USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 804 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 35 MET CE :methyl 147:sc= -5.03! (180deg=-5.66!) USER MOD Set 1.2: A 128 GLN : amide:sc= -0.138 K(o=-5.2,f=-7.2!) USER MOD Single : A 9 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.1!) USER MOD Single : A 17 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.42) USER MOD Single : A 19 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.7!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -43:sc= 0.788 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.177 USER MOD Single : A 38 ASN : amide:sc= -0.269 K(o=-0.27,f=-5.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 170:sc= -0.046 USER MOD Single : A 48 CYS SG : rot 25:sc= 0.675 USER MOD Single : A 53 TYR OH : rot -142:sc= 0.745 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -167:sc=-0.000401 (180deg=-0.189) USER MOD Single : A 61 ASN : amide:sc= -0.0807 K(o=-0.081,f=-1.4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.312 X(o=-0.31,f=0.0036) USER MOD Single : A 106 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.7!) USER MOD Single : A 109 ASN : amide:sc= 1.01 K(o=1,f=-0.73) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-3.8!) USER MOD Single : A 118 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.96) USER MOD Single : A 119 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.5!) USER MOD Single : A 122 CYS SG : rot 160:sc= -1.39 USER MOD Single : A 124 HIS :FLIP no HE2:sc= -0.668 F(o=-1.2,f=-0.67) USER MOD Single : A 125 MET CE :methyl -136:sc= -0.175 (180deg=-0.335) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -21.496 -11.988 -11.630 1.00 0.00 N ATOM 78 CA ASN A 9 -21.197 -11.177 -10.462 1.00 0.00 C ATOM 79 C ASN A 9 -19.852 -10.476 -10.664 1.00 0.00 C ATOM 80 O ASN A 9 -19.012 -10.946 -11.430 1.00 0.00 O ATOM 81 CB ASN A 9 -21.096 -12.040 -9.203 1.00 0.00 C ATOM 82 CG ASN A 9 -20.302 -13.319 -9.477 1.00 0.00 C ATOM 83 OD1 ASN A 9 -19.452 -13.378 -10.351 1.00 0.00 O ATOM 84 ND2 ASN A 9 -20.624 -14.337 -8.684 1.00 0.00 N ATOM 0 HA ASN A 9 -22.003 -10.453 -10.339 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.615 -11.473 -8.407 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.096 -12.296 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.150 -15.234 -8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.345 -14.221 -7.972 1.00 0.00 H new ATOM 91 N PHE A 10 -19.689 -9.364 -9.962 1.00 0.00 N ATOM 92 CA PHE A 10 -18.460 -8.594 -10.055 1.00 0.00 C ATOM 93 C PHE A 10 -18.179 -7.851 -8.747 1.00 0.00 C ATOM 94 O PHE A 10 -19.004 -7.065 -8.286 1.00 0.00 O ATOM 95 CB PHE A 10 -18.656 -7.572 -11.176 1.00 0.00 C ATOM 96 CG PHE A 10 -19.372 -6.294 -10.735 1.00 0.00 C ATOM 97 CD1 PHE A 10 -18.669 -5.288 -10.149 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.712 -6.163 -10.928 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.333 -4.102 -9.740 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.377 -4.977 -10.519 1.00 0.00 C ATOM 101 CZ PHE A 10 -20.673 -3.971 -9.933 1.00 0.00 C ATOM 0 H PHE A 10 -20.387 -8.978 -9.327 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.619 -9.258 -10.253 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.682 -7.307 -11.587 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.226 -8.036 -11.981 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.605 -5.392 -9.995 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.271 -6.962 -11.393 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -18.774 -3.303 -9.275 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.441 -4.874 -10.673 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.178 -3.069 -9.621 1.00 0.00 H new ATOM 111 N LEU A 11 -17.010 -8.127 -8.187 1.00 0.00 N ATOM 112 CA LEU A 11 -16.610 -7.495 -6.942 1.00 0.00 C ATOM 113 C LEU A 11 -15.291 -6.748 -7.155 1.00 0.00 C ATOM 114 O LEU A 11 -14.233 -7.367 -7.255 1.00 0.00 O ATOM 115 CB LEU A 11 -16.558 -8.524 -5.811 1.00 0.00 C ATOM 116 CG LEU A 11 -15.842 -8.081 -4.533 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.808 -7.373 -3.581 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.138 -9.262 -3.861 1.00 0.00 C ATOM 0 H LEU A 11 -16.328 -8.780 -8.573 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.350 -6.756 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.580 -8.803 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.067 -9.422 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.072 -7.360 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.274 -7.069 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.223 -6.493 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.616 -8.053 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.637 -8.920 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.873 -10.025 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.402 -9.684 -4.545 1.00 0.00 H new ATOM 130 N GLU A 12 -15.399 -5.429 -7.218 1.00 0.00 N ATOM 131 CA GLU A 12 -14.228 -4.592 -7.417 1.00 0.00 C ATOM 132 C GLU A 12 -14.246 -3.413 -6.441 1.00 0.00 C ATOM 133 O GLU A 12 -15.293 -3.074 -5.891 1.00 0.00 O ATOM 134 CB GLU A 12 -14.143 -4.103 -8.865 1.00 0.00 C ATOM 135 CG GLU A 12 -13.988 -5.279 -9.832 1.00 0.00 C ATOM 136 CD GLU A 12 -12.665 -5.190 -10.595 1.00 0.00 C ATOM 137 OE1 GLU A 12 -12.558 -4.276 -11.440 1.00 0.00 O ATOM 138 OE2 GLU A 12 -11.790 -6.038 -10.315 1.00 0.00 O ATOM 0 H GLU A 12 -16.279 -4.920 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.339 -5.191 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.041 -3.538 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.298 -3.424 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.031 -6.217 -9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.819 -5.287 -10.537 1.00 0.00 H new ATOM 145 N ILE A 13 -13.075 -2.822 -6.256 1.00 0.00 N ATOM 146 CA ILE A 13 -12.943 -1.689 -5.356 1.00 0.00 C ATOM 147 C ILE A 13 -12.135 -0.587 -6.045 1.00 0.00 C ATOM 148 O ILE A 13 -11.266 -0.872 -6.868 1.00 0.00 O ATOM 149 CB ILE A 13 -12.356 -2.135 -4.016 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.320 -3.065 -3.277 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.956 -0.929 -3.163 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.678 -4.429 -3.020 1.00 0.00 C ATOM 0 H ILE A 13 -12.209 -3.106 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.922 -1.270 -5.125 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.448 -2.704 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.613 -2.613 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.230 -3.192 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.542 -1.275 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.207 -0.340 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.834 -0.312 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.385 -5.070 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.409 -4.889 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.782 -4.301 -2.412 1.00 0.00 H new ATOM 164 N ASP A 14 -12.450 0.648 -5.684 1.00 0.00 N ATOM 165 CA ASP A 14 -11.765 1.794 -6.257 1.00 0.00 C ATOM 166 C ASP A 14 -11.055 2.567 -5.144 1.00 0.00 C ATOM 167 O ASP A 14 -11.590 2.713 -4.046 1.00 0.00 O ATOM 168 CB ASP A 14 -12.753 2.744 -6.936 1.00 0.00 C ATOM 169 CG ASP A 14 -13.503 2.151 -8.130 1.00 0.00 C ATOM 170 OD1 ASP A 14 -12.834 1.479 -8.944 1.00 0.00 O ATOM 171 OD2 ASP A 14 -14.730 2.383 -8.202 1.00 0.00 O ATOM 0 H ASP A 14 -13.171 0.880 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.053 1.426 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.482 3.075 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.212 3.630 -7.269 1.00 0.00 H new ATOM 176 N ILE A 15 -9.860 3.041 -5.466 1.00 0.00 N ATOM 177 CA ILE A 15 -9.071 3.796 -4.507 1.00 0.00 C ATOM 178 C ILE A 15 -8.473 5.022 -5.198 1.00 0.00 C ATOM 179 O ILE A 15 -7.506 4.906 -5.949 1.00 0.00 O ATOM 180 CB ILE A 15 -8.028 2.894 -3.844 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.665 1.595 -3.345 1.00 0.00 C ATOM 182 CG2 ILE A 15 -7.291 3.637 -2.727 1.00 0.00 C ATOM 183 CD1 ILE A 15 -7.911 1.045 -2.132 1.00 0.00 C ATOM 0 H ILE A 15 -9.419 2.917 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.703 4.162 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.285 2.622 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.707 1.775 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.664 0.855 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.555 2.973 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.786 4.509 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.006 3.958 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.384 0.122 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.876 0.843 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.935 1.778 -1.326 1.00 0.00 H new ATOM 195 N PHE A 16 -9.073 6.170 -4.920 1.00 0.00 N ATOM 196 CA PHE A 16 -8.611 7.417 -5.506 1.00 0.00 C ATOM 197 C PHE A 16 -8.927 8.603 -4.591 1.00 0.00 C ATOM 198 O PHE A 16 -9.445 8.421 -3.490 1.00 0.00 O ATOM 199 CB PHE A 16 -9.360 7.595 -6.828 1.00 0.00 C ATOM 200 CG PHE A 16 -10.882 7.526 -6.695 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.512 6.320 -6.701 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.607 8.670 -6.569 1.00 0.00 C ATOM 203 CE1 PHE A 16 -12.925 6.256 -6.577 1.00 0.00 C ATOM 204 CE2 PHE A 16 -13.020 8.606 -6.446 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.649 7.400 -6.452 1.00 0.00 C ATOM 0 H PHE A 16 -9.875 6.263 -4.297 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.531 7.382 -5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.087 8.557 -7.262 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.031 6.825 -7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.937 5.411 -6.800 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.108 9.628 -6.563 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.425 5.299 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.595 9.515 -6.348 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.724 7.351 -6.357 1.00 0.00 H new ATOM 215 N ASN A 17 -8.601 9.790 -5.081 1.00 0.00 N ATOM 216 CA ASN A 17 -8.843 11.005 -4.321 1.00 0.00 C ATOM 217 C ASN A 17 -7.909 11.039 -3.110 1.00 0.00 C ATOM 218 O ASN A 17 -8.365 10.984 -1.969 1.00 0.00 O ATOM 219 CB ASN A 17 -10.284 11.056 -3.809 1.00 0.00 C ATOM 220 CG ASN A 17 -10.843 12.478 -3.885 1.00 0.00 C ATOM 221 OD1 ASN A 17 -10.671 13.189 -4.861 1.00 0.00 O ATOM 222 ND2 ASN A 17 -11.520 12.852 -2.803 1.00 0.00 N ATOM 0 H ASN A 17 -8.172 9.936 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.664 11.856 -4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.907 10.384 -4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.320 10.702 -2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.932 13.784 -2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.627 12.207 -2.020 1.00 0.00 H new ATOM 229 N PRO A 18 -6.585 11.130 -3.407 1.00 0.00 N ATOM 230 CA PRO A 18 -5.583 11.172 -2.356 1.00 0.00 C ATOM 231 C PRO A 18 -5.560 12.542 -1.674 1.00 0.00 C ATOM 232 O PRO A 18 -5.171 13.536 -2.284 1.00 0.00 O ATOM 233 CB PRO A 18 -4.273 10.831 -3.047 1.00 0.00 C ATOM 234 CG PRO A 18 -4.511 11.067 -4.530 1.00 0.00 C ATOM 235 CD PRO A 18 -6.009 11.197 -4.747 1.00 0.00 C ATOM 0 HA PRO A 18 -5.789 10.467 -1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.461 11.458 -2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.989 9.796 -2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.998 11.970 -4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.111 10.240 -5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.258 12.138 -5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.388 10.396 -5.382 1.00 0.00 H new ATOM 243 N GLN A 19 -5.983 12.549 -0.419 1.00 0.00 N ATOM 244 CA GLN A 19 -6.016 13.780 0.352 1.00 0.00 C ATOM 245 C GLN A 19 -4.987 13.726 1.484 1.00 0.00 C ATOM 246 O GLN A 19 -4.990 12.793 2.286 1.00 0.00 O ATOM 247 CB GLN A 19 -7.420 14.047 0.900 1.00 0.00 C ATOM 248 CG GLN A 19 -8.079 15.220 0.172 1.00 0.00 C ATOM 249 CD GLN A 19 -7.926 16.516 0.971 1.00 0.00 C ATOM 250 OE1 GLN A 19 -7.606 16.516 2.148 1.00 0.00 O ATOM 251 NE2 GLN A 19 -8.173 17.618 0.268 1.00 0.00 N ATOM 0 H GLN A 19 -6.306 11.722 0.083 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.757 14.606 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.034 13.153 0.788 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.363 14.262 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.629 15.341 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.137 15.008 0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.437 17.548 -0.715 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.099 18.533 0.712 1.00 0.00 