USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 60 TYR OH : rot 130:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.36) USER MOD Set 2.1: A 28 MET CE :methyl -179:sc= 0 (180deg=-0.00206) USER MOD Set 2.2: A 75 HIS : no HE2:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 7 THR OG1 : rot -29:sc= 0.42 USER MOD Single : A 8 ASN : amide:sc= 0.559 K(o=0.56,f=-1.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00586 USER MOD Single : A 13 HIS : no HE2:sc= 0.958 K(o=0.96,f=-2.9!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.0821 USER MOD Single : A 33 ASN : amide:sc= 1.06 K(o=1.1,f=-5.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -94:sc= 0.0848 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=-0.43) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.1) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.0444 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.808 10.197 -1.736 1.00 0.00 N ATOM 102 CA THR A 7 6.508 10.297 -3.161 1.00 0.00 C ATOM 103 C THR A 7 5.662 9.142 -3.709 1.00 0.00 C ATOM 104 O THR A 7 5.765 8.002 -3.252 1.00 0.00 O ATOM 105 CB THR A 7 7.839 10.397 -3.937 1.00 0.00 C ATOM 106 OG1 THR A 7 8.818 9.512 -3.411 1.00 0.00 O ATOM 107 CG2 THR A 7 8.457 11.798 -3.886 1.00 0.00 C ATOM 0 HA THR A 7 5.899 11.191 -3.298 1.00 0.00 H new ATOM 0 HB THR A 7 7.578 10.140 -4.964 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.655 9.376 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.390 11.805 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.764 12.517 -4.323 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.657 12.070 -2.850 1.00 0.00 H new ATOM 115 N ASN A 8 4.840 9.459 -4.712 1.00 0.00 N ATOM 116 CA ASN A 8 4.123 8.500 -5.560 1.00 0.00 C ATOM 117 C ASN A 8 4.796 8.619 -6.916 1.00 0.00 C ATOM 118 O ASN A 8 4.939 9.745 -7.402 1.00 0.00 O ATOM 119 CB ASN A 8 2.627 8.820 -5.715 1.00 0.00 C ATOM 120 CG ASN A 8 1.811 8.668 -4.442 1.00 0.00 C ATOM 121 OD1 ASN A 8 1.190 9.621 -3.988 1.00 0.00 O ATOM 122 ND2 ASN A 8 1.779 7.487 -3.847 1.00 0.00 N ATOM 0 H ASN A 8 4.647 10.428 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 8 4.166 7.504 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.524 9.843 -6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.207 8.167 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.231 7.359 -2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.302 6.704 -4.239 1.00 0.00 H new ATOM 129 N THR A 9 5.185 7.501 -7.530 1.00 0.00 N ATOM 130 CA THR A 9 5.850 7.511 -8.826 1.00 0.00 C ATOM 131 C THR A 9 5.038 6.690 -9.824 1.00 0.00 C ATOM 132 O THR A 9 4.504 5.627 -9.500 1.00 0.00 O ATOM 133 CB THR A 9 7.319 7.055 -8.713 1.00 0.00 C ATOM 134 OG1 THR A 9 7.997 7.874 -7.776 1.00 0.00 O ATOM 135 CG2 THR A 9 8.060 7.049 -10.064 1.00 0.00 C ATOM 0 H THR A 9 5.047 6.568 -7.142 1.00 0.00 H new ATOM 0 HA THR A 9 5.894 8.533 -9.202 1.00 0.00 H new ATOM 0 HB THR A 9 7.311 6.021 -8.369 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.930 7.584 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.088 6.719 -9.914 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.557 6.369 -10.752 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.060 8.055 -10.483 1.00 0.00 H new ATOM 143 N TRP A 10 5.009 7.176 -11.059 1.00 0.00 N ATOM 144 CA TRP A 10 4.396 6.554 -12.215 1.00 0.00 C ATOM 145 C TRP A 10 5.382 6.690 -13.367 1.00 0.00 C ATOM 146 O TRP A 10 6.253 7.558 -13.337 1.00 0.00 O ATOM 147 CB TRP A 10 3.072 7.274 -12.512 1.00 0.00 C ATOM 148 CG TRP A 10 2.077 7.223 -11.394 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.216 6.214 -11.161 1.00 0.00 C ATOM 150 CD2 TRP A 10 1.803 8.207 -10.357 1.00 0.00 C ATOM 151 NE1 TRP A 10 0.444 6.489 -10.052 1.00 0.00 N ATOM 152 CE2 TRP A 10 0.738 7.734 -9.538 