N ATOM 699 CA LYS A 150 -29.389 -20.752 3.953 1.00 0.00 C ATOM 700 C LYS A 150 -28.415 -21.148 5.059 1.00 0.00 C ATOM 701 O LYS A 150 -28.250 -22.330 5.359 1.00 0.00 O ATOM 702 CB LYS A 150 -28.637 -20.594 2.630 1.00 0.00 C ATOM 703 CG LYS A 150 -27.958 -21.869 2.160 1.00 0.00 C ATOM 704 CD LYS A 150 -28.951 -22.829 1.528 1.00 0.00 C ATOM 705 CE LYS A 150 -29.117 -22.560 0.040 1.00 0.00 C ATOM 706 NZ LYS A 150 -30.071 -21.446 -0.219 1.00 0.00 N ATOM 0 H LYS A 150 -29.654 -18.673 3.908 1.00 0.00 H new ATOM 0 HA LYS A 150 -30.134 -21.541 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -29.335 -20.260 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -27.886 -19.812 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -27.179 -21.623 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -27.468 -22.354 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -28.613 -23.854 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -29.916 -22.735 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -28.148 -22.317 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -29.471 -23.464 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -30.594 -21.634 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -30.741 -21.371 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -29.545 -20.554 -0.313 1.00 0.00 H new ATOM 720 N GLN A 151 -27.774 -20.151 5.661 1.00 0.00 N ATOM 721 CA GLN A 151 -26.818 -20.396 6.734 1.00 0.00 C ATOM 722 C GLN A 151 -25.667 -21.271 6.248 1.00 0.00 C ATOM 723 O GLN A 151 -25.355 -22.297 6.853 1.00 0.00 O ATOM 724 CB GLN A 151 -27.512 -21.062 7.923 1.00 0.00 C ATOM 725 CG GLN A 151 -28.057 -20.073 8.941 1.00 0.00 C ATOM 726 CD GLN A 151 -28.063 -20.631 10.351 1.00 0.00 C ATOM 727 OE1 GLN A 151 -27.038 -21.093 10.853 1.00 0.00 O ATOM 728 NE2 GLN A 151 -29.222 -20.591 10.998 1.00 0.00 N ATOM 0 H GLN A 151 -27.899 -19.167 5.424 1.00 0.00 H new ATOM 0 HA GLN A 151 -26.412 -19.435 7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -28.331 -21.681 7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -26.806 -21.729 8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -27.456 -19.164 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -29.072 -19.792 8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -30.047 -20.199 10.543 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -29.288 -20.952 11.950 1.00 0.00 H new ATOM 737 N ARG A 152 -25.039 -20.858 5.151 1.00 0.00 N ATOM 738 CA ARG A 152 -23.923 -21.605 4.583 1.00 0.00 C ATOM 739 C ARG A 152 -23.096 -20.723 3.653 1.00 0.00 C ATOM 740 O ARG A 152 -23.626 -19.930 2.874 1.00 0.00 O ATOM 741 CB ARG A 152 -24.436 -22.828 3.821 1.00 0.00 C ATOM 742 CG ARG A 152 -23.553 -23.232 2.651 1.00 0.00 C ATOM 743 CD ARG A 152 -23.643 -24.724 2.373 1.00 0.00 C ATOM 744 NE ARG A 152 -23.133 -25.066 1.049 1.00 0.00 N ATOM 745 CZ ARG A 152 -21.840 -25.188 0.768 1.00 0.00 C ATOM 746 NH1 ARG A 152 -20.932 -24.997 1.716 1.00 0.00 N ATOM 747 NH2 ARG A 152 -21.453 -25.502 -0.461 1.00 0.00 N ATOM 0 H ARG A 152 -25.284 -20.011 4.639 1.00 0.00 H new ATOM 0 HA ARG A 152 -23.286 -21.937 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -24.517 -23.668 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -25.441 -22.621 3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -23.850 -22.677 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -22.519 -22.963 2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -23.079 -25.268 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -24.681 -25.046 2.456 1.00 0.00 H new ATOM 0 HE ARG A 152 -23.806 -25.220 0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -21.226 -24.756 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -19.940 -25.091 1.498 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -22.148 -25.650 -1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -20.460 -25.595 -0.675 1.00 0.00 H new ATOM 761 N PRO A 153 -21.764 -20.862 3.735 1.00 0.00 N ATOM 762 CA PRO A 153 -20.835 -20.086 2.908 1.00 0.00 C ATOM 763 C PRO A 153 -20.886 -20.494 1.440 1.00 0.00 C ATOM 764 O PRO A 153 -20.584 -21.636 1.093 1.00 0.00 O ATOM 765 CB PRO A 153 -19.466 -20.415 3.508 1.00 0.00 C ATOM 766 CG PRO A 153 -19.643 -21.750 4.146 1.00 0.00 C ATOM 767 CD PRO A 153 -21.063 -21.787 4.640 1.00 0.00 C ATOM 0 HA PRO A 153 -21.074 -19.023 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 153 -18.693 -20.443 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 153 -19.163 -19.664 4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 153 -19.457 -22.552 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 153 -18.940 -21.886 4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 153 -21.480 -22.793 4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 153 -21.135 -21.465 5.679 1.00 0.00 H new ATOM 775 N ARG A 154 -21.269 -19.555 0.582 1.00 0.00 N ATOM 776 CA ARG A 154 -21.360 -19.818 -0.849 1.00 