H new ATOM 260 N THR A 20 -4.132 14.738 1.512 1.00 0.00 N ATOM 261 CA THR A 20 -3.100 14.817 2.532 1.00 0.00 C ATOM 262 C THR A 20 -3.388 15.971 3.494 1.00 0.00 C ATOM 263 O THR A 20 -3.583 17.107 3.065 1.00 0.00 O ATOM 264 CB THR A 20 -1.747 14.936 1.827 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.496 13.624 1.332 1.00 0.00 O ATOM 266 CG2 THR A 20 -0.598 15.192 2.804 1.00 0.00 C ATOM 0 H THR A 20 -4.133 15.510 0.845 1.00 0.00 H new ATOM 0 HA THR A 20 -3.083 13.918 3.149 1.00 0.00 H new ATOM 0 HB THR A 20 -1.789 15.744 1.096 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.638 13.612 0.859 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.339 15.268 2.252 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.779 16.122 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.534 14.368 3.515 1.00 0.00 H new ATOM 412 N THR A 30 -4.829 9.741 3.003 1.00 0.00 N ATOM 413 CA THR A 30 -5.887 8.753 2.878 1.00 0.00 C ATOM 414 C THR A 30 -6.464 8.766 1.461 1.00 0.00 C ATOM 415 O THR A 30 -6.197 9.684 0.687 1.00 0.00 O ATOM 416 CB THR A 30 -6.930 9.037 3.961 1.00 0.00 C ATOM 417 OG1 THR A 30 -6.950 10.458 4.060 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.477 8.573 5.346 1.00 0.00 C ATOM 0 HA THR A 30 -5.505 7.744 3.031 1.00 0.00 H new ATOM 0 HB THR A 30 -7.866 8.543 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.032 10.800 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.253 8.798 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.296 7.498 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.558 9.091 5.621 1.00 0.00 H new ATOM 426 N TYR A 31 -7.243 7.737 1.164 1.00 0.00 N ATOM 427 CA TYR A 31 -7.860 7.618 -0.147 1.00 0.00 C ATOM 428 C TYR A 31 -9.337 7.238 -0.026 1.00 0.00 C ATOM 429 O TYR A 31 -9.776 6.765 1.022 1.00 0.00 O ATOM 430 CB TYR A 31 -7.113 6.492 -0.864 1.00 0.00 C ATOM 431 CG TYR A 31 -5.593 6.549 -0.699 1.00 0.00 C ATOM 432 CD1 TYR A 31 -5.018 6.229 0.514 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.797 6.921 -1.763 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.588 6.283 0.670 1.00 0.00 C ATOM 435 CE2 TYR A 31 -3.366 6.975 -1.608 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.832 6.653 -0.399 1.00 0.00 C ATOM 437 OH TYR A 31 -1.481 6.704 -0.253 1.00 0.00 O ATOM 0 H TYR A 31 -7.462 6.977 1.809 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.805 8.565 -0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.473 5.534 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.354 6.529 -1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.641 5.938 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.247 7.172 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.126 6.035 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.732 7.264 -2.433 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.071 6.982 -1.098 1.00 0.00 H new ATOM 447 N GLU A 32 -10.063 7.460 -1.112 1.00 0.00 N ATOM 448 CA GLU A 32 -11.482 7.147 -1.140 1.00 0.00 C ATOM 449 C GLU A 32 -11.693 5.671 -1.484 1.00 0.00 C ATOM 450 O GLU A 32 -11.618 5.285 -2.650 1.00 0.00 O ATOM 451 CB GLU A 32 -12.223 8.051 -2.127 1.00 0.00 C ATOM 452 CG GLU A 32 -12.660 9.354 -1.454 1.00 0.00 C ATOM 453 CD GLU A 32 -14.177 9.535 -1.544 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.721 9.230 -2.627 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.758 9.975 -0.528 1.00 0.00 O ATOM 0 H GLU A 32 -9.695 7.853 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.895 7.332 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.577 8.275 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.096 7.529 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.352 9.349 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.160 10.198 -1.929 1.00 0.00 H new ATOM 462 N VAL A 33 -11.952 4.886 -0.449 1.00 0.00 N ATOM 463 CA VAL A 33 -12.175 3.461 -0.627 1.00 0.00 C ATOM 464 C VAL A 33 -13.631 3.224 -1.033 1.00 0.00 C ATOM 465 O VAL A 33 -14.506 3.105 -0.177 1.00 0.00 O ATOM 466 CB VAL A 33 -11.778 2.707 0.643 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.940 1.197 0.457 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.349 3.057 1.065 1.00 0.00 C ATOM 0 H VAL A 33 -12.012 5.210 0.516 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.547 3.073 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.450 3.020 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.651 0.684 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.980 0.968 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.304 0.861 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.092 2.507 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.657 2.786 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.278 4.127 1.258 1.00 0.00 H new ATOM 478 N ARG A 34 -13.845 3.161 -2.339 1.00 0.00 N ATOM 479 CA ARG A 34 -15.179 2.939 -2.869 1.00 0.00 C ATOM 480 C ARG A 34 -15.285 1.537 -3.472 1.00 0.00 C ATOM 481 O ARG A 34 -14.628 1.234 -4.466 1.00 0.00 O ATOM 482 CB ARG A 34 -15.526 3.975 -3.941 1.00 0.00 C ATOM 483 CG ARG A 34 -17.015 4.322 -3.907 1.00 0.00 C ATOM 484 CD ARG A 34 -17.258 5.746 -4.411 1.00 0.00 C ATOM 485 NE ARG A 34 -18.140 5.718 -5.600 1.00 0.00 N ATOM 486 CZ ARG A 34 -17.730 5.390 -6.832 1.00 0.00 C ATOM 487 NH1 ARG A 34 -16.450 5.058 -7.046 1.00 0.00 N ATOM 488 NH2 ARG A 34 -18.601 5.392 -7.851 1.00 0.00 N ATOM 0 H ARG A 34 -13.116 3.260 -3.046 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.884 3.037 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.935 4.877 -3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.262 3.588 -4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.571 3.615 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.392 4.223 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.714 6.347 -3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.309 6.218 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.122 5.964 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.787 5.055 -6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.138 4.808 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.576 5.643 -7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -18.289 5.142 -8.789 1.00 0.00 H new ATOM 502 N MET A 35 -16.118 0.720 -2.845 1.00 0.00 N ATOM 503 CA MET A 35 -16.319 -0.643 -3.307 1.00 0.00 C ATOM 504 C MET A 35 -17.680 -0.797 -3.988 1.00 0.00 C ATOM 505 O MET A 35 -18.614 -0.053 -3.692 1.00 0.00 O ATOM 506 CB MET A 35 -16.231 -1.604 -2.119 1.00 0.00 C ATOM 507 CG MET A 35 -16.610 -3.026 -2.535 1.00 0.00 C ATOM 508 SD MET A 35 -18.377 -3.249 -2.411 1.00 0.00 S ATOM 509 CE MET A 35 -18.451 -4.370 -1.025 1.00 0.00 C ATOM 0 H MET A 35 -16.662 0.976 -2.021 1.00 0.00 H new ATOM 0 HA MET A 35 -15.542 -0.878 -4.034 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.219 -1.597 -1.715 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.894 -1.265 -1.323 1.00 0.00 H new ATOM 0 HG2 MET A 35 -16.282 -3.214 -3.558 1.00 0.00 H new ATOM 0 HG3 MET A 35 -16.099 -3.748 -1.899 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.356 -4.177 -0.449 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.464 -5.398 -1.388 1.00 0.00 H new ATOM 0 HE3 MET A 35 -17.578 -4.221 -0.390 1.00 0.00 H new ATOM 519 N ARG A 36 -17.750 -1.766 -4.888 1.00 0.00 N ATOM 520 CA ARG A 36 -18.981 -2.027 -5.614 1.00 0.00 C ATOM 521 C ARG A 36 -19.132 -3.525 -5.883 1.00 0.00 C ATOM 522 O ARG A 36 -18.350 -4.107 -6.633 1.00 0.00 O ATOM 523 CB ARG A 36 -19.006 -1.272 -6.945 1.00 0.00 C ATOM 524 CG ARG A 36 -19.583 0.134 -6.768 1.00 0.00 C ATOM 525 CD ARG A 36 -20.137 0.670 -8.089 1.00 0.00 C ATOM 526 NE ARG A 36 -21.615 0.604 -8.082 1.00 0.00 N ATOM 527 CZ ARG A 36 -22.391 1.026 -9.090 1.00 0.00 C ATOM 528 NH1 ARG A 36 -21.834 1.548 -10.191 1.00 0.00 N ATOM 529 NH2 ARG A 36 -23.724 0.927 -8.996 1.00 0.00 N ATOM 0 H ARG A 36 -16.973 -2.381 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.810 -1.680 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.996 -1.206 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.603 -1.825 -7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.375 0.114 -6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -18.808 0.805 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -19.811 1.699 -8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.743 0.087 -8.921 1.00 0.00 H new ATOM 0 HE ARG A 36 -22.072 0.213 -7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.819 1.624 -10.262 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -22.425 1.869 -10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -24.148 0.531 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.315 1.248 -9.763 1.00 0.00 H new ATOM 543 N THR A 37 -20.143 -4.108 -5.255 1.00 0.00 N ATOM 544 CA THR A 37 -20.407 -5.527 -5.416 1.00 0.00 C ATOM 545 C THR A 37 -21.906 -5.774 -5.601 1.00 0.00 C ATOM 546 O THR A 37 -22.719 -4.881 -5.366 1.00 0.00 O ATOM 547 CB THR A 37 -19.815 -6.258 -4.210 1.00 0.00 C ATOM 548 OG1 THR A 37 -19.896 -7.636 -4.565 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.696 -6.142 -2.965 1.00 0.00 C ATOM 0 H THR A 37 -20.789 -3.622 -4.633 1.00 0.00 H new ATOM 0 HA THR A 37 -19.932 -5.917 -6.316 1.00 0.00 H new ATOM 0 HB THR A 37 -18.825 -5.857 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.841 -8.186 -3.756 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.230 -6.678 -2.138 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.811 -5.092 -2.697 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.676 -6.573 -3.171 1.00 0.00 H new ATOM 557 N ASN A 38 -22.226 -6.989 -6.021 1.00 0.00 N ATOM 558 CA ASN A 38 -23.612 -7.364 -6.240 1.00 0.00 C ATOM 559 C ASN A 38 -23.896 -8.690 -5.530 1.00 0.00 C ATOM 560 O ASN A 38 -24.841 -9.395 -5.879 1.00 0.00 O ATOM 561 CB ASN A 38 -23.903 -7.554 -7.730 1.00 0.00 C ATOM 562 CG ASN A 38 -23.264 -8.842 -8.253 1.00 0.00 C ATOM 563 OD1 ASN A 38 -22.113 -9.148 -7.988 1.00 0.00 O ATOM 564 ND2 ASN A 38 -24.074 -9.579 -9.009 1.00 0.00 N ATOM 0 H ASN A 38 -21.549 -7.727 -6.215 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.243 -6.566 -5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -24.980 -7.586 -7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.521 -6.701 -8.291 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.742 -10.458 -9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -25.027 -9.265 -9.192 1.00 0.00 H new ATOM 571 N LEU A 39 -23.059 -8.988 -4.547 1.00 0.00 N ATOM 572 CA LEU A 39 -23.208 -10.217 -3.785 1.00 0.00 C ATOM 573 C LEU A 39 -23.973 -9.921 -2.494 1.00 0.00 C ATOM 574 O LEU A 39 -23.936 -8.800 -1.989 1.00 0.00 O ATOM 575 CB LEU A 39 -21.845 -10.873 -3.556 1.00 0.00 C ATOM 576 CG LEU A 39 -20.924 -10.949 -4.775 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.579 -11.579 -4.407 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.604 -11.683 -5.932 1.00 0.00 C ATOM 0 H LEU A 39 -22.276 -8.400 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.796 -10.944 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.328 -10.325 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.009 -11.885 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.722 -9.933 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.943 -11.621 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.093 -10.977 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.741 -12.588 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -20.927 -11.723 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.856 -12.697 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.514 -11.153 -6.215 1.00 0.00 H new ATOM 590 N PRO A 40 -24.667 -10.974 -1.983 1.00 0.00 N ATOM 591 CA PRO A 40 -25.440 -10.838 -0.760 1.00 0.00 C ATOM 592 C PRO A 40 -24.524 -10.802 0.466 1.00 0.00 C ATOM 593 O PRO A 40 -24.780 -10.062 1.415 1.00 0.00 O ATOM 594 CB PRO A 40 -26.387 -12.027 -0.759 1.00 0.00 C ATOM 595 CG PRO A 40 -25.796 -13.031 -1.736 1.00 0.00 C ATOM 596 CD PRO A 40 -24.734 -12.316 -2.554 1.00 0.00 C ATOM 0 HA PRO A 40 -25.997 -9.902 -0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.473 -12.457 0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.390 -11.728 -1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.361 -13.875 -1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.573 -13.433 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.772 -12.824 -2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -25.002 -12.284 -3.610 1.00 0.00 H new ATOM 604 N ILE A 41 -23.476 -11.610 0.406 1.00 0.00 N ATOM 605 CA ILE A 41 -22.522 -11.680 1.499 1.00 0.00 C ATOM 606 C ILE A 41 -22.319 -10.280 2.084 1.00 0.00 C ATOM 607 O ILE A 41 -22.283 -10.111 3.302 1.00 0.00 O ATOM 608 CB ILE A 41 -21.225 -12.347 1.037 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.362 -11.370 0.235 