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.318 9.484 -10.067 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.196 8.501 -8.496 1.00 0.00 C ATOM 155 CZ3 TRP A 10 1.759 10.280 -9.050 1.00 0.00 C ATOM 156 CH2 TRP A 10 0.694 9.796 -8.268 1.00 0.00 C ATOM 0 H TRP A 10 5.441 8.071 -11.289 1.00 0.00 H new ATOM 0 HA TRP A 10 4.173 5.500 -12.053 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.284 8.317 -12.746 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.624 6.832 -13.402 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.141 5.317 -11.758 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.253 5.854 -9.663 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.157 9.860 -10.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.594 8.102 -7.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.150 11.270 -8.868 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.261 10.416 -7.497 1.00 0.00 H new ATOM 167 N VAL A 11 5.252 5.859 -14.393 1.00 0.00 N ATOM 168 CA VAL A 11 5.975 6.019 -15.645 1.00 0.00 C ATOM 169 C VAL A 11 4.984 5.997 -16.806 1.00 0.00 C ATOM 170 O VAL A 11 4.012 5.238 -16.782 1.00 0.00 O ATOM 171 CB VAL A 11 7.137 5.011 -15.745 1.00 0.00 C ATOM 172 CG1 VAL A 11 6.671 3.548 -15.768 1.00 0.00 C ATOM 173 CG2 VAL A 11 8.039 5.314 -16.957 1.00 0.00 C ATOM 0 H VAL A 11 4.635 5.047 -14.378 1.00 0.00 H new ATOM 0 HA VAL A 11 6.465 6.991 -15.689 1.00 0.00 H new ATOM 0 HB VAL A 11 7.721 5.137 -14.833 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.538 2.891 -15.839 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.122 3.326 -14.853 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.022 3.386 -16.628 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.849 4.585 -16.999 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.450 5.256 -17.872 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.457 6.316 -16.858 1.00 0.00 H new ATOM 183 N LEU A 12 5.225 6.842 -17.810 1.00 0.00 N ATOM 184 CA LEU A 12 4.416 6.964 -19.010 1.00 0.00 C ATOM 185 C LEU A 12 5.328 6.914 -20.228 1.00 0.00 C ATOM 186 O LEU A 12 6.346 7.601 -20.232 1.00 0.00 O ATOM 187 CB LEU A 12 3.652 8.306 -18.954 1.00 0.00 C ATOM 188 CG LEU A 12 2.157 8.179 -19.261 1.00 0.00 C ATOM 189 CD1 LEU A 12 1.885 7.522 -20.615 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.468 7.398 -18.137 1.00 0.00 C ATOM 0 H LEU A 12 6.020 7.481 -17.803 1.00 0.00 H new ATOM 0 HA LEU A 12 3.697 6.147 -19.078 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.774 8.742 -17.962 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.102 8.999 -19.665 1.00 0.00 H new ATOM 0 HG LEU A 12 1.747 9.187 -19.318 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.809 7.458 -20.779 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.338 8.119 -21.407 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.314 6.520 -20.626 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.404 7.308 -18.356 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.909 6.404 -18.062 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.601 7.926 -17.193 1.00 0.00 H new ATOM 202 N HIS A 13 4.978 6.141 -21.254 1.00 0.00 N ATOM 203 CA HIS A 13 5.710 6.088 -22.506 1.00 0.00 C ATOM 204 C HIS A 13 4.974 6.921 -23.557 1.00 0.00 C ATOM 205 O HIS A 13 3.764 6.747 -23.733 1.00 0.00 O ATOM 206 CB HIS A 13 5.877 4.628 -22.955 1.00 0.00 C ATOM 207 CG HIS A 13 6.484 4.464 -24.329 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.608 5.094 -24.819 1.00 0.00 N ATOM 209 CD2 HIS A 13 5.999 3.672 -25.336 1.00 0.00 C ATOM 210 CE1 HIS A 13 7.790 4.693 -26.089 1.00 0.00 C ATOM 211 NE2 HIS A 13 6.833 3.818 -26.454 1.00 0.00 N ATOM 0 H HIS A 13 4.164 5.526 -21.233 1.00 0.00 H new ATOM 0 HA HIS A 13 6.707 6.508 -22.373 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.502 4.107 -22.230 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.901 4.142 -22.942 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.198 5.750 -24.307 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.123 3.042 -25.279 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.593 5.027 -26.729 1.00 0.00 H new ATOM 219 N MET A 14 5.701 7.783 -24.274 1.00 0.00 N ATOM 220 CA MET A 14 5.206 8.485 -25.451 1.00 0.00 C ATOM 221 C MET A 14 6.302 8.483 -26.508 1.00 0.00 C ATOM 222 O MET A 14 7.438 8.832 -26.193 1.00 0.00 O ATOM 223 CB MET A 14 4.762 9.934 -25.166 1.00 0.00 C ATOM 224 CG MET A 14 3.634 10.126 -24.147 1.00 0.00 C ATOM 225 SD MET A 14 4.155 10.100 -22.409 1.00 0.00 S ATOM 226 CE MET A 14 2.867 11.142 -21.678 1.00 0.00 C ATOM 0 H MET A 14 6.668 8.013 -24.044 1.00 0.00 H new ATOM 0 HA MET A 14 4.316 7.958 -25.795 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.631 10.493 -24.819 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.448 10.384 -26.108 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.141 11.077 -24.348 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.891 9.343 -24.299 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.037 11.232 -20.605 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.897 12.131 -22.134 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.891 10.691 -21.854 1.00 0.00 H new ATOM 236 N ASP A 15 5.933 8.144 -27.751 1.00 0.00 N ATOM 237 CA ASP A 15 6.721 8.156 -28.997 1.00 0.00 C ATOM 238 C ASP A 15 8.019 7.335 -28.980 1.00 0.00 C ATOM 239 O ASP A 15 8.172 6.394 -29.760 1.00 0.00 O ATOM 240 CB ASP A 15 6.976 9.590 -29.469 1.00 0.00 C ATOM 241 CG ASP A 15 7.761 9.587 -30.792 1.00 0.00 C ATOM 242 OD1 ASP A 15 7.164 9.278 -31.850 1.00 0.00 O ATOM 243 OD2 ASP A 15 8.975 9.905 -30.778 1.00 0.00 O ATOM 0 H ASP A 15 4.982 7.822 -27.929 1.00 0.00 H new ATOM 0 HA ASP A 15 6.092 7.636 -29.720 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.027 10.110 -29.603 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.534 10.136 -28.709 1.00 0.00 H new ATOM 248 N GLY A 16 8.949 7.690 -28.099 1.00 0.00 N ATOM 249 CA GLY A 16 10.287 7.127 -27.983 1.00 0.00 C ATOM 250 C GLY A 16 10.963 7.517 -26.663 1.00 0.00 C ATOM 251 O GLY A 16 12.183 7.373 -26.546 1.00 0.00 O ATOM 0 H GLY A 16 8.778 8.420 -27.408 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.230 6.041 -28.054 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.898 7.470 -28.818 1.00 0.00 H new ATOM 255 N GLU A 17 10.204 8.019 -25.681 1.00 0.00 N ATOM 256 CA GLU A 17 10.671 8.439 -24.374 1.00 0.00 C ATOM 257 C GLU A 17 9.797 7.802 -23.302 1.00 0.00 C ATOM 258 O GLU A 17 8.663 7.391 -23.566 1.00 0.00 O ATOM 259 CB GLU A 17 10.656 9.974 -24.243 1.00 0.00 C ATOM 260 CG GLU A 17 11.845 10.601 -24.978 1.00 0.00 C ATOM 261 CD GLU A 17 11.880 12.133 -24.815 1.00 0.00 C ATOM 262 OE1 GLU A 17 11.284 12.855 -25.653 1.00 0.00 O ATOM 263 OE2 GLU A 17 12.543 12.630 -23.872 1.00 0.00 O ATOM 0 H GLU A 17 9.198 8.146 -25.792 1.00 0.00 H new ATOM 0 HA GLU A 17 11.702 8.111 -24.246 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.724 10.368 -24.649 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.687 10.253 -23.190 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.773 10.174 -24.597 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.790 10.350 -26.037 1.00 0.00 H new ATOM 270 N ASN A 18 10.333 7.731 -22.086 1.00 0.00 N ATOM 271 CA ASN A 18 9.612 7.360 -20.883 1.00 0.00 C ATOM 272 C ASN A 18 9.733 8.529 -19.915 1.00 0.00 C ATOM 273 O ASN A 18 10.831 9.042 -19.684 1.00 0.00 O ATOM 274 CB ASN A 18 10.148 6.054 -20.274 1.00 0.00 C ATOM 275 CG ASN A 18 9.492 4.830 -20.906 1.00 0.00 C ATOM 276 OD1 ASN A 18 8.535 4.281 -20.369 1.00 0.00 O ATOM 277 ND2 ASN A 18 9.969 4.391 -22.061 1.00 0.00 N ATOM 0 H ASN A 