0.00 C ATOM 777 C ARG A 154 -19.999 -20.209 -1.418 1.00 0.00 C ATOM 778 O ARG A 154 -19.856 -21.254 -2.050 1.00 0.00 O ATOM 779 CB ARG A 154 -21.896 -18.587 -1.583 1.00 0.00 C ATOM 780 CG ARG A 154 -23.254 -18.123 -1.081 1.00 0.00 C ATOM 781 CD ARG A 154 -23.540 -16.688 -1.497 1.00 0.00 C ATOM 782 NE ARG A 154 -24.971 -16.440 -1.655 1.00 0.00 N ATOM 783 CZ ARG A 154 -25.520 -15.233 -1.579 1.00 0.00 C ATOM 784 NH1 ARG A 154 -24.762 -14.170 -1.348 1.00 0.00 N ATOM 785 NH2 ARG A 154 -26.830 -15.087 -1.734 1.00 0.00 N ATOM 0 H ARG A 154 -21.521 -18.605 0.853 1.00 0.00 H new ATOM 0 HA ARG A 154 -22.049 -20.650 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -21.181 -17.771 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -21.969 -18.812 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -24.032 -18.779 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -23.288 -18.202 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -23.134 -16.006 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -23.029 -16.474 -2.436 1.00 0.00 H new ATOM 0 HE ARG A 154 -25.582 -17.237 -1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -23.755 -14.278 -1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -25.186 -13.244 -1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -27.417 -15.902 -1.912 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -27.250 -14.159 -1.675 1.00 0.00 H new ATOM 799 N GLY A 155 -19.001 -19.361 -1.187 1.00 0.00 N ATOM 800 CA GLY A 155 -17.665 -19.634 -1.683 1.00 0.00 C ATOM 801 C GLY A 155 -16.768 -18.414 -1.637 1.00 0.00 C ATOM 802 O GLY A 155 -16.006 -18.159 -2.570 1.00 0.00 O ATOM 0 H GLY A 155 -19.094 -18.490 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -17.217 -20.432 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -17.729 -19.995 -2.709 1.00 0.00 H new ATOM 806 N PHE A 156 -16.858 -17.655 -0.549 1.00 0.00 N ATOM 807 CA PHE A 156 -16.050 -16.453 -0.386 1.00 0.00 C ATOM 808 C PHE A 156 -16.222 -15.867 1.012 1.00 0.00 C ATOM 809 O PHE A 156 -17.176 -16.189 1.719 1.00 0.00 O ATOM 810 CB PHE A 156 -16.432 -15.409 -1.439 1.00 0.00 C ATOM 811 CG PHE A 156 -17.898 -15.084 -1.456 1.00 0.00 C ATOM 812 CD1 PHE A 156 -18.423 -14.145 -0.583 1.00 0.00 C ATOM 813 CD2 PHE A 156 -18.752 -15.718 -2.345 1.00 0.00 C ATOM 814 CE1 PHE A 156 -19.772 -13.843 -0.596 1.00 0.00 C ATOM 815 CE2 PHE A 156 -20.101 -15.420 -2.363 1.00 0.00 C ATOM 816 CZ PHE A 156 -20.612 -14.482 -1.487 1.00 0.00 C ATOM 0 H PHE A 156 -17.483 -17.852 0.233 1.00 0.00 H new ATOM 0 HA PHE A 156 -15.004 -16.728 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -15.867 -14.495 -1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -16.137 -15.773 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -17.771 -13.643 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -18.358 -16.453 -3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -20.168 -13.109 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -20.756 -15.920 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 156 -21.666 -14.249 -1.499 1.00 0.00 H new ATOM 826 N GLY A 157 -15.290 -15.005 1.405 1.00 0.00 N ATOM 827 CA GLY A 157 -15.355 -14.388 2.717 1.00 0.00 C ATOM 828 C GLY A 157 -14.056 -13.711 3.105 1.00 0.00 C ATOM 829 O GLY A 157 -13.287 -13.286 2.242 1.00 0.00 O ATOM 0 H GLY A 157 -14.490 -14.723 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 157 -16.161 -13.655 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 157 -15.602 -15.147 3.460 1.00 0.00 H new ATOM 833 N PHE A 158 -13.810 -13.607 4.407 1.00 0.00 N ATOM 834 CA PHE A 158 -12.596 -12.974 4.908 1.00 0.00 C ATOM 835 C PHE A 158 -12.036 -13.739 6.103 1.00 0.00 C ATOM 836 O PHE A 158 -12.724 -14.566 6.701 1.00 0.00 O ATOM 837 CB PHE A 158 -12.878 -11.523 5.304 1.00 0.00 C ATOM 838 CG PHE A 158 -13.455 -10.699 4.189 1.00 0.00 C ATOM 839 CD1 PHE A 158 -14.804 -10.774 3.881 1.00 0.00 C ATOM 840 CD2 PHE A 158 -12.650 -9.849 3.448 1.00 0.00 C ATOM 841 CE1 PHE A 158 -15.338 -10.017 2.855 1.00 0.00 C ATOM 842 CE2 PHE A 158 -13.178 -9.089 2.421 1.00 0.00 C ATOM 843 CZ PHE A 158 -14.524 -9.173 2.125 1.00 0.00 C ATOM 0 H PHE A 158 -14.436 -13.953 5.134 1.00 0.00 H new ATOM 0 HA PHE A 158 -11.854 -12.988 4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -13.568 -11.513 6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -11.951 -11.061 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -15.446 -11.431 4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -11.597 -9.779 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -16.391 -10.085 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -12.539 -8.431 1.851 1.00 0.00 H new ATOM 0 HZ PHE A 158 -14.940 -8.580 1.324 1.00 0.00 H new ATOM 853 N ILE A 159 -10.783 -13.458 6.444 1.00 0.00 N ATOM 854 CA ILE A 159 -10.131 -14.119 7.567 1.00 0.00 C ATOM 855 C ILE A 159 -9.144 -13.183 8.258 1.00 0.00 C ATOM 856 O ILE A 