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.517 -13.629 0.254 1.00 0.00 C ATOM 611 CD1 ILE A 41 -18.953 -11.929 0.024 1.00 0.00 C ATOM 0 H ILE A 41 -23.267 -12.222 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.908 -12.309 2.301 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.653 -12.632 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -20.828 -11.176 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.304 -10.416 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.578 -14.084 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.062 -14.327 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.119 -13.391 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.360 -11.215 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.481 -12.099 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.013 -12.871 -0.521 1.00 0.00 H new ATOM 623 N PHE A 42 -22.192 -9.312 1.188 1.00 0.00 N ATOM 624 CA PHE A 42 -21.994 -7.933 1.599 1.00 0.00 C ATOM 625 C PHE A 42 -23.323 -7.280 1.985 1.00 0.00 C ATOM 626 O PHE A 42 -24.333 -7.475 1.311 1.00 0.00 O ATOM 627 CB PHE A 42 -21.403 -7.189 0.400 1.00 0.00 C ATOM 628 CG PHE A 42 -19.961 -7.583 0.073 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.711 -8.697 -0.666 1.00 0.00 C ATOM 630 CD2 PHE A 42 -18.929 -6.819 0.521 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.373 -9.063 -0.970 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.591 -7.185 0.218 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.341 -8.299 -0.521 1.00 0.00 C ATOM 0 H PHE A 42 -22.222 -9.456 0.179 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.335 -7.894 2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.027 -7.376 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.441 -6.117 0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.531 -9.304 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.127 -5.934 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.175 -9.947 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -16.772 -6.579 0.574 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.323 -8.577 -0.751 1.00 0.00 H new ATOM 643 N LYS A 43 -23.278 -6.518 3.068 1.00 0.00 N ATOM 644 CA LYS A 43 -24.466 -5.834 3.551 1.00 0.00 C ATOM 645 C LYS A 43 -24.831 -4.708 2.582 1.00 0.00 C ATOM 646 O LYS A 43 -25.966 -4.631 2.114 1.00 0.00 O ATOM 647 CB LYS A 43 -24.264 -5.364 4.993 1.00 0.00 C ATOM 648 CG LYS A 43 -25.521 -4.673 5.526 1.00 0.00 C ATOM 649 CD LYS A 43 -26.061 -5.395 6.762 1.00 0.00 C ATOM 650 CE LYS A 43 -26.577 -4.395 7.799 1.00 0.00 C ATOM 651 NZ LYS A 43 -25.557 -4.161 8.845 1.00 0.00 N ATOM 0 H LYS A 43 -22.438 -6.359 3.625 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.315 -6.518 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.017 -6.216 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.419 -4.677 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -25.292 -3.637 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.286 -4.652 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -26.866 -6.070 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.274 -6.008 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -26.829 -3.453 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -27.493 -4.773 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -25.923 -3.480 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -25.337 -5.059 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -24.693 -3.780 8.409 1.00 0.00 H new ATOM 665 N LEU A 44 -23.848 -3.862 2.311 1.00 0.00 N ATOM 666 CA LEU A 44 -24.052 -2.744 1.406 1.00 0.00 C ATOM 667 C LEU A 44 -23.551 -3.124 0.011 1.00 0.00 C ATOM 668 O LEU A 44 -22.646 -3.946 -0.125 1.00 0.00 O ATOM 669 CB LEU A 44 -23.405 -1.476 1.968 1.00 0.00 C ATOM 670 CG LEU A 44 -23.583 -1.240 3.469 1.00 0.00 C ATOM 671 CD1 LEU A 44 -22.898 0.057 3.905 1.00 0.00 C ATOM 672 CD2 LEU A 44 -25.063 -1.265 3.855 1.00 0.00 C ATOM 0 H LEU A 44 -22.908 -3.928 2.702 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.114 -2.518 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.338 -1.510 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.813 -0.617 1.435 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.097 -2.056 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -23.040 0.201 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -21.832 -0.003 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.334 0.898 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.162 -1.095 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.594 -0.483 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.489 -2.236 3.601 1.00 0.00 H new ATOM 684 N LYS A 45 -24.161 -2.507 -0.990 1.00 0.00 N ATOM 685 CA LYS A 45 -23.789 -2.770 -2.369 1.00 0.00 C ATOM 686 C LYS A 45 -22.642 -1.840 -2.770 1.00 0.00 C ATOM 687 O LYS A 45 -21.765 -2.227 -3.541 1.00 0.00 O ATOM 688 CB LYS A 45 -25.011 -2.667 -3.284 1.00 0.00 C ATOM 689 CG LYS A 45 -26.154 -3.546 -2.772 1.00 0.00 C ATOM 690 CD LYS A 45 -25.921 -5.015 -3.134 1.00 0.00 C ATOM 691 CE LYS A 45 -27.249 -5.760 -3.281 1.00 0.00 C ATOM 692 NZ LYS A 45 -27.095 -7.177 -2.882 1.00 0.00 N ATOM 0 H LYS A 45 -24.911 -1.825 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.425 -3.792 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.342 -1.630 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.739 -2.970 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.240 -3.444 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.098 -3.208 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.359 -5.079 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.316 -5.492 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -28.011 -5.283 -2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.593 -5.702 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -28.005 -7.668 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.383 -7.633 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.788 -7.227 -1.890 1.00 0.00 H new ATOM 706 N GLU A 46 -22.685 -0.632 -2.227 1.00 0.00 N ATOM 707 CA GLU A 46 -21.660 0.356 -2.518 1.00 0.00 C ATOM 708 C GLU A 46 -21.571 1.378 -1.384 1.00 0.00 C ATOM 709 O GLU A 46 -22.587 1.756 -0.803 1.00 0.00 O ATOM 710 CB GLU A 46 -21.927 1.045 -3.858 1.00 0.00 C ATOM 711 CG GLU A 46 -20.924 2.174 -4.103 1.00 0.00 C ATOM 712 CD GLU A 46 -21.607 3.541 -4.021 1.00 0.00 C ATOM 713 OE1 GLU A 46 -21.844 3.989 -2.878 1.00 0.00 O ATOM 714 OE2 GLU A 46 -21.878 4.106 -5.102 1.00 0.00 O ATOM 0 H GLU A 46 -23.414 -0.315 -1.587 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.701 -0.156 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -21.863 0.315 -4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.941 1.445 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -20.122 2.119 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -20.465 2.051 -5.084 1.00 0.00 H new ATOM 721 N SER A 47 -20.346 1.797 -1.102 1.00 0.00 N ATOM 722 CA SER A 47 -20.111 2.768 -0.047 1.00 0.00 C ATOM 723 C SER A 47 -18.788 3.498 -0.292 1.00 0.00 C ATOM 724 O SER A 47 -17.981 3.067 -1.114 1.00 0.00 O ATOM 725 CB SER A 47 -20.100 2.097 1.327 1.00 0.00 C ATOM 726 OG SER A 47 -20.073 3.050 2.387 1.00 0.00 O ATOM 0 H SER A 47 -19.505 1.482 -1.586 1.00 0.00 H new ATOM 0 HA SER A 47 -20.926 3.492 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.983 1.466 1.429 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.231 1.444 1.405 1.00 0.00 H new ATOM 0 HG SER A 47 -20.229 2.594 3.241 1.00 0.00 H new ATOM 732 N CYS A 48 -18.608 4.590 0.436 1.00 0.00 N ATOM 733 CA CYS A 48 -17.397 5.383 0.308 1.00 0.00 C ATOM 734 C CYS A 48 -16.886 5.709 1.712 1.00 0.00 C ATOM 735 O CYS A 48 -17.609 6.287 2.521 1.00 0.00 O ATOM 736 CB CYS A 48 -17.634 6.647 -0.521 1.00 0.00 C ATOM 737 SG CYS A 48 -18.785 7.765 0.357 1.00 0.00 S ATOM 0 H CYS A 48 -19.280 4.944 1.116 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.640 4.812 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.687 7.156 -0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -18.044 6.381 -1.495 1.00 0.00 H new ATOM 0 HG CYS A 48 -18.728 7.530 1.634 1.00 0.00 H new ATOM 743 N VAL A 49 -15.642 5.324 1.959 1.00 0.00 N ATOM 744 CA VAL A 49 -15.026 5.568 3.252 1.00 0.00 C ATOM 745 C VAL A 49 -13.587 6.047 3.044 1.00 0.00 C ATOM 746 O VAL A 49 -13.124 6.156 1.909 1.00 0.00 O ATOM 747 CB VAL A 49 -15.118 4.313 4.121 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.577 3.916 4.359 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.330 3.157 3.501 1.00 0.00 C ATOM 0 H VAL A 49 -15.044 4.845 1.285 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.558 6.356 3.786 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.671 4.543 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.614 3.021 4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -17.098 4.729 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -17.060 3.715 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.412 2.277 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.734 2.929 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.282 3.440 3.407 1.00 0.00 H new ATOM 759 N ARG A 50 -12.921 6.319 4.156 1.00 0.00 N ATOM 760 CA ARG A 50 -11.545 6.783 4.110 1.00 0.00 C ATOM 761 C ARG A 50 -10.710 6.076 5.180 1.00 0.00 C ATOM 762 O ARG A 50 -11.150 5.932 6.320 1.00 0.00 O ATOM 763 CB ARG A 50 -11.466 8.295 4.327 1.00 0.00 C ATOM 764 CG ARG A 50 -10.920 9.000 3.084 1.00 0.00 C ATOM 765 CD ARG A 50 -10.582 10.461 3.387 1.00 0.00 C ATOM 766 NE ARG A 50 -10.914 11.310 2.220 1.00 0.00 N ATOM 767 CZ ARG A 50 -12.152 11.466 1.732 1.00 0.00 C ATOM 768 NH1 ARG A 50 -13.183 10.832 2.307 1.00 0.00 N ATOM 769 NH2 ARG A 50 -12.359 12.255 0.670 1.00 0.00 N ATOM 0 H ARG A 50 -13.309 6.227 5.095 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.149 6.548 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.456 8.684 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.825 8.510 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -10.028 8.482 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.656 8.952 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.138 10.798 4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.523 10.556 3.627 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.152 11.807 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.025 10.231 3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.126 10.950 1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.574 12.737 0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.302 12.374 0.299 1.00 0.00 H new ATOM 783 N ARG A 51 -9.521 5.655 4.775 1.00 0.00 N ATOM 784 CA ARG A 51 -8.621 4.967 5.685 1.00 0.00 C ATOM 785 C ARG A 51 -7.174 5.117 5.214 1.00 0.00 C ATOM 786 O ARG A 51 -6.925 5.531 4.083 1.00 0.00 O ATOM 787 CB ARG A 51 -8.967 3.480 5.783 1.00 0.00 C ATOM 788 CG ARG A 51 -9.741 3.181 7.069 1.00 0.00 C ATOM 789 CD ARG A 51 -8.787 2.967 8.246 1.00 0.00 C ATOM 790 NE ARG A 51 -9.504 3.179 9.523 1.00 0.00 N ATOM 791 CZ ARG A 51 -9.667 4.376 10.103 1.00 0.00 C ATOM 792 NH1 ARG A 51 -9.165 5.475 9.524 1.00 0.00 N ATOM 793 NH2 ARG A 51 -10.331 4.473 11.263 1.00 0.00 N ATOM 0 H ARG A 51 -9.160 5.777 3.829 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.735 5.420 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.562 3.184 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.052 2.888 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.418 4.006 7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.357 2.292 6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.376 1.958 8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.946 3.656 8.173 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.899 2.363 9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.659 5.401 8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.289 6.386 9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.712 3.636 11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.455 5.384 11.705 1.00 0.00 H new ATOM 807 N ARG A 52 -6.256 4.771 6.105 1.00 0.00 N ATOM 808 CA ARG A 52 -4.839 4.862 5.794 1.00 0.00 C ATOM 809 C ARG A 52 -4.291 3.486 5.409 1.00 0.00 C ATOM 810 O ARG A 52 -4.805 2.462 5.856 1.00 0.00 O ATOM 811 CB ARG A 52 -4.048 5.403 6.986 1.00 0.00 C ATOM 812 CG ARG A 52 -4.620 6.739 7.464 1.00 0.00 C ATOM 813 CD ARG A 52 -3.751 7.344 8.569 1.00 0.00 C ATOM 814 NE ARG A 52 -2.335 6.968 8.362 1.00 0.00 N ATOM 815 CZ ARG A 52 -1.776 5.852 8.848 1.00 0.00 C ATOM 816 NH1 ARG A 52 -2.509 4.995 9.572 1.00 0.00 N ATOM 817 NH2 ARG A 52 -0.483 5.592 8.610 1.00 0.00 N ATOM 0 H ARG A 52 -6.466 4.427 7.042 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.726 5.549 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.073 4.680 7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.003 