18 11.316 7.939 -21.911 1.00 0.00 H new ATOM 0 HA ASN A 18 8.565 7.163 -21.112 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.228 6.002 -20.415 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.966 6.051 -19.199 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.540 3.586 -22.517 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.765 4.858 -22.495 1.00 0.00 H new ATOM 284 N PHE A 19 8.603 8.948 -19.356 1.00 0.00 N ATOM 285 CA PHE A 19 8.505 10.054 -18.424 1.00 0.00 C ATOM 286 C PHE A 19 8.180 9.484 -17.053 1.00 0.00 C ATOM 287 O PHE A 19 7.080 8.972 -16.843 1.00 0.00 O ATOM 288 CB PHE A 19 7.445 11.047 -18.921 1.00 0.00 C ATOM 289 CG PHE A 19 7.800 11.655 -20.264 1.00 0.00 C ATOM 290 CD1 PHE A 19 8.621 12.797 -20.334 1.00 0.00 C ATOM 291 CD2 PHE A 19 7.370 11.035 -21.452 1.00 0.00 C ATOM 292 CE1 PHE A 19 9.005 13.315 -21.583 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.762 11.548 -22.699 1.00 0.00 C ATOM 294 CZ PHE A 19 8.578 12.690 -22.766 1.00 0.00 C ATOM 0 H PHE A 19 7.703 8.509 -19.549 1.00 0.00 H new ATOM 0 HA PHE A 19 9.443 10.605 -18.352 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.484 10.538 -18.999 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.325 11.843 -18.186 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.956 13.276 -19.426 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.736 10.162 -21.404 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.629 14.195 -21.633 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.436 11.064 -23.608 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.876 13.086 -23.725 1.00 0.00 H new ATOM 304 N ARG A 20 9.136 9.527 -16.122 1.00 0.00 N ATOM 305 CA ARG A 20 8.887 9.227 -14.721 1.00 0.00 C ATOM 306 C ARG A 20 8.137 10.440 -14.189 1.00 0.00 C ATOM 307 O ARG A 20 8.668 11.551 -14.234 1.00 0.00 O ATOM 308 CB ARG A 20 10.204 8.988 -13.946 1.00 0.00 C ATOM 309 CG ARG A 20 10.220 7.674 -13.148 1.00 0.00 C ATOM 310 CD ARG A 20 10.455 6.420 -14.001 1.00 0.00 C ATOM 311 NE ARG A 20 11.817 6.386 -14.576 1.00 0.00 N ATOM 312 CZ ARG A 20 12.380 5.361 -15.233 1.00 0.00 C ATOM 313 NH1 ARG A 20 11.729 4.210 -15.390 1.00 0.00 N ATOM 314 NH2 ARG A 20 13.603 5.493 -15.737 1.00 0.00 N ATOM 0 H ARG A 20 10.105 9.772 -16.325 1.00 0.00 H new ATOM 0 HA ARG A 20 8.313 8.308 -14.599 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.035 8.985 -14.651 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.369 9.820 -13.262 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.999 7.734 -12.388 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.270 7.570 -12.623 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.298 5.531 -13.390 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.721 6.387 -14.806 1.00 0.00 H new ATOM 0 HE ARG A 20 12.385 7.226 -14.462 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.790 4.099 -15.008 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.170 3.439 -15.892 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.109 6.371 -15.623 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.035 4.716 -16.237 1.00 0.00 H new ATOM 328 N ILE A 21 6.923 10.244 -13.701 1.00 0.00 N ATOM 329 CA ILE A 21 6.175 11.241 -12.971 1.00 0.00 C ATOM 330 C ILE A 21 6.429 10.916 -11.516 1.00 0.00 C ATOM 331 O ILE A 21 6.244 9.766 -11.127 1.00 0.00 O ATOM 332 CB ILE A 21 4.678 11.167 -13.318 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.434 11.459 -14.811 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.818 12.076 -12.420 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.804 12.867 -15.281 1.00 0.00 C ATOM 0 H ILE A 21 6.422 9.362 -13.807 1.00 0.00 H new ATOM 0 HA ILE A 21 6.481 12.258 -13.218 1.00 0.00 H new ATOM 0 HB ILE A 21 4.361 10.143 -13.120 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.001 