159 -8.422 -12.431 7.604 1.00 0.00 O ATOM 857 CB ILE A 159 -9.386 -15.390 7.118 1.00 0.00 C ATOM 858 CG1 ILE A 159 -10.327 -16.309 6.336 1.00 0.00 C ATOM 859 CG2 ILE A 159 -8.806 -16.118 8.321 1.00 0.00 C ATOM 860 CD1 ILE A 159 -9.714 -17.646 5.987 1.00 0.00 C ATOM 0 H ILE A 159 -10.199 -12.777 5.958 1.00 0.00 H new ATOM 0 HA ILE A 159 -10.917 -14.397 8.268 1.00 0.00 H new ATOM 0 HB ILE A 159 -8.564 -15.099 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -11.230 -16.475 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -10.631 -15.807 5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.283 -17.014 7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -8.107 -15.462 8.841 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -9.612 -16.400 8.999 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -10.438 -18.245 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -8.827 -17.490 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -9.435 -18.168 6.902 1.00 0.00 H new ATOM 872 N THR A 160 -9.117 -13.237 9.586 1.00 0.00 N ATOM 873 CA THR A 160 -8.219 -12.395 10.367 1.00 0.00 C ATOM 874 C THR A 160 -7.047 -13.201 10.914 1.00 0.00 C ATOM 875 O THR A 160 -7.203 -14.361 11.298 1.00 0.00 O ATOM 876 CB THR A 160 -8.957 -11.723 11.541 1.00 0.00 C ATOM 877 OG1 THR A 160 -10.083 -10.984 11.053 1.00 0.00 O ATOM 878 CG2 THR A 160 -8.026 -10.794 12.304 1.00 0.00 C ATOM 0 H THR A 160 -9.707 -13.855 10.143 1.00 0.00 H new ATOM 0 HA THR A 160 -7.844 -11.624 9.694 1.00 0.00 H new ATOM 0 HB THR A 160 -9.302 -12.503 12.220 1.00 0.00 H new ATOM 0 HG1 THR A 160 -10.548 -10.561 11.805 1.00 0.00 H new ATOM 0 HG21 THR A 160 -8.569 -10.331 13.128 1.00 0.00 H new ATOM 0 HG22 THR A 160 -7.185 -11.365 12.699 1.00 0.00 H new ATOM 0 HG23 THR A 160 -7.655 -10.019 11.633 1.00 0.00 H new ATOM 886 N PHE A 161 -5.872 -12.581 10.947 1.00 0.00 N ATOM 887 CA PHE A 161 -4.673 -13.242 11.448 1.00 0.00 C ATOM 888 C PHE A 161 -4.153 -12.548 12.703 1.00 0.00 C ATOM 889 O PHE A 161 -4.568 -11.435 13.026 1.00 0.00 O ATOM 890 CB PHE A 161 -3.585 -13.254 10.371 1.00 0.00 C ATOM 891 CG PHE A 161 -3.853 -14.229 9.260 1.00 0.00 C ATOM 892 CD1 PHE A 161 -4.796 -13.946 8.285 1.00 0.00 C ATOM 893 CD2 PHE A 161 -3.161 -15.427 9.190 1.00 0.00 C ATOM 894 CE1 PHE A 161 -5.044 -14.842 7.262 1.00 0.00 C ATOM 895 CE2 PHE A 161 -3.405 -16.326 8.169 1.00 0.00 C ATOM 896 CZ PHE A 161 -4.347 -16.032 7.203 1.00 0.00 C ATOM 0 H PHE A 161 -5.725 -11.622 10.633 1.00 0.00 H new ATOM 0 HA PHE A 161 -4.934 -14.269 11.704 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.490 -12.253 9.950 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -2.629 -13.497 10.834 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -5.343 -13.016 8.325 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.422 -15.661 9.942 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -5.783 -14.611 6.509 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -2.860 -17.257 8.127 1.00 0.00 H new ATOM 0 HZ PHE A 161 -4.538 -16.732 6.403 1.00 0.00 H new ATOM 906 N GLU A 162 -3.243 -13.214 13.407 1.00 0.00 N ATOM 907 CA GLU A 162 -2.668 -12.662 14.628 1.00 0.00 C ATOM 908 C GLU A 162 -1.803 -11.443 14.320 1.00 0.00 C ATOM 909 O GLU A 162 -1.859 -10.435 15.025 1.00 0.00 O ATOM 910 CB GLU A 162 -1.834 -13.723 15.350 1.00 0.00 C ATOM 911 CG GLU A 162 -1.238 -13.239 16.661 1.00 0.00 C ATOM 912 CD GLU A 162 0.016 -14.000 17.048 1.00 0.00 C ATOM 913 OE1 GLU A 162 0.022 -15.241 16.915 1.00 0.00 O ATOM 914 OE2 GLU A 162 0.991 -13.352 17.483 1.00 0.00 O ATOM 0 H GLU A 162 -2.888 -14.136 13.153 1.00 0.00 H new ATOM 0 HA GLU A 162 -3.487 -12.350 15.276 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -2.459 -14.594 15.544 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -1.028 -14.049 14.693 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -1.004 -12.178 16.579 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -1.980 -13.342 17.453 1.00 0.00 H new ATOM 921 N ASP A 163 -1.005 -11.544 13.262 1.00 0.00 N ATOM 922 CA ASP A 163 -0.129 -10.450 12.859 1.00 0.00 C ATOM 923 C ASP A 163 -0.267 -10.165 11.367 1.00 0.00 C ATOM 924 O ASP A 163 -0.397 -11.084 10.560 1.00 0.00 O ATOM 925 CB ASP A 163 1.325 -10.783 13.195 1.00 0.00 C ATOM 926 CG ASP A 163 1.654 -10.535 14.654 1.00 0.00 C ATOM 927 OD1 ASP A 163 1.104 -11.251 15.516 1.00 0.00 O ATOM 928 OD2 ASP A 163 2.461 -9.623 14.934 1.00 0.00 O ATOM 0 H ASP A 163 -0.947 -12.372 12.669 1.00 0.00 H new ATOM 0 HA ASP A 163 -0.426 -9.557 13.410 1.00 0.00 H new ATOM 0 HB2 ASP A 163 1.520 -11.828 12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 163 1.986 -10.183 12.570 1.00 0.00 H new ATOM 933 N GLU A 164 -0.239 -8.885 11.009 1.00 0.00 N ATOM 934 CA GLU A 164 -0.363 -8.480 9.614 1.00 0.00 C ATOM 935 C GLU A 164 0.534 -9.330 8.718 1.00 0.00 C ATOM 936 O GLU A 164 0.115 -9.781 7.653 1.00 0.00 O ATOM 937 CB GLU A 164 -0.005 -7.001 9.455 1.00 0.00 C ATOM 938 CG GLU A 164 0.019 -6.532 8.010 1.00 0.00 C ATOM 939 CD GLU A 164 0.605 -5.141 7.858 1.00 0.00 C ATOM 940 OE1 GLU A 164 1.845 -5.029 7.756 1.00 0.00 O ATOM 941 OE2 GLU A 164 -0.175 -4.167 7.841 1.00 0.00 O ATOM 0 H GLU A 164 -0.132 -8.112 11.665 1.00 0.00 H new ATOM 0 HA GLU A 164 -1.399 -8.631 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -0.724 -6.400 10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 164 0.973 -6.823 9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 164 0.601 -7.235 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -0.996 -6.540 7.612 1.00 0.00 H new ATOM 948 N GLN A 165 1.769 -9.544 9.160 1.00 0.00 N ATOM 949 CA GLN A 165 2.725 -10.338 8.398 1.00 0.00 C ATOM 950 C GLN A 165 2.030 -11.500 7.696 1.00 0.00 C ATOM 951 O GLN A 165 2.129 -11.650 6.478 1.00 0.00 O ATOM 952 CB GLN A 165 3.827 -10.868 9.318 1.00 0.00 C ATOM 953 CG GLN A 165 4.943 -11.588 8.578 1.00 0.00 C ATOM 954 CD GLN A 165 6.062 -10.655 8.158 1.00 0.00 C ATOM 955 OE1 GLN A 165 6.327 -9.649 8.817 1.00 0.00 O ATOM 956 NE2 GLN A 165 6.726 -10.985 7.056 1.00 0.00 N ATOM 0 H GLN A 165 2.131 -9.179 10.041 1.00 0.00 H new ATOM 0 HA GLN A 165 3.172 -9.694 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 165 4.252 -10.036 9.879 1.00 0.00 H new ATOM 0 HB3 GLN A 165 3.385 -11.550 10.045 1.00 0.00 H new ATOM 0 HG2 GLN A 165 5.350 -12.373 9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 165 4.532 -12.077 7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 165 6.472 -11.828 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 165 7.490 -10.395 6.725 1.00 0.00 H new ATOM 965 N SER A 166 1.329 -12.320 8.472 1.00 0.00 N ATOM 966 CA SER A 166 0.620 -13.471 7.924 1.00 0.00 C ATOM 967 C SER A 166 -0.127 -13.093 6.649 1.00 0.00 C ATOM 968 O SER A 166 0.022 -13.740 5.613 1.00 0.00 O ATOM 969 CB SER A 166 -0.360 -14.031 8.956 1.00 0.00 C ATOM 970 OG SER A 166 0.288 -14.282 10.191 1.00 0.00 O ATOM 0 H SER A 166 1.237 -12.209 9.482 1.00 0.00 H new ATOM 0 HA SER A 166 1.356 -14.237 7.679 1.00 0.00 H new ATOM 0 HB2 SER A 166 -1.177 -13.325 9.107 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.802 -14.954 8.579 1.00 0.00 H new ATOM 0 HG SER A 166 -0.369 -14.592 10.848 1.00 0.00 H new ATOM 976 N VAL A 167 -0.933 -12.039 6.733 1.00 0.00 N ATOM 977 CA VAL A 167 -1.704 -11.572 5.587 1.00 0.00 C ATOM 978 C VAL A 167 -0.848 -11.540 4.326 1.00 0.00 C ATOM 979 O VAL A 167 -1.202 -12.137 3.308 1.00 0.00 O ATOM 980 CB VAL A 167 -2.285 -10.168 5.836 1.00 0.00 C ATOM 981 CG1 VAL A 167 -2.916 -9.618 4.565 1.00 0.00 C ATOM 982 CG2 VAL A 167 -3.297 -10.204 6.971 1.00 0.00 C ATOM 0 H VAL A 167 -1.069 -11.492 7.583 1.00 0.00 H new ATOM 0 HA VAL A 167 -2.524 -12.277 5.448 1.00 0.00 H new ATOM 0 HB VAL A 167 -1.471 -9.503 6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -3.321 -8.625 4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -2.160 -9.554 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -3.719 -10.280 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -3.697 -9.203 7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -4.110 -10.883 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -2.810 -10.552 7.882 1.00 0.00 H new ATOM 992 N ASP A 168 0.278 -10.840 4.399 1.00 0.00 N ATOM 993 CA ASP A 168 1.187 -10.732 3.264 1.00 0.00 C ATOM 994 C ASP A 168 1.552 -12.112 2.726 1.00 0.00 C ATOM 995 O ASP A 168 1.451 -12.367 1.526 1.00 0.00 O ATOM 996 CB ASP A 168 2.453 -9.975 3.667 1.00 0.00 C ATOM 997 CG ASP A 168 2.194 -8.502 3.915 1.00 0.00 C ATOM 998 OD1 ASP A 168 1.721 -8.161 5.018 1.00 0.00 O ATOM 999 OD2 ASP A 168 2.464 -7.691 3.004 1.00 0.00 O ATOM 0 H ASP A 168 0.584 -10.338 5.233 1.00 0.00 H new ATOM 0 HA ASP A 168 0.679 -10.178 2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 168 2.870 -10.424 4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 168 3.202 -10.082 2.882 1.00 0.00 H new ATOM 1004 N GLN A 169 1.978 -12.996 3.622 1.00 0.00 N ATOM 1005 CA GLN A 169 2.361 -14.349 3.236 1.00 0.00 C ATOM 1006 C GLN A 169 1.329 -14.959 2.293 1.00 0.00 C ATOM 1007 O GLN A 169 1.674 -15.478 1.232 1.00 0.00 O ATOM 1008 CB GLN A 169 2.519 -15.230 4.477 1.00 0.00 C ATOM 1009 CG GLN A 169 3.571 -14.726 5.451 1.00 0.00 C ATOM 1010 CD GLN A 169 4.973 -14.779 4.875 1.00 0.00 C ATOM 1011 OE1 GLN A 169 5.467 -13.796 4.323 1.00 0.00 O ATOM 1012 NE2 GLN A 169 5.622 -15.931 5.002 1.00 0.00 N ATOM 0 H GLN A 169 2.067 -12.800 4.619 1.00 0.00 H new ATOM 0 HA GLN A 169 3.316 -14.294 2.713 1.00 0.00 H new ATOM 0 HB2 GLN A 169 1.560 -15.294 4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 169 2.780 -16.241 4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 169 3.337 -13.700 5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 169 3.534 -15.324 6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 169 5.174 -16.720 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 