5.531 6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.683 7.432 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.635 6.593 7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.851 8.429 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.090 6.993 9.543 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.748 7.598 7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.493 5.192 9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.083 4.145 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.075 6.244 8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.057 4.742 8.980 1.00 0.00 H new ATOM 831 N TYR A 53 -3.256 3.508 4.582 1.00 0.00 N ATOM 832 CA TYR A 53 -2.633 2.275 4.131 1.00 0.00 C ATOM 833 C TYR A 53 -2.509 1.272 5.280 1.00 0.00 C ATOM 834 O TYR A 53 -2.962 0.134 5.167 1.00 0.00 O ATOM 835 CB TYR A 53 -1.232 2.661 3.653 1.00 0.00 C ATOM 836 CG TYR A 53 -0.223 1.511 3.690 1.00 0.00 C ATOM 837 CD1 TYR A 53 -0.227 0.558 2.691 1.00 0.00 C ATOM 838 CD2 TYR A 53 0.690 1.427 4.721 1.00 0.00 C ATOM 839 CE1 TYR A 53 0.722 -0.524 2.725 1.00 0.00 C ATOM 840 CE2 TYR A 53 1.640 0.345 4.755 1.00 0.00 C ATOM 841 CZ TYR A 53 1.609 -0.577 3.755 1.00 0.00 C ATOM 842 OH TYR A 53 2.506 -1.599 3.788 1.00 0.00 O ATOM 0 H TYR A 53 -2.833 4.360 4.213 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.228 1.808 3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.299 3.040 2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.860 3.477 4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.942 0.624 1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.692 2.172 5.502 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.730 -1.277 1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.360 0.267 5.556 1.00 0.00 H new ATOM 0 HH TYR A 53 2.635 -1.891 4.714 1.00 0.00 H new ATOM 852 N SER A 54 -1.892 1.730 6.359 1.00 0.00 N ATOM 853 CA SER A 54 -1.702 0.886 7.527 1.00 0.00 C ATOM 854 C SER A 54 -2.929 -0.003 7.736 1.00 0.00 C ATOM 855 O SER A 54 -2.809 -1.131 8.211 1.00 0.00 O ATOM 856 CB SER A 54 -1.438 1.728 8.777 1.00 0.00 C ATOM 857 OG SER A 54 -0.071 2.118 8.879 1.00 0.00 O ATOM 0 H SER A 54 -1.517 2.674 6.449 1.00 0.00 H new ATOM 0 HA SER A 54 -0.830 0.255 7.355 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.068 2.617 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.720 1.160 9.663 1.00 0.00 H new ATOM 0 HG SER A 54 0.056 2.655 9.689 1.00 0.00 H new ATOM 863 N ASP A 55 -4.082 0.539 7.370 1.00 0.00 N ATOM 864 CA ASP A 55 -5.330 -0.191 7.511 1.00 0.00 C ATOM 865 C ASP A 55 -5.189 -1.566 6.853 1.00 0.00 C ATOM 866 O ASP A 55 -5.348 -2.592 7.512 1.00 0.00 O ATOM 867 CB ASP A 55 -6.480 0.546 6.823 1.00 0.00 C ATOM 868 CG ASP A 55 -7.860 -0.085 7.015 1.00 0.00 C ATOM 869 OD1 ASP A 55 -7.902 -1.192 7.594 1.00 0.00 O ATOM 870 OD2 ASP A 55 -8.843 0.553 6.579 1.00 0.00 O ATOM 0 H ASP A 55 -4.178 1.475 6.976 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.547 -0.285 8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.510 1.570 7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.268 0.602 5.755 1.00 0.00 H new ATOM 875 N PHE A 56 -4.892 -1.541 5.562 1.00 0.00 N ATOM 876 CA PHE A 56 -4.728 -2.772 4.808 1.00 0.00 C ATOM 877 C PHE A 56 -3.835 -3.761 5.561 1.00 0.00 C ATOM 878 O PHE A 56 -4.158 -4.943 5.660 1.00 0.00 O ATOM 879 CB PHE A 56 -4.055 -2.400 3.485 1.00 0.00 C ATOM 880 CG PHE A 56 -4.998 -1.758 2.466 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.838 -2.536 1.732 1.00 0.00 C ATOM 882 CD2 PHE A 56 -4.997 -0.409 2.294 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.714 -1.940 0.787 1.00 0.00 C ATOM 884 CE2 PHE A 56 -5.873 0.187 1.349 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.712 -0.591 0.615 1.00 0.00 C ATOM 0 H PHE A 56 -4.761 -0.688 5.019 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.698 -3.245 4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.234 -1.713 3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.619 -3.297 3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.839 -3.607 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.330 0.209 2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.382 -2.558 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.873 1.258 1.213 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.377 -0.138 -0.105 1.00 0.00 H new ATOM 895 N GLU A 57 -2.729 -3.240 6.071 1.00 0.00 N ATOM 896 CA GLU A 57 -1.787 -4.062 6.812 1.00 0.00 C ATOM 897 C GLU A 57 -2.498 -4.782 7.959 1.00 0.00 C ATOM 898 O GLU A 57 -2.272 -5.969 8.187 1.00 0.00 O ATOM 899 CB GLU A 57 -0.618 -3.223 7.332 1.00 0.00 C ATOM 900 CG GLU A 57 0.576 -3.295 6.377 1.00 0.00 C ATOM 901 CD GLU A 57 1.890 -3.051 7.123 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.041 -3.642 8.214 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.712 -2.279 6.585 1.00 0.00 O ATOM 0 H GLU A 57 -2.464 -2.259 5.986 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.380 -4.813 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.933 -2.186 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.321 -3.578 8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.603 -4.273 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.459 -2.554 5.586 1.00 0.00 H new ATOM 910 N TRP A 58 -3.344 -4.032 8.652 1.00 0.00 N ATOM 911 CA TRP A 58 -4.090 -4.584 9.770 1.00 0.00 C ATOM 912 C TRP A 58 -5.121 -5.566 9.211 1.00 0.00 C ATOM 913 O TRP A 58 -5.552 -6.483 9.909 1.00 0.00 O ATOM 914 CB TRP A 58 -4.717 -3.472 10.612 1.00 0.00 C ATOM 915 CG TRP A 58 -5.627 -3.979 11.734 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.368 -4.026 13.048 1.00 0.00 C ATOM 917 CD2 TRP A 58 -6.960 -4.510 11.585 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.432 -4.548 13.754 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.432 -4.852 12.836 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.742 -4.697 10.432 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.701 -5.400 13.054 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.008 -5.246 10.666 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.498 -5.595 11.919 1.00 0.00 C ATOM 0 H TRP A 58 -3.529 -3.047 8.460 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.428 -5.123 10.448 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.921 -2.868 11.048 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.293 -2.817 9.959 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.443 -3.697 13.498 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.477 -4.686 14.764 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.393 -4.437 9.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.047 -5.659 14.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.649 -5.410 9.813 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.488 -6.014 12.017 1.00 0.00 H new ATOM 934 N LEU A 59 -5.489 -5.340 7.959 1.00 0.00 N ATOM 935 CA LEU A 59 -6.462 -6.193 7.299 1.00 0.00 C ATOM 936 C LEU A 59 -5.781 -7.491 6.858 1.00 0.00 C ATOM 937 O LEU A 59 -6.170 -8.576 7.285 1.00 0.00 O ATOM 938 CB LEU A 59 -7.148 -5.440 6.157 1.00 0.00 C ATOM 939 CG LEU A 59 -7.467 -6.263 4.907 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.600 -7.254 5.177 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.772 -5.353 3.715 1.00 0.00 C ATOM 0 H LEU A 59 -5.131 -4.578 7.384 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.257 -6.469 7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.078 -5.015 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.512 -4.605 5.865 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.584 -6.848 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.806 -7.826 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.306 -7.934 5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.496 -6.710 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.995 -5.963 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.631 -4.724 3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.907 -4.723 3.507 1.00 0.00 H new ATOM 953 N LYS A 60 -4.776 -7.335 6.009 1.00 0.00 N ATOM 954 CA LYS A 60 -4.037 -8.480 5.505 1.00 0.00 C ATOM 955 C LYS A 60 -3.762 -9.450 6.656 1.00 0.00 C ATOM 956 O LYS A 60 -4.238 -10.584 6.644 1.00 0.00 O ATOM 957 CB LYS A 60 -2.775 -8.023 4.771 1.00 0.00 C ATOM 958 CG LYS A 60 -1.719 -9.130 4.754 1.00 0.00 C ATOM 959 CD LYS A 60 -0.639 -8.842 3.710 1.00 0.00 C ATOM 960 CE LYS A 60 0.424 -9.942 3.702 1.00 0.00 C ATOM 961 NZ LYS A 60 1.201 -9.922 4.961 1.00 0.00 N ATOM 0 H LYS A 60 -4.456 -6.433 5.657 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.629 -9.020 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.027 -7.740 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.369 -7.136 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.263 -9.217 5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.194 -10.087 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.094 -8.764 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.171 -7.881 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.052 -10.915 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.093 -9.803 2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.048 -10.516 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.487 -8.946 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.615 -10.291 5.737 1.00 0.00 H new ATOM 975 N ASN A 61 -2.994 -8.968 7.623 1.00 0.00 N ATOM 976 CA ASN A 61 -2.650 -9.779 8.779 1.00 0.00 C ATOM 977 C ASN A 61 -3.893 -10.530 9.258 1.00 0.00 C ATOM 978 O ASN A 61 -3.885 -11.757 9.350 1.00 0.00 O ATOM 979 CB ASN A 61 -2.150 -8.907 9.933 1.00 0.00 C ATOM 980 CG ASN A 61 -1.202 -9.692 10.842 1.00 0.00 C ATOM 981 OD1 ASN A 61 -0.467 -10.565 10.410 1.00 0.00 O ATOM 982 ND2 ASN A 61 -1.260 -9.335 12.121 1.00 0.00 N ATOM 0 H ASN A 61 -2.601 -8.027 7.630 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.863 -10.472 8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.637 -8.031 9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.998 -8.544 10.513 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.666 -9.800 12.808 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.898 -8.596 12.416 1.00 0.00 H new ATOM 989 N GLU A 62 -4.933 -9.763 9.551 1.00 0.00 N ATOM 990 CA GLU A 62 -6.182 -10.341 10.018 1.00 0.00 C ATOM 991 C GLU A 62 -6.585 -11.521 9.132 1.00 0.00 C ATOM 992 O GLU A 62 -7.162 -12.495 9.613 1.00 0.00 O ATOM 993 CB GLU A 62 -7.290 -9.287 10.065 1.00 0.00 C ATOM 994 CG GLU A 62 -7.261 -8.520 11.389 1.00 0.00 C ATOM 995 CD GLU A 62 -7.438 -9.468 12.576 1.00 0.00 C ATOM 996 OE1 GLU A 62 -8.609 -9.750 12.908 1.00 0.00 O ATOM 997 OE2 GLU A 62 -6.397 -9.889 13.126 1.00 0.00 O ATOM 0 H GLU A 62 -4.936 -8.746 9.474 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.032 -10.709 11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.170 -8.591 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.260 -9.768 9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.315 -7.986 11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.052 -7.770 11.397 1.00 0.00 H new ATOM 1004 N LEU A 63 -6.265 -11.395 7.852 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.587 -12.439 6.894 1.00 0.00 C ATOM 1006 C LEU A 63 -5.585 -13.586 7.041 1.00 0.00 C ATOM 1007 O LEU A 63 -5.933 -14.749 6.841 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.660 -11.864 5.479 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.588 -10.661 5.291 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.214 -9.872 4.035 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -9.055 -11.097 5.279 1.00 0.00 C ATOM 0 H LEU A 63 -5.786 -10.586 7.456 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.576 -12.850 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.655 -11.574 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.982 -12.656 4.803 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.458 -9.992 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.888 -9.023 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.189 -9.512 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.298 -10.518 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.693 -10.224 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.220 -11.797 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.298 -11.582 6.225 1.00 0.00 H new ATOM 1023 N GLU A 64 -4.360 -13.219 7.388 1.00 0.00 N ATOM 1024 CA GLU A 64 -3.305 -14.202 7.563 1.00 0.00 C ATOM 1025 C GLU A 64 -3.321 -14.748 8.992 1.00 0.00 C ATOM 1026 O GLU A 64 -2.270 -14.899 9.614 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.938 -13.607 7.218 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.774 -13.453 5.705 1.00 0.00 C ATOM 1029 CD GLU A 64 -1.362 -14.778 5.060 