10.738 -15.401 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.379 11.289 -15.028 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.771 11.985 -12.708 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.936 11.775 -11.379 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.138 13.111 -12.537 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.592 12.963 -16.346 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.219 13.601 -14.727 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.865 13.042 -15.105 1.00 0.00 H new ATOM 347 N VAL A 22 6.790 11.898 -10.707 1.00 0.00 N ATOM 348 CA VAL A 22 6.899 11.748 -9.279 1.00 0.00 C ATOM 349 C VAL A 22 6.113 12.896 -8.661 1.00 0.00 C ATOM 350 O VAL A 22 6.457 14.059 -8.850 1.00 0.00 O ATOM 351 CB VAL A 22 8.376 11.700 -8.841 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.465 11.391 -7.343 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.192 10.643 -9.600 1.00 0.00 C ATOM 0 H VAL A 22 7.018 12.836 -11.037 1.00 0.00 H new ATOM 0 HA VAL A 22 6.480 10.803 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 22 8.797 12.679 -9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.511 11.358 -7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.948 12.168 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.999 10.426 -7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.223 10.657 -9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.762 9.657 -9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.170 10.864 -10.667 1.00 0.00 H new ATOM 363 N LEU A 23 5.049 12.582 -7.931 1.00 0.00 N ATOM 364 CA LEU A 23 4.343 13.555 -7.110 1.00 0.00 C ATOM 365 C LEU A 23 5.055 13.574 -5.764 1.00 0.00 C ATOM 366 O LEU A 23 5.149 12.528 -5.117 1.00 0.00 O ATOM 367 CB LEU A 23 2.877 13.119 -6.929 1.00 0.00 C ATOM 368 CG LEU A 23 2.144 13.799 -5.744 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.919 15.294 -5.957 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.798 13.130 -5.465 1.00 0.00 C ATOM 0 H LEU A 23 4.652 11.643 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 23 4.342 14.543 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.332 13.334 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.848 12.039 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 23 2.805 13.676 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.402 15.711 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.880 15.793 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.314 15.447 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.309 13.630 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.166 13.201 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.958 12.081 -5.217 1.00 0.00 H new ATOM 382 N GLU A 24 5.537 14.733 -5.332 1.00 0.00 N ATOM 383 CA GLU A 24 6.026 14.955 -3.990 1.00 0.00 C ATOM 384 C GLU A 24 4.800 15.239 -3.129 1.00 0.00 C ATOM 385 O GLU A 24 4.108 16.237 -3.337 1.00 0.00 O ATOM 386 CB GLU A 24 7.039 16.112 -4.010 1.00 0.00 C ATOM 387 CG GLU A 24 8.359 15.631 -3.420 1.00 0.00 C ATOM 388 CD GLU A 24 8.272 15.214 -1.930 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.313 15.622 -1.232 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.183 14.482 -1.469 1.00 0.00 O ATOM 0 H GLU A 24 5.597 15.561 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 24 6.555 14.096 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.189 16.462 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.657 16.956 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.717 14.783 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.100 16.424 -3.522 1.00 0.00 H new ATOM 397 N LYS A 25 4.487 14.338 -2.197 1.00 0.00 N ATOM 398 CA LYS A 25 3.228 14.378 -1.457 1.00 0.00 C ATOM 399 C LYS A 25 3.200 15.533 -0.453 1.00 0.00 C