169 6.569 -16.026 4.634 1.00 0.00 H new ATOM 1021 N ALA A 170 0.062 -14.892 2.688 1.00 0.00 N ATOM 1022 CA ALA A 170 -1.020 -15.436 1.877 1.00 0.00 C ATOM 1023 C ALA A 170 -1.236 -14.601 0.618 1.00 0.00 C ATOM 1024 O ALA A 170 -1.228 -15.126 -0.495 1.00 0.00 O ATOM 1025 CB ALA A 170 -2.304 -15.509 2.690 1.00 0.00 C ATOM 0 H ALA A 170 -0.240 -14.467 3.564 1.00 0.00 H new ATOM 0 HA ALA A 170 -0.739 -16.444 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 170 -3.103 -15.917 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 170 -2.150 -16.153 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 170 -2.579 -14.509 3.026 1.00 0.00 H new ATOM 1031 N VAL A 171 -1.430 -13.299 0.803 1.00 0.00 N ATOM 1032 CA VAL A 171 -1.648 -12.392 -0.317 1.00 0.00 C ATOM 1033 C VAL A 171 -0.670 -12.676 -1.452 1.00 0.00 C ATOM 1034 O VAL A 171 -1.074 -13.027 -2.559 1.00 0.00 O ATOM 1035 CB VAL A 171 -1.503 -10.921 0.115 1.00 0.00 C ATOM 1036 CG1 VAL A 171 -1.572 -10.000 -1.093 1.00 0.00 C ATOM 1037 CG2 VAL A 171 -2.571 -10.558 1.135 1.00 0.00 C ATOM 0 H VAL A 171 -1.441 -12.849 1.718 1.00 0.00 H new ATOM 0 HA VAL A 171 -2.666 -12.561 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 171 -0.527 -10.793 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -1.468 -8.965 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -0.766 -10.246 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -2.532 -10.128 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -2.454 -9.515 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -3.558 -10.702 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -2.468 -11.196 2.013 1.00 0.00 H new ATOM 1047 N ASN A 172 0.619 -12.521 -1.167 1.00 0.00 N ATOM 1048 CA ASN A 172 1.656 -12.760 -2.165 1.00 0.00 C ATOM 1049 C ASN A 172 1.273 -13.919 -3.080 1.00 0.00 C ATOM 1050 O ASN A 172 1.208 -13.764 -4.299 1.00 0.00 O ATOM 1051 CB ASN A 172 2.992 -13.056 -1.480 1.00 0.00 C ATOM 1052 CG ASN A 172 4.171 -12.898 -2.421 1.00 0.00 C ATOM 1053 OD1 ASN A 172 4.125 -12.108 -3.364 1.00 0.00 O ATOM 1054 ND2 ASN A 172 5.235 -13.651 -2.168 1.00 0.00 N ATOM 0 H ASN A 172 0.970 -12.231 -0.254 1.00 0.00 H new ATOM 0 HA ASN A 172 1.757 -11.860 -2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 172 3.117 -12.386 -0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 172 2.978 -14.072 -1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 172 6.058 -13.588 -2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 172 5.229 -14.292 -1.375 1.00 0.00 H new ATOM 1061 N MET A 173 1.020 -15.079 -2.483 1.00 0.00 N ATOM 1062 CA MET A 173 0.641 -16.263 -3.245 1.00 0.00 C ATOM 1063 C MET A 173 -0.620 -16.004 -4.062 1.00 0.00 C ATOM 1064 O MET A 173 -0.719 -16.417 -5.218 1.00 0.00 O ATOM 1065 CB MET A 173 0.419 -17.451 -2.306 1.00 0.00 C ATOM 1066 CG MET A 173 0.062 -18.739 -3.029 1.00 0.00 C ATOM 1067 SD MET A 173 1.487 -19.510 -3.820 1.00 0.00 S ATOM 1068 CE MET A 173 1.416 -21.155 -3.114 1.00 0.00 C ATOM 0 H MET A 173 1.071 -15.224 -1.475 1.00 0.00 H new ATOM 0 HA MET A 173 1.455 -16.498 -3.931 1.00 0.00 H new ATOM 0 HB2 MET A 173 1.323 -17.613 -1.718 1.00 0.00 H new ATOM 0 HB3 MET A 173 -0.378 -17.205 -1.604 1.00 0.00 H new ATOM 0 HG2 MET A 173 -0.378 -19.440 -2.319 1.00 0.00 H new ATOM 0 HG3 MET A 173 -0.698 -18.530 -3.782 1.00 0.00 H new ATOM 0 HE1 MET A 173 2.236 -21.755 -3.507 1.00 0.00 H new ATOM 0 HE2 MET A 173 1.502 -21.089 -2.029 1.00 0.00 H new ATOM 0 HE3 MET A 173 0.467 -21.622 -3.375 1.00 0.00 H new ATOM 1078 N HIS A 174 -1.583 -15.318 -3.455 1.00 0.00 N ATOM 1079 CA HIS A 174 -2.838 -15.003 -4.127 1.00 0.00 C ATOM 1080 C HIS A 174 -3.458 -16.257 -4.736 1.00 0.00 C ATOM 1081 O HIS A 174 -4.142 -16.192 -5.757 1.00 0.00 O ATOM 1082 CB HIS A 174 -2.610 -13.954 -5.216 1.00 0.00 C ATOM 1083 CG HIS A 174 -3.847 -13.610 -5.986 1.00 0.00 C ATOM 1084 ND1 HIS A 174 -3.825 -13.203 -7.303 1.00 0.00 N ATOM 1085 CD2 HIS A 174 -5.150 -13.618 -5.618 1.00 0.00 C ATOM 1086 CE1 HIS A 174 -5.060 -12.972 -7.711 1.00 0.00 C ATOM 1087 NE2 HIS A 174 -5.883 -13.217 -6.708 1.00 0.00 N ATOM 0 H HIS A 174 -1.518 -14.970 -2.499 1.00 0.00 H new ATOM 0 HA HIS A 174 -3.527 -14.601 -3.384 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -2.213 -13.048 -4.758 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -1.851 -14.320 -5.908 1.00 0.00 H new ATOM 0 HD1 HIS A 174 -2.986 -13.097 -7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -5.540 -13.889 -4.648 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -5.348 -12.639 -8.697 1.00 0.00 H new ATOM 1095 N PHE A 175 -3.214 -17.399 -4.101 1.00 0.00 N ATOM 1096 CA PHE A 175 -3.746 -18.669 -4.581 1.00 0.00 C ATOM 1097 C PHE A 175 -3.457 -19.791 -3.587 1.00 0.00 C ATOM 1098 O PHE A 175 -2.462 -19.752 -2.862 1.00 0.00 O ATOM 1099 CB PHE A 175 -3.147 -19.015 -5.946 1.00 0.00 C ATOM 1100 CG PHE A 175 -3.889 -18.404 -7.099 1.00 0.00 C ATOM 