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -0.169 -15.128 5.194 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -2.248 -15.411 4.448 1.00 0.00 O ATOM 0 H GLU A 64 -4.075 -12.254 7.553 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.488 -15.029 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.828 -12.636 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.149 -14.249 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.711 -13.107 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.023 -12.692 5.493 1.00 0.00 H new ATOM 1107 N ILE A 69 -5.981 -19.009 3.550 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.235 -17.760 2.853 1.00 0.00 C ATOM 1109 C ILE A 69 -4.936 -17.263 2.215 1.00 0.00 C ATOM 1110 O ILE A 69 -3.900 -17.200 2.875 1.00 0.00 O ATOM 1111 CB ILE A 69 -6.885 -16.744 3.796 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.268 -17.219 4.244 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -6.935 -15.355 3.155 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.136 -16.039 4.687 1.00 0.00 C ATOM 0 HA ILE A 69 -6.949 -17.913 2.044 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.267 -16.664 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.757 -17.748 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.165 -17.928 5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.401 -14.652 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.922 -15.023 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.517 -15.400 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.114 -16.404 5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.656 -15.527 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.258 -15.344 3.856 1.00 0.00 H new ATOM 1126 N VAL A 70 -5.035 -16.923 0.938 1.00 0.00 N ATOM 1127 CA VAL A 70 -3.880 -16.434 0.203 1.00 0.00 C ATOM 1128 C VAL A 70 -3.999 -14.919 0.024 1.00 0.00 C ATOM 1129 O VAL A 70 -4.728 -14.449 -0.848 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.749 -17.184 -1.124 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.636 -16.584 -1.985 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.515 -18.678 -0.888 1.00 0.00 C ATOM 0 H VAL A 70 -5.896 -16.976 0.394 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.963 -16.625 0.761 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.688 -17.073 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.564 -17.135 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.862 -15.539 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.688 -16.650 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.425 -19.188 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.598 -18.817 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.355 -19.095 -0.333 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.272 -14.197 0.864 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.287 -12.745 0.809 1.00 0.00 C ATOM 1144 C VAL A 71 -2.069 -12.256 0.023 1.00 0.00 C ATOM 1145 O VAL A 71 -0.961 -12.754 0.215 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.355 -12.169 2.225 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.794 -10.704 2.200 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.280 -13.004 3.113 1.00 0.00 C ATOM 0 H VAL A 71 -2.669 -14.590 1.586 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.175 -12.392 0.285 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.353 -12.211 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.834 -10.319 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.080 -10.120 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.781 -10.628 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.310 -12.573 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.284 -13.009 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.905 -14.026 3.169 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.323 -11.262 -0.869 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.261 -10.700 -1.686 1.00 0.00 C ATOM 1160 C PRO A 72 -0.364 -9.777 -0.859 1.00 0.00 C ATOM 1161 O PRO A 72 -0.725 -9.383 0.249 1.00 0.00 O ATOM 1162 CB PRO A 72 -1.974 -9.978 -2.817 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.402 -9.767 -2.342 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.623 -10.648 -1.123 1.00 0.00 C ATOM 0 HA PRO A 72 -0.586 -11.460 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.491 -9.026 -3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.950 -10.568 -3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.570 -8.720 -2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.109 -10.023 -3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.959 -10.063 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.387 -11.402 -1.313 1.00 0.00 H new ATOM 1172 N PRO A 73 0.820 -9.449 -1.445 1.00 0.00 N ATOM 1173 CA PRO A 73 1.771 -8.580 -0.774 1.00 0.00 C ATOM 1174 C PRO A 73 1.307 -7.122 -0.818 1.00 0.00 C ATOM 1175 O PRO A 73 0.652 -6.704 -1.771 1.00 0.00 O ATOM 1176 CB PRO A 73 3.088 -8.805 -1.499 1.00 0.00 C ATOM 1177 CG PRO A 73 2.727 -9.436 -2.834 1.00 0.00 C ATOM 1178 CD PRO A 73 1.281 -9.897 -2.756 1.00 0.00 C ATOM 0 HA PRO A 73 1.871 -8.806 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.620 -7.865 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.744 -9.458 -0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.855 -8.717 -3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.385 -10.278 -3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.683 -9.462 -3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.205 -10.980 -2.854 1.00 0.00 H new ATOM 1186 N LEU A 74 1.665 -6.390 0.227 1.00 0.00 N ATOM 1187 CA LEU A 74 1.293 -4.988 0.320 1.00 0.00 C ATOM 1188 C LEU A 74 2.422 -4.127 -0.248 1.00 0.00 C ATOM 1189 O LEU A 74 3.598 -4.452 -0.087 1.00 0.00 O ATOM 1190 CB LEU A 74 0.910 -4.630 1.757 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.522 -4.972 2.175 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.668 -4.952 3.698 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.529 -4.046 1.490 1.00 0.00 C ATOM 0 H LEU A 74 2.208 -6.741 1.016 1.00 0.00 H new ATOM 0 HA LEU A 74 0.406 -4.788 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.596 -5.140 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.062 -3.560 1.897 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.742 -5.987 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.695 -5.198 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.009 -5.684 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.422 -3.959 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.539 -4.310 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.321 -3.013 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.446 -4.154 0.409 1.00 0.00 H new ATOM 1205 N PRO A 75 2.016 -3.016 -0.919 1.00 0.00 N ATOM 1206 CA PRO A 75 2.980 -2.105 -1.512 1.00 0.00 C ATOM 1207 C PRO A 75 3.660 -1.251 -0.440 1.00 0.00 C ATOM 1208 O PRO A 75 3.511 -0.030 -0.427 1.00 0.00 O ATOM 1209 CB PRO A 75 2.182 -1.281 -2.510 1.00 0.00 C ATOM 1210 CG PRO A 75 0.725 -1.438 -2.108 1.00 0.00 C ATOM 1211 CD PRO A 75 0.633 -2.599 -1.130 1.00 0.00 C ATOM 0 HA PRO A 75 3.798 -2.625 -2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.484 -0.234 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.347 -1.634 -3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.355 -0.522 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.106 -1.627 -2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.165 -2.293 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.032 -3.412 -1.536 1.00 0.00 H new ATOM 1219 N GLY A 76 4.391 -1.927 0.434 1.00 0.00 N ATOM 1220 CA GLY A 76 5.093 -1.245 1.508 1.00 0.00 C ATOM 1221 C GLY A 76 6.565 -1.662 1.551 1.00 0.00 C ATOM 1222 O GLY A 76 7.203 -1.809 0.510 1.00 0.00 O ATOM 0 H GLY A 76 4.512 -2.940 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.021 -0.167 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.618 -1.475 2.462 1.00 0.00 H new ATOM 1512 N GLU A 94 4.425 12.677 -6.228 1.00 0.00 N ATOM 1513 CA GLU A 94 3.156 12.284 -6.816 1.00 0.00 C ATOM 1514 C GLU A 94 3.279 10.909 -7.474 1.00 0.00 C ATOM 1515 O GLU A 94 2.288 10.349 -7.940 1.00 0.00 O ATOM 1516 CB GLU A 94 2.669 13.331 -7.820 1.00 0.00 C ATOM 1517 CG GLU A 94 3.785 13.718 -8.793 1.00 0.00 C ATOM 1518 CD GLU A 94 3.210 14.132 -10.149 1.00 0.00 C ATOM 1519 OE1 GLU A 94 2.288 14.976 -10.141 1.00 0.00 O ATOM 1520 OE2 GLU A 94 3.706 13.595 -11.163 1.00 0.00 O ATOM 0 HA GLU A 94 2.414 12.219 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.817 12.939 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.322 14.217 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.368 14.539 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.466 12.877 -8.924 1.00 0.00 H new ATOM 1527 N SER A 95 4.504 10.404 -7.492 1.00 0.00 N ATOM 1528 CA SER A 95 4.769 9.105 -8.086 1.00 0.00 C ATOM 1529 C SER A 95 4.711 8.017 -7.012 1.00 0.00 C ATOM 1530 O SER A 95 4.290 6.893 -7.284 1.00 0.00 O ATOM 1531 CB SER A 95 6.129 9.087 -8.787 1.00 0.00 C ATOM 1532 OG SER A 95 6.001 8.945 -10.199 1.00 0.00 O ATOM 0 H SER A 95 5.324 10.871 -7.105 1.00 0.00 H new ATOM 0 HA SER A 95 4.002 8.908 -8.835 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.664 10.010 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.729 8.266 -8.393 1.00 0.00 H new ATOM 0 HG SER A 95 6.891 8.940 -10.609 1.00 0.00 H new ATOM 1538 N PHE A 96 5.138 8.388 -5.815 1.00 0.00 N ATOM 1539 CA PHE A 96 5.140 7.458 -4.698 1.00 0.00 C ATOM 1540 C PHE A 96 3.713 7.140 -4.248 1.00 0.00 C ATOM 1541 O PHE A 96 3.336 5.973 -4.146 1.00 0.00 O ATOM 1542 CB PHE A 96 5.885 8.140 -3.549 1.00 0.00 C ATOM 1543 CG PHE A 96 6.043 7.264 -2.304 1.00 0.00 C ATOM 1544 CD1 PHE A 96 6.896 6.205 -2.322 1.00 0.00 C ATOM 1545 CD2 PHE A 96 5.331 7.545 -1.180 1.00 0.00 C ATOM 1546 CE1 PHE A 96 7.043 5.393 -1.166 1.00 0.00 C ATOM 1547 CE2 PHE A 96 5.478 6.733 -0.025 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.331 5.674 -0.042 1.00 0.00 C ATOM 0 H PHE A 96 5.486 9.321 -5.593 1.00 0.00 H new ATOM 0 HA PHE A 96 5.616 6.523 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.873 8.440 -3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.353 9.051 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.461 5.982 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.654 8.386 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.721 4.552 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.912 6.956 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.443 5.056 0.837 1.00 0.00 H new ATOM 1558 N ILE A 97 2.958 8.198 -3.991 1.00 0.00 N ATOM 1559 CA ILE A 97 1.580 8.045 -3.554 1.00 0.00 C ATOM 1560 C ILE A 97 0.828 7.162 -4.551 1.00 0.00 C ATOM 1561 O ILE A 97 0.152 6.212 -4.158 1.00 0.00 O ATOM 1562 CB ILE A 97 0.933 9.414 -3.335 1.00 0.00 C ATOM 1563 CG1 ILE A 97 1.221 9.938 -1.926 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -0.566 9.366 -3.634 1.00 0.00 C ATOM 1565 CD1 ILE A 97 1.094 11.462 -1.871 1.00 0.00 C ATOM 0 H ILE A 97 3.274 9.164 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 97 1.540 7.541 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 97 1.379 10.119 -4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.527 9.486 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.225 9.642 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.001 10.352 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.721 9.068 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.046 8.643 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.304 11.808 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.806 11.912 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.082 11.753 -2.152 1.00 0.00 H new ATOM 1577 N GLU A 98 0.971 7.506 -5.822 1.00 0.00 N ATOM 1578 CA GLU A 98 0.313 6.756 -6.879 1.00 0.00 C ATOM 1579 C GLU A 98 0.650 5.268 -6.763 1.00 0.00 C ATOM 1580 O GLU A 98 -0.244 4.423 -6.766 1.00 0.00 O ATOM 1581 CB GLU A 98 0.696 7.299 -8.257 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.549 7.630 -9.082 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.277 8.789 -10.044 1.00 0.00 C ATOM 1584 OE1 GLU A 98 -0.036 9.905 -9.534 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -0.317 8.532 -11.266 1.00 0.00 O ATOM 0 H GLU A 98 1.533 8.294 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.765 6.875 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.309 8.193 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.302 6.563 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.861 6.751 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.372 7.890 -8.417 1.00 0.00 H new ATOM 1592 N GLU A 99 1.942 4.993 -6.662 1.00 0.00 N ATOM 1593 CA GLU A 99 2.408 3.622 -6.545 1.00 0.00 C ATOM 1594 C GLU A 99 1.588 2.870 -5.494 1.00 0.00 C ATOM 1595 O GLU A 99 1.253 1.702 -5.682 1.00 0.00 O ATOM 1596 CB GLU A 99 3.901 3.577 -6.211 1.00 0.00 C ATOM 1597 CG GLU A 99 4.627 2.552 -7.084 1.00 0.00 C ATOM 1598 CD GLU A 99 5.418 1.562 -6.226 1.00 0.00 C ATOM 1599 OE1 GLU A 99 4.808 0.549 -5.820 1.00 0.00 O ATOM 1600 OE2 GLU A 99 6.614 1.841 -5.995 1.00 0.00 O ATOM 0 H GLU A 99 2.681 5.696 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 99 2.269 3.128 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.341 4.563 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.035 3.324 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.904 2.012 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.302 3.065 -7.769 1.00 0.00 H new ATOM 1607 N ARG A 100 1.289 3.572 -4.411 1.00 0.00 N ATOM 1608 CA ARG A 100 0.515 2.986 -3.330 1.00 0.00 C ATOM 1609 C ARG A 100 -0.971 2.965 -3.692 1.00 0.00 C ATOM 1610 O ARG A 100 -1.626 1.929 -3.581 1.00 0.00 O ATOM 1611 CB ARG A 100 0.704 3.768 -2.029 1.00 0.00 C ATOM 1612 CG ARG A 100 0.297 2.927 -0.818 1.00 0.00 C ATOM 1613 CD ARG A 100 1.225 3.188 0.370 1.00 0.00 C ATOM 1614 NE ARG A 100 2.573 2.645 0.088 1.00 0.00 N ATOM 1615 CZ ARG A 100 3.693 3.065 0.691 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.634 4.035 1.613 1.00 0.00 N ATOM 1617 NH2 ARG A 100 4.872 2.514 0.372 1.00 0.00 N ATOM 0 H ARG A 100 1.569 4.541 -4.259 1.00 0.00 H new ATOM 0 HA ARG A 100 0.872 1.967 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.746 4.071 -1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.108 4.680 -2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.731 3.159 -0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.325 1.869 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.288 4.259 0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.818 2.725 1.269 1.00 0.00 H new ATOM 0 HE ARG A 100 2.654 1.905 -0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.736 4.454 1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.487 4.355 2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.916 1.775 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.725 2.834 0.831 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.460 4.120 -4.118 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.857 4.247 -4.498 1.00 0.00 C ATOM 1633 C ARG A 101 -3.322 2.993 -5.240 1.00 0.00 C ATOM 1634 O ARG A 101 -4.176 2.257 -4.749 1.00 0.00 O ATOM 1635 CB ARG A 101 -3.076 5.470 -5.391 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.537 5.572 -5.833 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.722 6.689 -6.862 1.00 0.00 C ATOM 1638 NE ARG A 101 -4.343 6.204 -8.208 1.00 0.00 N ATOM 1639 CZ ARG A 101 -3.962 7.003 -9.214 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -3.906 8.329 -9.033 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -3.636 6.475 -10.402 1.00 0.00 N ATOM 0 H ARG A 101 -0.914 4.977 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.439 4.369 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.792 6.374 -4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.431 5.405 -6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.858 4.622 -6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.170 5.762 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.759 7.023 -6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.111 7.550 -6.591 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.374 5.199 -8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.153 8.731 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.616 8.937 -9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.678 5.465 -10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.346 7.083 -11.168 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.738 2.787 -6.412 1.00 0.00 N ATOM 1656 CA GLN A 102 -3.082 1.634 -7.227 1.00 0.00 C ATOM 1657 C GLN A 102 -2.695 0.341 -6.507 1.00 0.00 C ATOM 1658 O GLN A 102 -3.497 -0.588 -6.417 1.00 0.00 O ATOM 1659 CB GLN A 102 -2.416 1.716 -8.602 1.00 0.00 C ATOM 1660 CG GLN A 102 -3.139 2.720 -9.502 1.00 0.00 C ATOM 1661 CD GLN A 102 -2.362 2.952 -10.800 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -2.323 2.117 -11.688 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -1.747 4.130 -10.858 1.00 0.00 N ATOM 0 H GLN A 102 -2.029 3.399 -6.816 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.161 1.632 -7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.373 2.010 -8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.420 0.732 -9.071 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.139 2.352 -9.733 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.261 3.665 -8.973 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.821 4.783 -10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.201 4.380 -11.683 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.466 0.321 -6.012 1.00 0.00 N ATOM 1673 CA GLY A 103 -0.963 -0.843 -5.303 1.00 0.00 C ATOM 1674 C GLY A 103 -2.054 -1.467 -4.431 1.00 0.00 C ATOM 1675 O GLY A 103 -2.388 -2.640 -4.593 1.00 0.00 O ATOM 0 H GLY A 103 -0.804 1.093 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.599 -1.580 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.115 -0.556 -4.681 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.580 -0.656 -3.525 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.627 -1.114 -2.628 1.00 0.00 C ATOM 1681 C LEU A 104 -4.829 -1.584 -3.450 1.00 0.00 C ATOM 1682 O LEU A 104 -5.262 -2.728 -3.326 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.968 -0.030 -1.604 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.889 0.273 -0.563 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -3.203 1.566 0.192 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.695 -0.911 0.386 1.00 0.00 C ATOM 0 H LEU A 104 -2.300 0.316 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.283 -1.971 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.195 0.891 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.877 -0.326 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.944 0.426 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.420 1.758 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.251 2.396 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.161 1.466 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.923 -0.669 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.631 -1.119 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.393 -1.789 -0.185 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.334 -0.676 -4.272 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.477 -0.982 -5.115 1.00 0.00 C ATOM 1700 C GLU A 105 -6.307 -2.360 -5.760 1.00 0.00 C ATOM 1701 O GLU A 105 -7.225 -3.178 -5.735 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.680 0.099 -6.178 1.00 0.00 C ATOM 1703 CG GLU A 105 -8.151 0.194 -6.590 1.00 0.00 C ATOM 1704 CD GLU A 105 -8.292 0.247 -8.112 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.367 0.796 -8.749 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -9.321 -0.263 -8.605 1.00 0.00 O ATOM 0 H GLU A 105 -4.972 0.272 -4.372 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.370 -1.002 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.344 1.061 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.068 -0.125 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.698 -0.665 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.599 1.084 -6.149 1.00 0.00 H new ATOM 1713 N GLN A 106 -5.126 -2.573 -6.321 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.824 -3.837 -6.971 1.00 0.00 C ATOM 1715 C GLN A 106 -4.894 -4.984 -5.960 1.00 0.00 C ATOM 1716 O GLN A 106 -5.589 -5.974 -6.186 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.455 -3.790 -7.652 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.599 -3.545 -9.156 1.00 0.00 C ATOM 1719 CD GLN A 106 -2.658 -4.451 -9.952 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -1.725 -5.035 -9.426 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -2.955 -4.535 -11.246 1.00 0.00 N ATOM 0 H GLN A 106 -4.367 -1.892 -6.339 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.572 -4.013 -7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.851 -2.999 -7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.928 -4.729 -7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.629 -3.728 -9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.381 -2.501 -9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.751 -4.019 -11.621 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.387 -5.115 -11.863 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.165 -4.812 -4.867 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.136 -5.820 -3.821 1.00 0.00 C ATOM 1732 C PHE A 107 -5.553 -6.247 -3.431 1.00 0.00 C ATOM 1733 O PHE A 107 -5.888 -7.429 -3.492 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.455 -5.185 -2.607 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.857 -5.811 -1.270 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.940 -5.338 -0.597 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -3.132 -6.839 -0.755 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.314 -5.918 0.644 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.506 -7.420 0.486 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.589 -6.947 1.159 1.00 0.00 C ATOM 0 H PHE A 107 -3.590 -3.990 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.603 -6.704 -4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.375 -5.268 -2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.693 -4.122 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.516 -4.521 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.272 -7.214 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.174 -5.542 1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.930 -8.237 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.873 -7.389 2.103 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.346 -5.261 -3.039 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.719 -5.519 -2.639 1.00 0.00 C ATOM 1752 C ILE A 108 -8.490 -6.103 -3.825 1.00 0.00 C ATOM 1753 O ILE A 108 -9.148 -7.134 -3.695 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.354 -4.256 -2.055 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.670 -4.581 -1.346 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.533 -3.184 -3.132 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.416 -5.092 0.074 1.00 0.00 C ATOM 0 H ILE A 108 -6.064 -4.282 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.750 -6.261 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.676 -3.849 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.297 -3.690 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.218 -5.333 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.986 -2.297 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.561 -2.924 -3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.179 -3.566 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.368 -5.316 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.809 -5.996 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.890 -4.328 0.647 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.382 -5.419 -4.954 1.00 0.00 N ATOM 1770 CA ASN A 109 -9.061 -5.857 -6.162 1.00 0.00 C ATOM 1771 C ASN A 109 -8.916 -7.373 -6.303 1.00 0.00 C ATOM 1772 O ASN A 109 -9.851 -8.054 -6.720 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.450 -5.206 -7.404 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.331 -4.064 -7.916 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -10.058 -4.194 -8.887 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -9.226 -2.942 -7.210 1.00 0.00 N ATOM 0 H ASN A 109 -7.835 -4.565 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.109 -5.569 -6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.456 -4.825 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.327 -5.954 -8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.774 -2.122 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.598 -2.901 -6.408 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.735 -7.858 -5.946 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.455 -9.281 -6.027 1.00 0.00 C ATOM 1785 C LYS A 110 -7.902 -9.959 -4.731 1.00 0.00 C ATOM 1786 O LYS A 110 -8.481 -11.044 -4.761 1.00 0.00 O ATOM 1787 CB LYS A 110 -5.982 -9.519 -6.369 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.823 -9.977 -7.820 1.00 0.00 C ATOM 1789 CD LYS A 110 -5.018 -11.275 -7.900 1.00 0.00 C ATOM 1790 CE LYS A 110 -3.518 -10.999 -7.774 1.00 0.00 C ATOM 1791 NZ LYS A 110 -2.750 -11.884 -8.677 1.00 0.00 N ATOM 0 H LYS A 110 -6.962 -7.290 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.024 -9.735 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.415 -8.602 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.566 -10.271 -5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.806 -10.126 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.324 -9.199 -8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.334 -11.953 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.221 -11.775 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.313 -9.956 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.199 -11.156 -6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.734 -11.683 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.932 -12.877 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.043 -11.715 -9.661 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.617 -9.292 -3.622 1.00 0.00 N ATOM 1806 CA ILE A 111 -7.983 -9.817 -2.318 1.00 0.00 C ATOM 1807 C ILE A 111 -9.485 -10.105 -2.292 1.00 0.00 C ATOM 1808 O ILE A 111 -9.906 -11.194 -1.904 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.520 -8.869 -1.210 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.705 -9.617 -0.153 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.705 -8.121 -0.597 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.607 -10.128 0.973 1.00 0.00 C ATOM 0 H ILE A 111 -7.137 -8.392 -3.600 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.473 -10.762 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.863 -8.121 -1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.184 -10.455 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.942 -8.956 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.348 -7.454 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.206 -7.537 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.407 -8.838 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.004 -10.656 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.107 -9.285 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.353 -10.808 0.561 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.254 -9.110 -2.710 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.700 -9.243 -2.740 1.00 0.00 C ATOM 1826 C ALA A 112 -12.074 -10.537 -3.464 1.00 0.00 C ATOM 1827 O ALA A 112 -12.807 -11.365 -2.925 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.313 -8.007 -3.400 1.00 0.00 C ATOM 0 H ALA A 112 -9.902 -8.208 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.101 -9.304 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.398 -8.107 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.042 -7.118 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.936 -7.914 -4.419 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.554 -10.672 -4.675 1.00 0.00 N ATOM 1835 CA GLY A 113 -11.824 -11.852 -5.479 1.00 0.00 C ATOM 1836 C GLY A 113 -11.773 -13.120 -4.625 1.00 0.00 C ATOM 1837 O GLY A 113 -12.563 -14.041 -4.829 1.00 0.00 O ATOM 0 H GLY A 113 -10.947 -9.983 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.805 -11.762 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.094 -11.922 -6.285 1.00 0.00 H new ATOM 1841 N HIS A 114 -10.837 -13.127 -3.688 1.00 0.00 N ATOM 1842 CA HIS A 114 -10.674 -14.268 -2.803 1.00 0.00 C ATOM 1843 C HIS A 114 -12.003 -14.575 -2.110 1.00 0.00 C ATOM 1844 O HIS A 114 -12.656 -13.674 -1.585 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.531 -14.028 -1.813 1.00 0.00 C ATOM 1846 CG HIS A 114 -8.782 -15.280 -1.426 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.172 -16.094 -0.376 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -7.662 -15.850 -1.958 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.319 -17.103 -0.290 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.384 -16.951 -1.271 1.00 0.00 N ATOM 0 H HIS A 114 -10.184 -12.361 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.396 -15.147 -3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -8.829 -13.317 -2.249 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.935 -13.565 -0.912 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -9.979 -15.942 0.229 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.097 -15.470 -2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.357 -17.906 0.431 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.374 -15.883 -2.132 1.00 0.00 N ATOM 1859 CA PRO A 115 -13.613 -16.320 -1.513 1.00 0.00 C ATOM 1860 C PRO A 115 -13.485 -16.347 0.011 1.00 0.00 C ATOM 1861 O PRO A 115 -14.355 -15.842 0.720 1.00 0.00 O ATOM 1862 CB PRO A 115 -13.889 -17.691 -2.110 1.00 0.00 C ATOM 1863 CG PRO A 115 -12.566 -18.169 -2.684 1.00 0.00 C ATOM 1864 CD PRO A 115 -11.626 -16.977 -2.745 1.00 0.00 C ATOM 0 HA PRO A 115 -14.443 -15.641 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.257 -18.381 -1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.653 -17.633 -2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.143 -18.957 -2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.712 -18.591 -3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.700 -17.175 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.351 -16.742 -3.773 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.394 -16.940 0.471 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.140 -17.039 1.899 1.00 0.00 C ATOM 1874 C LEU A 116 -12.236 -15.648 2.527 1.00 0.00 C ATOM 1875 O LEU A 116 -12.718 -15.501 3.649 1.00 0.00 O ATOM 1876 CB LEU A 116 -10.806 -17.741 2.159 1.00 0.00 C ATOM 1877 CG LEU A 116 -10.568 -19.039 1.384 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -9.527 -19.913 2.086 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -11.882 -19.787 1.152 1.00 0.00 C ATOM 0 H LEU A 116 -11.675 -17.357 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.898 -17.659 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.000 -17.046 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.735 -17.959 3.225 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.166 -18.783 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.376 -20.829 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.584 -19.370 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.878 -20.163 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.685 -20.706 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.336 -20.032 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.563 -19.158 0.579 1.00 0.00 H new ATOM 1891 N ALA A 117 -11.771 -14.661 1.776 1.00 0.00 N ATOM 1892 CA ALA A 117 -11.798 -13.286 2.245 1.00 0.00 C ATOM 1893 C ALA A 117 -13.236 -12.766 2.205 1.00 0.00 C ATOM 1894 O ALA A 117 -13.701 -12.141 3.157 1.00 0.00 O ATOM 1895 CB ALA A 117 -10.848 -12.438 1.397 1.00 0.00 C ATOM 0 H ALA A 117 -11.373 -14.786 0.845 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.454 -13.226 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -10.868 -11.407 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.835 -12.831 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.163 -12.472 0.354 1.00 0.00 H new ATOM 1901 N GLN A 118 -13.902 -13.045 1.093 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.278 -12.613 0.917 1.00 0.00 C ATOM 1903 C GLN A 118 -16.128 -13.048 2.113 1.00 0.00 C ATOM 1904 O GLN A 118 -17.184 -12.472 2.370 1.00 0.00 O ATOM 1905 CB GLN A 118 -15.858 -13.152 -0.392 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.434 -12.283 -1.578 1.00 0.00 C ATOM 1907 CD GLN A 118 -15.980 -12.845 -2.892 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -16.898 -13.647 -2.920 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.365 -12.380 -3.976 1.00 0.00 N ATOM 0 H GLN A 118 -13.514 -13.565 0.306 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.293 -11.524 0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.521 -14.177 -0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -16.946 -13.180 -0.328 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -15.796 -11.265 -1.435 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.346 -12.231 -1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.602 -11.709 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.656 -12.694 -4.902 1.00 0.00 H new ATOM 1918 N ASN A 119 -15.635 -14.060 2.811 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.336 -14.578 3.974 1.00 0.00 C ATOM 1920 C ASN A 119 -15.830 -13.866 5.229 1.00 0.00 C ATOM 1921 O ASN A 119 -16.595 -13.620 6.160 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.084 -16.077 4.146 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.306 -16.892 3.719 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -18.273 -16.375 3.185 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -17.209 -18.192 3.983 1.00 0.00 N ATOM 0 H ASN A 119 -14.759 -14.535 2.594 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.403 -14.406 3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.219 -16.374 3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.845 -16.292 5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -17.973 -18.821 3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -16.371 -18.560 4.432 1.00 0.00 H new ATOM 1932 N GLU A 120 -14.542 -13.555 5.215 1.00 0.00 N ATOM 1933 CA GLU A 120 -13.924 -12.875 6.341 1.00 0.00 C ATOM 1934 C GLU A 120 -14.727 -11.627 6.714 1.00 0.00 C ATOM 1935 O GLU A 120 -15.238 -10.929 5.839 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.468 -12.519 6.034 1.00 0.00 C ATOM 1937 CG GLU A 120 -11.554 -13.731 6.229 1.00 0.00 C ATOM 1938 CD GLU A 120 -11.712 -14.316 7.634 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.326 -13.610 8.590 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -12.217 -15.457 7.719 1.00 0.00 O ATOM 0 H GLU A 120 -13.909 -13.761 4.442 1.00 0.00 H new ATOM 0 HA GLU A 120 -13.926 -13.552 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.386 -12.159 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.144 -11.706 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -11.790 -14.492 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -10.517 -13.438 6.067 1.00 0.00 H new ATOM 1947 N ARG A 121 -14.812 -11.384 8.013 1.00 0.00 N ATOM 1948 CA ARG A 121 -15.544 -10.233 8.513 1.00 0.00 C ATOM 1949 C ARG A 121 -14.662 -8.983 8.469 1.00 0.00 C ATOM 1950 O ARG A 121 -15.103 -7.923 8.027 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.020 -10.463 9.949 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.325 -9.712 10.221 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.496 -10.361 9.480 1.00 0.00 C ATOM 1954 NE ARG A 121 -19.501 -9.335 9.124 1.00 0.00 N ATOM 1955 CZ ARG A 121 -20.436 -9.496 8.178 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -20.500 -10.642 7.487 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -21.307 -8.510 7.922 1.00 0.00 N ATOM 0 H ARG A 121 -14.386 -11.965 8.735 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.415 -10.091 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.167 -11.529 10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -15.252 -10.131 10.648 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.527 -9.704 11.292 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.223 -8.673 9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.136 -10.858 8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.953 -11.128 10.106 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.481 -8.450 9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -19.837 -11.392 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.212 -10.764 6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.258 -7.637 8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.019 -8.633 7.202 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.432 -9.150 8.933 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.485 -8.049 8.953 1.00 0.00 C ATOM 1973 C CYS A 122 -12.575 -7.314 7.614 1.00 0.00 C ATOM 1974 O CYS A 122 -12.542 -6.085 7.572 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.062 -8.531 9.244 1.00 0.00 C ATOM 1976 SG CYS A 122 -10.436 -9.520 7.837 1.00 0.00 S ATOM 0 H CYS A 122 -13.070 -10.031 9.298 1.00 0.00 H new ATOM 0 HA CYS A 122 -12.738 -7.363 9.761 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.408 -7.676 9.418 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -11.051 -9.131 10.154 1.00 0.00 H new ATOM 0 HG CYS A 122 -9.138 -9.564 7.881 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.687 -8.097 6.551 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.782 -7.536 5.214 1.00 0.00 C ATOM 1984 C LEU A 123 -14.048 -6.684 5.112 1.00 0.00 C ATOM 1985 O LEU A 123 -13.983 -5.508 4.758 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.698 -8.643 4.161 1.00 0.00 C ATOM 1987 CG LEU A 123 -12.963 -8.216 2.716 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.659 -7.851 2.005 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.746 -9.292 1.961 1.00 0.00 C ATOM 0 H