ATOM 400 O LYS A 25 2.118 16.004 -0.102 1.00 0.00 O ATOM 401 CB LYS A 25 2.993 13.051 -0.742 1.00 0.00 C ATOM 402 CG LYS A 25 2.664 11.932 -1.743 1.00 0.00 C ATOM 403 CD LYS A 25 2.664 10.558 -1.070 1.00 0.00 C ATOM 404 CE LYS A 25 1.555 10.417 -0.008 1.00 0.00 C ATOM 405 NZ LYS A 25 1.542 9.073 0.642 1.00 0.00 N ATOM 0 H LYS A 25 5.097 13.564 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 25 2.426 14.544 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.880 12.781 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.175 13.158 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.688 12.119 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.393 11.941 -2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.535 9.786 -1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.634 10.387 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.690 11.183 0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.587 10.599 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.777 9.035 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.385 8.340 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.454 8.906 1.113 1.00 0.00 H new ATOM 419 N ASP A 26 4.363 15.975 0.041 1.00 0.00 N ATOM 420 CA ASP A 26 4.423 17.019 1.057 1.00 0.00 C ATOM 421 C ASP A 26 4.128 18.385 0.442 1.00 0.00 C ATOM 422 O ASP A 26 3.331 19.155 0.983 1.00 0.00 O ATOM 423 CB ASP A 26 5.787 17.037 1.748 1.00 0.00 C ATOM 424 CG ASP A 26 5.818 18.123 2.835 1.00 0.00 C ATOM 425 OD1 ASP A 26 5.189 17.934 3.902 1.00 0.00 O ATOM 426 OD2 ASP A 26 6.555 19.125 2.684 1.00 0.00 O ATOM 0 H ASP A 26 5.274 15.621 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 26 3.662 16.799 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.991 16.062 2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.572 17.224 1.015 1.00 0.00 H new ATOM 431 N ALA A 27 4.749 18.668 -0.709 1.00 0.00 N ATOM 432 CA ALA A 27 4.634 19.939 -1.409 1.00 0.00 C ATOM 433 C ALA A 27 3.481 19.962 -2.423 1.00 0.00 C ATOM 434 O ALA A 27 3.082 21.043 -2.861 1.00 0.00 O ATOM 435 CB ALA A 27 5.971 20.245 -2.098 1.00 0.00 C ATOM 0 H ALA A 27 5.357 18.001 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 27 4.401 20.710 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.899 21.195 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.761 20.305 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.204 19.452 -2.808 1.00 0.00 H new ATOM 441 N MET A 28 2.964 18.787 -2.808 1.00 0.00 N ATOM 442 CA MET A 28 2.028 18.597 -3.916 1.00 0.00 C ATOM 443 C MET A 28 2.595 19.159 -5.231 1.00 0.00 C ATOM 444 O MET A 28 1.848 19.577 -6.121 1.00 0.00 O ATOM 445 CB MET A 28 0.589 19.026 -3.572 1.00 0.00 C ATOM 446 CG MET A 28 -0.007 18.182 -2.438 1.00 0.00 C ATOM 447 SD MET A 28 -0.162 16.392 -2.738 1.00 0.00 S ATOM 448 CE MET A 28 -1.413 16.341 -4.049 1.00 0.00 C ATOM 0 H MET A 28 3.197 17.913 -2.337 1.00 0.00 H new ATOM 0 HA MET A 28 1.925 17.526 -4.090 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.583 20.077 -3.283 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.038 18.936 -4.459 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.608 18.325 -1.549 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.997 18.574 -2.207 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.618 15.304 -4.317 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.330 16.812 -3.695 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.045 16.876 -4.924 1.00 0.00 H new ATOM 458 N ASP A 29 3.929 19.164 -5.360 1.00 0.00 N ATOM 459 CA ASP A 29 4.629 19.463 -6.603 1.00 0.00 C ATOM 460 C ASP A 29 4.791 18.162 -7.384 1.00 0.00 C ATOM 461 O ASP A 29 4.961 17.104 -6.771 1.00 0.00 O ATOM 462 CB ASP A 29 6.002 20.086 -6.348 1.00 0.00 C ATOM 463 CG ASP A 29 6.653 20.450 -7.690 1.00 0.00 C ATOM 464 OD1 ASP