1101 CD1 PHE A 175 -5.272 -18.465 -7.160 1.00 0.00 C ATOM 1102 CD2 PHE A 175 -3.205 -17.767 -8.122 1.00 0.00 C ATOM 1103 CE1 PHE A 175 -5.958 -17.904 -8.221 1.00 0.00 C ATOM 1104 CE2 PHE A 175 -3.885 -17.203 -9.185 1.00 0.00 C ATOM 1105 CZ PHE A 175 -5.264 -17.271 -9.234 1.00 0.00 C ATOM 0 H PHE A 175 -2.651 -17.471 -3.253 1.00 0.00 H new ATOM 0 HA PHE A 175 -4.826 -18.566 -4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 175 -2.110 -18.681 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 175 -3.136 -20.098 -6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 175 -5.820 -18.956 -6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 175 -2.127 -17.711 -8.088 1.00 0.00 H new ATOM 0 HE1 PHE A 175 -7.036 -17.961 -8.258 1.00 0.00 H new ATOM 0 HE2 PHE A 175 -3.339 -16.710 -9.976 1.00 0.00 H new ATOM 0 HZ PHE A 175 -5.798 -16.830 -10.063 1.00 0.00 H new ATOM 1115 N HIS A 176 -4.334 -20.789 -3.559 1.00 0.00 N ATOM 1116 CA HIS A 176 -4.174 -21.922 -2.654 1.00 0.00 C ATOM 1117 C HIS A 176 -5.022 -23.105 -3.110 1.00 0.00 C ATOM 1118 O HIS A 176 -6.008 -22.935 -3.827 1.00 0.00 O ATOM 1119 CB HIS A 176 -4.559 -21.522 -1.230 1.00 0.00 C ATOM 1120 CG HIS A 176 -3.805 -20.335 -0.716 1.00 0.00 C ATOM 1121 ND1 HIS A 176 -4.161 -19.033 -0.620 1.00 0.00 N flip ATOM 1122 CD2 HIS A 176 -2.519 -20.416 -0.224 1.00 0.00 C flip ATOM 1123 CE1 HIS A 176 -3.096 -18.358 -0.077 1.00 0.00 C flip ATOM 1124 NE2 HIS A 176 -2.118 -19.215 0.153 1.00 0.00 N flip ATOM 0 H HIS A 176 -5.162 -20.837 -4.152 1.00 0.00 H new ATOM 0 HA HIS A 176 -3.126 -22.222 -2.668 1.00 0.00 H new ATOM 0 HB2 HIS A 176 -5.627 -21.305 -1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 176 -4.386 -22.368 -0.565 1.00 0.00 H new ATOM 0 HD2 HIS A 176 -1.932 -21.320 -0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 176 -3.063 -17.298 0.129 1.00 0.00 H new ATOM 0 HE2 HIS A 176 -1.208 -18.988 0.554 1.00 0.00 H new ATOM 1132 N ASP A 177 -4.631 -24.304 -2.690 1.00 0.00 N ATOM 1133 CA ASP A 177 -5.356 -25.515 -3.055 1.00 0.00 C ATOM 1134 C ASP A 177 -6.056 -26.117 -1.840 1.00 0.00 C ATOM 1135 O ASP A 177 -5.423 -26.762 -1.004 1.00 0.00 O ATOM 1136 CB ASP A 177 -4.401 -26.541 -3.669 1.00 0.00 C ATOM 1137 CG ASP A 177 -3.869 -26.101 -5.019 1.00 0.00 C ATOM 1138 OD1 ASP A 177 -2.997 -25.209 -5.050 1.00 0.00 O ATOM 1139 OD2 ASP A 177 -4.326 -26.649 -6.044 1.00 0.00 O ATOM 0 H ASP A 177 -3.816 -24.463 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 177 -6.113 -25.247 -3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -3.565 -26.708 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -4.918 -27.494 -3.779 1.00 0.00 H new ATOM 1144 N ILE A 178 -7.363 -25.900 -1.750 1.00 0.00 N ATOM 1145 CA ILE A 178 -8.148 -26.421 -0.638 1.00 0.00 C ATOM 1146 C ILE A 178 -9.376 -27.175 -1.137 1.00 0.00 C ATOM 1147 O ILE A 178 -10.083 -26.708 -2.030 1.00 0.00 O ATOM 1148 CB ILE A 178 -8.602 -25.293 0.308 1.00 0.00 C ATOM 1149 CG1 ILE A 178 -7.402 -24.447 0.739 1.00 0.00 C ATOM 1150 CG2 ILE A 178 -9.311 -25.873 1.522 1.00 0.00 C ATOM 1151 CD1 ILE A 178 -7.787 -23.099 1.308 1.00 0.00 C ATOM 0 H ILE A 178 -7.901 -25.367 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 178 -7.502 -27.106 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 178 -9.303 -24.651 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 178 -6.829 -24.997 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 178 -6.747 -24.297 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 178 -9.626 -25.064 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 178 -10.185 -26.437 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 178 -8.631 -26.534 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 178 -6.887 -22.554 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 178 -8.334 -22.530 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 178 -8.418 -23.241 2.186 1.00 0.00 H new ATOM 1163 N MET A 179 -9.625 -28.343 -0.553 1.00 0.00 N ATOM 1164 CA MET A 179 -10.770 -29.160 -0.937 1.00 0.00 C ATOM 1165 C MET A 179 -10.760 -29.440 -2.436 1.00 0.00 C ATOM 1166 O MET A 179 -11.812 -29.593 -3.056 1.00 0.00 O ATOM 1167 CB MET A 179 -12.075 -28.464 -0.545 1.00 0.00 C ATOM 1168 CG MET A 179 -12.497 -28.728 0.892 1.00 0.00 C ATOM 1169 SD MET A 179 -12.663 -30.487 1.254 1.00 0.00 S ATOM 1170 CE MET A 179 -13.292 -30.429 2.930 1.00 0.00 C ATOM 0 H MET A 179 -9.049 -28.744 0.187 1.00 0.00 H new ATOM 0 HA MET A 179 -10.700 -30.110 -0.407 1.00 0.00 H new ATOM 0 HB2 MET A 179 -11.962 -27.390 -0.690 1.00 0.00 H new ATOM 0 HB3 MET A 179 -12.869 -28.795 -1.215 1.00 0.00 H new ATOM 0 HG2 MET A 179 -11.764 -28.289 1.569 1.00 0.00 H new ATOM 0 HG3 MET A 179 -13.447 -28.230 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 179 -12.592 -30.929 3.599 1.00 0.00 H new ATOM 0 HE2 MET A 179 -13.410 -29.390 3.239 1.00 0.00 H new ATOM 0 HE3 MET A 179 -14.258 -30.932 2.974 1.00 0.00 