LEU A 123 -12.714 -9.116 6.589 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.937 -6.876 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.705 -9.090 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.412 -9.423 4.425 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.583 -7.319 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.875 -7.551 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.177 -7.027 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.994 -8.715 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.921 -8.963 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.173 -10.219 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.702 -9.461 2.456 1.00 0.00 H new ATOM 2001 N HIS A 124 -15.172 -7.312 5.428 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.452 -6.626 5.376 1.00 0.00 C ATOM 2003 C HIS A 124 -16.331 -5.261 6.057 1.00 0.00 C ATOM 2004 O HIS A 124 -16.908 -4.279 5.594 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.558 -7.494 5.979 1.00 0.00 C ATOM 2006 CG HIS A 124 -17.975 -8.652 5.105 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -17.862 -9.998 5.295 1.00 0.00 N flip ATOM 2008 CD2 HIS A 124 -18.587 -8.482 3.876 1.00 0.00 C flip ATOM 2009 CE1 HIS A 124 -18.378 -10.616 4.240 1.00 0.00 C flip ATOM 2010 NE2 HIS A 124 -18.827 -9.677 3.358 1.00 0.00 N flip ATOM 0 H HIS A 124 -15.222 -8.288 5.721 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.733 -6.451 4.338 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.219 -7.881 6.940 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.429 -6.869 6.177 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -17.451 -10.453 6.110 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -18.828 -7.535 3.417 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -18.433 -11.686 4.102 1.00 0.00 H new ATOM 2018 N MET A 125 -15.577 -5.244 7.146 1.00 0.00 N ATOM 2019 CA MET A 125 -15.373 -4.016 7.896 1.00 0.00 C ATOM 2020 C MET A 125 -14.546 -3.013 7.090 1.00 0.00 C ATOM 2021 O MET A 125 -14.967 -1.874 6.891 1.00 0.00 O ATOM 2022 CB MET A 125 -14.653 -4.333 9.209 1.00 0.00 C ATOM 2023 CG MET A 125 -15.276 -3.562 10.375 1.00 0.00 C ATOM 2024 SD MET A 125 -13.993 -2.932 11.444 1.00 0.00 S ATOM 2025 CE MET A 125 -13.415 -4.458 12.168 1.00 0.00 C ATOM 0 H MET A 125 -15.100 -6.061 7.527 1.00 0.00 H new ATOM 0 HA MET A 125 -16.347 -3.573 8.103 1.00 0.00 H new ATOM 0 HB2 MET A 125 -14.705 -5.404 9.407 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.597 -4.076 9.121 1.00 0.00 H new ATOM 0 HG2 MET A 125 -15.881 -2.739 9.995 1.00 0.00 H new ATOM 0 HG3 MET A 125 -15.943 -4.215 10.939 1.00 0.00 H new ATOM 0 HE1 MET A 125 -13.275 -4.322 13.240 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.150 -5.244 11.995 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.467 -4.741 11.711 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.385 -3.471 6.647 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.495 -2.628 5.867 1.00 0.00 C ATOM 2037 C PHE A 126 -13.278 -1.805 4.842 1.00 0.00 C ATOM 2038 O PHE A 126 -12.846 -0.723 4.448 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.531 -3.558 5.128 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.307 -2.849 4.544 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.217 -2.621 5.324 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.310 -2.447 3.245 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.081 -1.963 4.782 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.174 -1.789 2.703 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.084 -1.561 3.483 1.00 0.00 C ATOM 0 H PHE A 126 -13.039 -4.416 6.813 1.00 0.00 H new ATOM 0 HA PHE A 126 -11.969 -1.935 6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.195 -4.335 5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -12.069 -4.056 4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.215 -2.940 6.356 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.176 -2.628 2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.215 -1.782 5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.176 -1.470 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.220 -1.060 3.071 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.417 -2.350 4.439 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.265 -1.680 3.468 1.00 0.00 C ATOM 2057 C LEU A 127 -16.601 -1.324 4.123 1.00 0.00 C ATOM 2058 O LEU A 127 -17.005 -1.954 5.099 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.407 -2.531 2.204 1.00 0.00 C ATOM 2060 CG LEU A 127 -14.123 -3.184 1.687 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.434 -4.472 0.922 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.307 -2.200 0.847 1.00 0.00 C ATOM 0 H LEU A 127 -14.772 -3.248 4.768 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.809 -0.744 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.137 -3.316 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.817 -1.904 1.412 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.509 -3.459 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.505 -4.917 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.942 -5.174 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.077 -4.244 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.400 -2.689 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.900 -1.872 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -13.039 -1.337 1.456 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.249 -0.315 3.559 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.531 0.132 4.076 1.00 0.00 C ATOM 2076 C GLN A 128 -18.334 0.925 5.370 1.00 0.00 C ATOM 2077 O GLN A 128 -18.775 2.069 5.475 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.477 -1.050 4.297 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.488 -1.977 3.080 1.00 0.00 C ATOM 2080 CD GLN A 128 -19.940 -3.386 3.468 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.006 -3.746 4.632 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.248 -4.161 2.431 1.00 0.00 N ATOM 0 H GLN A 128 -16.910 0.205 2.750 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.989 0.788 3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.168 -1.608 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.485 -0.683 4.488 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -20.155 -1.574 2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.491 -2.019 2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.171 -3.797 1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -20.562 -5.119 2.586 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.671 0.287 6.323 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.410 0.918 7.605 1.00 0.00 C ATOM 2093 C GLU A 129 -16.310 1.972 7.464 1.00 0.00 C ATOM 2094 O GLU A 129 -15.299 1.734 6.806 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.040 -0.123 8.664 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.293 -0.717 9.311 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.332 -0.413 10.810 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -18.228 0.786 11.149 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -18.466 -1.386 11.583 1.00 0.00 O ATOM 0 H GLU A 129 -17.306 -0.661 6.233 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.322 1.415 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.451 -0.918 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.415 0.338 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.183 -0.310 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.311 -1.796 9.154 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.545 3.114 8.093 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.586 4.205 8.046 1.00 0.00 C ATOM 2108 C GLU A 130 -14.349 3.861 8.877 1.00 0.00 C ATOM 2109 O GLU A 130 -13.289 3.567 8.327 1.00 0.00 O ATOM 2110 CB GLU A 130 -16.221 5.513 8.523 1.00 0.00 C ATOM 2111 CG GLU A 130 -15.152 6.575 8.790 1.00 0.00 C ATOM 2112 CD GLU A 130 -14.472 7.008 7.489 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -15.185 7.050 6.463 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -13.256 7.288 7.551 1.00 0.00 O ATOM 0 H GLU A 130 -17.385 3.308 8.638 1.00 0.00 H new ATOM 0 HA GLU A 130 -15.276 4.346 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -16.921 5.877 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -16.795 5.333 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -15.606 7.440 9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -14.407 6.180 9.480 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.525 3.909 10.190 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.436 3.605 11.102 1.00 0.00 C ATOM 2123 C ALA A 131 -13.522 2.137 11.523 1.00 0.00 C ATOM 2124 O ALA A 131 -14.610 1.624 11.781 1.00 0.00 O ATOM 2125 CB ALA A 131 -13.491 4.558 12.298 1.00 0.00 C ATOM 0 H ALA A 131 -15.405 4.154 10.643 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.474 3.751 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.674 4.330 12.983 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -13.396 5.586 11.949 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.443 4.437 12.816 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.361 1.501 11.578 1.00 0.00 N ATOM 2132 CA ILE A 132 -12.291 0.101 11.962 1.00 0.00 C ATOM 2133 C ILE A 132 -12.163 0.001 13.483 1.00 0.00 C ATOM 2134 O ILE A 132 -11.436 0.777 14.101 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.169 -0.608 11.202 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -11.613 -0.972 9.783 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -10.668 -1.828 11.977 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.412 -1.347 8.913 1.00 0.00 C ATOM 0 H ILE A 132 -11.461 1.930 11.363 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.209 -0.417 11.684 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.330 0.081 11.110 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.314 -1.806 9.820 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.142 -0.130 9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -9.871 -2.314 11.415 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.286 -1.511 12.948 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -11.489 -2.530 12.122 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.755 -1.601 7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.725 -0.503 8.858 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -9.900 -2.204 9.350 1.00 0.00 H new ATOM 2150 N ASP A 133 -12.880 -0.962 14.043 1.00 0.00 N ATOM 2151 CA ASP A 133 -12.856 -1.175 15.480 1.00 0.00 C ATOM 2152 C ASP A 133 -11.875 -2.303 15.808 1.00 0.00 C ATOM 2153 O ASP A 133 -11.973 -3.396 15.253 1.00 0.00 O ATOM 2154 CB ASP A 133 -14.235 -1.582 16.001 1.00 0.00 C ATOM 2155 CG ASP A 133 -15.330 -0.527 15.826 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -15.886 -0.466 14.708 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -15.585 0.195 16.814 1.00 0.00 O ATOM 0 H ASP A 133 -13.482 -1.604 13.527 1.00 0.00 H new ATOM 0 HA ASP A 133 -12.554 -0.241 15.953 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.545 -2.494 15.490 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.150 -1.823 17.061 1.00 0.00 H new ATOM 2162 N ARG A 134 -10.953 -1.998 16.709 1.00 0.00 N ATOM 2163 CA ARG A 134 -9.955 -2.973 17.117 1.00 0.00 C ATOM 2164 C ARG A 134 -10.449 -3.761 18.333 1.00 0.00 C ATOM 2165 O ARG A 134 -9.647 -4.277 19.109 1.00 0.00 O ATOM 2166 CB ARG A 134 -8.629 -2.292 17.464 1.00 0.00 C ATOM 2167 CG ARG A 134 -7.992 -1.669 16.221 1.00 0.00 C ATOM 2168 CD ARG A 134 -6.465 -1.746 16.290 1.00 0.00 C ATOM 2169 NE ARG A 134 -5.907 -0.423 16.646 1.00 0.00 N ATOM 2170 CZ ARG A 134 -5.793 0.031 17.902 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -6.197 -0.729 18.928 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -5.274 1.245 18.131 1.00 0.00 N ATOM 0 H ARG A 134 -10.876 -1.090 17.168 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.794 -3.652 16.280 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.798 -1.521 18.216 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -7.946 -3.020 17.901 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -8.346 -2.186 15.329 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.304 -0.628 16.131 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.163 -2.488 17.029 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.065 -2.072 15.330 1.00 0.00 H new ATOM 0 HE ARG A 134 -5.589 0.181 15.888 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -6.591 -1.653 18.754 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.110 -0.384 19.884 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -4.966 1.824 17.350 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.187 1.591 19.087 1.00 0.00 H new