H new ATOM 1180 N GLY A 180 -9.564 -29.506 -3.014 1.00 0.00 N ATOM 1181 CA GLY A 180 -9.441 -29.767 -4.436 1.00 0.00 C ATOM 1182 C GLY A 180 -9.945 -28.615 -5.283 1.00 0.00 C ATOM 1183 O GLY A 180 -10.680 -28.820 -6.249 1.00 0.00 O ATOM 0 H GLY A 180 -8.679 -29.383 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 180 -8.396 -29.961 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 180 -9.999 -30.669 -4.686 1.00 0.00 H new ATOM 1187 N LYS A 181 -9.551 -27.399 -4.919 1.00 0.00 N ATOM 1188 CA LYS A 181 -9.968 -26.209 -5.652 1.00 0.00 C ATOM 1189 C LYS A 181 -9.032 -25.039 -5.365 1.00 0.00 C ATOM 1190 O LYS A 181 -8.292 -25.048 -4.382 1.00 0.00 O ATOM 1191 CB LYS A 181 -11.403 -25.831 -5.278 1.00 0.00 C ATOM 1192 CG LYS A 181 -12.136 -25.072 -6.370 1.00 0.00 C ATOM 1193 CD LYS A 181 -13.481 -24.558 -5.886 1.00 0.00 C ATOM 1194 CE LYS A 181 -14.575 -25.599 -6.069 1.00 0.00 C ATOM 1195 NZ LYS A 181 -15.934 -24.999 -5.972 1.00 0.00 N ATOM 0 H LYS A 181 -8.944 -27.212 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 181 -9.924 -26.435 -6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 181 -11.959 -26.738 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 181 -11.386 -25.223 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 181 -11.525 -24.234 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 181 -12.283 -25.724 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 181 -13.410 -24.285 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 181 -13.744 -23.653 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 181 -14.459 -26.080 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 181 -14.467 -26.376 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 181 -16.455 -25.443 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 181 -15.851 -23.977 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 181 -16.447 -25.157 -6.863 1.00 0.00 H new ATOM 1209 N LYS A 182 -9.070 -24.031 -6.230 1.00 0.00 N ATOM 1210 CA LYS A 182 -8.228 -22.852 -6.070 1.00 0.00 C ATOM 1211 C LYS A 182 -8.922 -21.801 -5.209 1.00 0.00 C ATOM 1212 O LYS A 182 -10.046 -21.390 -5.499 1.00 0.00 O ATOM 1213 CB LYS A 182 -7.881 -22.258 -7.437 1.00 0.00 C ATOM 1214 CG LYS A 182 -6.615 -21.418 -7.431 1.00 0.00 C ATOM 1215 CD LYS A 182 -5.369 -22.288 -7.397 1.00 0.00 C ATOM 1216 CE LYS A 182 -4.935 -22.694 -8.797 1.00 0.00 C ATOM 1217 NZ LYS A 182 -4.086 -21.652 -9.438 1.00 0.00 N ATOM 0 H LYS A 182 -9.676 -24.007 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 182 -7.309 -23.158 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -7.766 -23.068 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -8.714 -21.643 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -6.593 -20.784 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -6.621 -20.755 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -4.560 -21.747 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -5.563 -23.180 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -4.383 -23.633 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 182 -5.816 -22.874 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 -3.811 -21.966 -10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -4.621 -20.763 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -3.232 -21.498 -8.864 1.00 0.00 H new ATOM 1231 N VAL A 183 -8.245 -21.368 -4.150 1.00 0.00 N ATOM 1232 CA VAL A 183 -8.795 -20.363 -3.249 1.00 0.00 C ATOM 1233 C VAL A 183 -8.047 -19.041 -3.377 1.00 0.00 C ATOM 1234 O VAL A 183 -6.862 -18.954 -3.057 1.00 0.00 O ATOM 1235 CB VAL A 183 -8.738 -20.832 -1.783 1.00 0.00 C ATOM 1236 CG1 VAL A 183 -9.721 -20.044 -0.931 1.00 0.00 C ATOM 1237 CG2 VAL A 183 -9.018 -22.325 -1.690 1.00 0.00 C ATOM 0 H VAL A 183 -7.314 -21.698 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 183 -9.836 -20.217 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 183 -7.734 -20.649 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -9.666 -20.390 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -9.470 -18.984 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -10.732 -20.193 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 183 -8.974 -22.639 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 183 -10.010 -22.535 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 183 -8.271 -22.872 -2.266 1.00 0.00 H new ATOM 1247 N GLU A 184 -8.748 -18.014 -3.847 1.00 0.00 N ATOM 1248 CA GLU A 184 -8.149 -16.695 -4.018 1.00 0.00 C ATOM 1249 C GLU A 184 -8.027 -15.975 -2.678 1.00 0.00 C ATOM 1250 O GLU A 184 -8.849 -16.165 -1.782 1.00 0.00 O ATOM 1251 CB GLU A 184 -8.981 -15.854 -4.988 1.00 0.00 C ATOM 1252 CG GLU A 184 -8.168 -14.822 -5.751 1.00 0.00 C ATOM 1253 CD GLU A 184 -9.037 -13.805 -6.464 1.00 0.00 C ATOM 1254 OE1 GLU A 184 -9.682 -12.987 -5.775 1.00 0.00 O ATOM 1255 OE2 GLU A 184 -9.073 -13.827 -7.712 1.00 0.00 O ATOM 0 H GLU A 184 -9.730 -18.070 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 184 -7.149 -16.829 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -9.472 -16.516 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -9.768 -15.345 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -7.503 -14.305 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -7.536 -15.329 -6.480 1.00 0.00 H new ATOM 1262 N VAL A 185 -6.996 -15.147 -2.549 1.00 0.00 N ATOM 1263 CA VAL A 185 -6.766 -14.398 -1.320 1.00 0.00 C ATOM 1264 C VAL A 185 -6.143 -13.037 -1.614 1.00 0.00 C ATOM 1265 O VAL A 185 -5.189 -12.932 -2.385 1.00 0.00 O ATOM 1266 CB VAL A 185 -5.849 -15.171 -0.354 1.00 0.00 C ATOM 1267 CG1 VAL A 185 -5.364 -14.262 0.765 1.00 0.00 C ATOM 1268 CG2 VAL A 185 -6.573 -16.385 0.210 1.00 0.00 C ATOM 0 H VAL A 185 -6.306 -14.978 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 185 -7.739 -14.256 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 185 -4.978 -15.520 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -4.717 -14.826 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -4.806 -13.428 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -6.220 -13.880 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -5.911 -16.920 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -7.462 -16.060 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -6.865 -17.046 -0.606 1.00 0.00 H new ATOM 1278 N LYS A 186 -6.689 -11.997 -0.994 1.00 0.00 N ATOM 1279 CA LYS A 186 -6.187 -10.641 -1.187 1.00 0.00 C ATOM 1280 C LYS A 186 -6.173 -9.874 0.131 1.00 0.00 C ATOM 1281 O LYS A 186 -6.724 -10.331 1.132 1.00 0.00 O ATOM 1282 CB LYS A 186 -7.046 -9.898 -2.213 1.00 0.00 C ATOM 1283 CG LYS A 186 -7.317 -10.701 -3.474 1.00 0.00 C ATOM 1284 CD LYS A 186 -8.025 -9.863 -4.526 1.00 0.00 C ATOM 1285 CE LYS A 186 -7.670 -10.320 -5.933 1.00 0.00 C ATOM 1286 NZ LYS A 186 -6.309 -9.868 -6.335 1.00 0.00 N ATOM 0 H LYS A 186 -7.480 -12.067 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 186 -5.165 -10.708 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -7.996 -9.629 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -6.549 -8.967 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -6.376 -11.075 -3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -7.927 -11.571 -3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -9.103 -9.930 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -7.752 -8.815 -4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -7.722 -11.407 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -8.405 -9.931 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -6.162 -10.064 -7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -6.218 -8.846 -6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -5.595 -10.377 -5.776 1.00 0.00 H new ATOM 1300 N ARG A 187 -5.542 -8.704 0.123 1.00 0.00 N ATOM 1301 CA ARG A 187 -5.457 -7.874 1.318 1.00 0.00 C ATOM 1302 C ARG A 187 -6.765 -7.123 1.553 1.00 0.00 C ATOM 1303 O ARG A 187 -7.177 -6.303 0.733 1.00 0.00 O ATOM 1304 CB ARG A 187 -4.301 -6.879 1.193 1.00 0.00 C ATOM 1305 CG ARG A 187 -2.980 -7.410 1.724 1.00 0.00 C ATOM 1306 CD ARG A 187 -1.985 -6.286 1.968 1.00 0.00 C ATOM 1307 NE ARG A 187 -2.470 -5.333 2.962 1.00 0.00 N ATOM 1308 CZ ARG A 187 -1.674 -4.524 3.654 1.00 0.00 C ATOM 1309 NH1 ARG A 187 -0.363 -4.554 3.459 1.00 0.00 N ATOM 1310 NH2 ARG A 187 -2.190 -3.684 4.541 1.00 0.00 N ATOM 0 H ARG A 187 -5.082 -8.310 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 187 -5.275 -8.527 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 187 -4.178 -6.607 0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 187 -4.559 -5.967 1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 187 -3.152 -7.953 2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 187 -2.560 -8.121 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 187 -1.037 -6.707 2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 187 -1.790 -5.765 1.031 1.00 0.00 H new ATOM 0 HE ARG A 187 -3.474 -5.285 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 187 0.037 -5.199 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 187 0.246 -3.932 3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 187 -3.198 -3.658 4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 187 -1.579 -3.064 5.072 1.00 0.00 H new ATOM 1324 N ALA A 188 -7.413 -7.412 2.677 1.00 0.00 N ATOM 1325 CA ALA A 188 -8.673 -6.764 3.020 1.00 0.00 C ATOM 1326 C ALA A 188 -8.432 -5.441 3.739 1.00 0.00 C ATOM 1327 O ALA A 188 -9.333 -4.899 4.378 1.00 0.00 O ATOM 1328 CB ALA A 188 -9.524 -7.687 3.879 1.00 0.00 C ATOM 0 H ALA A 188 -7.086 -8.090 3.365 1.00 0.00 H new ATOM 0 HA ALA A 188 -9.208 -6.552 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -10.462 -7.190 4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -9.734 -8.605 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -8.987 -7.928 4.796 1.00 0.00 H new