A 29 6.314 21.527 -8.239 1.00 0.00 O ATOM 465 OD2 ASP A 29 7.480 19.660 -8.196 1.00 0.00 O ATOM 0 H ASP A 29 4.558 18.955 -4.584 1.00 0.00 H new ATOM 0 HA ASP A 29 4.045 20.188 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.900 20.976 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.635 19.387 -5.802 1.00 0.00 H new ATOM 470 N VAL A 30 4.747 18.220 -8.713 1.00 0.00 N ATOM 471 CA VAL A 30 4.943 17.047 -9.544 1.00 0.00 C ATOM 472 C VAL A 30 6.182 17.279 -10.406 1.00 0.00 C ATOM 473 O VAL A 30 6.234 18.193 -11.237 1.00 0.00 O ATOM 474 CB VAL A 30 3.670 16.713 -10.338 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.855 15.440 -11.174 1.00 0.00 C ATOM 476 CG2 VAL A 30 2.441 16.523 -9.440 1.00 0.00 C ATOM 0 H VAL A 30 4.575 19.078 -9.236 1.00 0.00 H new ATOM 0 HA VAL A 30 5.124 16.160 -8.937 1.00 0.00 H new ATOM 0 HB VAL A 30 3.498 17.571 -10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.938 15.230 -11.724 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.676 15.583 -11.877 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.083 14.602 -10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.573 16.289 -10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.622 15.705 -8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.253 17.440 -8.881 1.00 0.00 H new ATOM 486 N TRP A 31 7.171 16.411 -10.212 1.00 0.00 N ATOM 487 CA TRP A 31 8.362 16.296 -11.017 1.00 0.00 C ATOM 488 C TRP A 31 8.042 15.394 -12.215 1.00 0.00 C ATOM 489 O TRP A 31 7.477 14.314 -12.037 1.00 0.00 O ATOM 490 CB TRP A 31 9.482 15.660 -10.168 1.00 0.00 C ATOM 491 CG TRP A 31 9.604 16.057 -8.717 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.158 15.357 -7.646 1.00 0.00 C ATOM 493 CD2 TRP A 31 10.287 17.212 -8.144 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.533 15.981 -6.476 1.00 0.00 N ATOM 495 CE2 TRP A 31 10.251 17.125 -6.722 1.00 0.00 C ATOM 496 CE3 TRP A 31 10.953 18.317 -8.696 1.00 0.00 C ATOM 497 CZ2 TRP A 31 10.865 18.073 -5.888 1.00 0.00 C ATOM 498 CZ3 TRP A 31 11.595 19.268 -7.876 1.00 0.00 C ATOM 499 CH2 TRP A 31 11.551 19.150 -6.475 1.00 0.00 C ATOM 0 H TRP A 31 7.153 15.738 -9.446 1.00 0.00 H new ATOM 0 HA TRP A 31 8.690 17.275 -11.365 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.352 14.578 -10.205 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.432 15.883 -10.653 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.589 14.440 -7.701 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.305 15.636 -5.543 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.974 18.441 -9.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.811 17.976 -4.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 12.125 20.094 -8.327 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.042 19.884 -5.853 1.00 0.00 H new ATOM 510 N CYS A 32 8.416 15.795 -13.428 1.00 0.00 N ATOM 511 CA CYS A 32 8.397 14.952 -14.615 1.00 0.00 C ATOM 512 C CYS A 32 9.848 14.862 -15.085 1.00 0.00 C ATOM 513 O CYS A 32 10.451 15.888 -15.404 1.00 0.00 O ATOM 514 CB CYS A 32 7.457 15.555 -15.661 1.00 0.00 C ATOM 515 SG CYS A 32 7.412 14.535 -17.159 1.00 0.00 S ATOM 0 H CYS A 32 8.749 16.741 -13.614 1.00 0.00 H new ATOM 0 HA CYS A 32 8.015 13.950 -14.422 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.453 15.642 -15.246 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.786 16.563 -15.913 1.00 0.00 H new ATOM 0 HG CYS A 32 6.605 15.072 -18.025 1.00 0.00 H new ATOM 521 N ASN A 33 10.426 13.654 -15.064 1.00 0.00 N ATOM 522 CA ASN A 33 11.853 13.399 -15.324 1.00 0.00 C ATOM 523 C ASN A 33 12.748 14.388 -14.550 1.00 0.00 C ATOM 524 O ASN A 33 13.714 14.935 -15.081 1.00 0.00 O ATOM 525 CB ASN A 33 12.156 13.305 -16.841 1.00 0.00 C ATOM 526 CG ASN A 33 11.793 11.955 -17.459 1.00 0.00 C ATOM 527 OD1 ASN A 33 11.416 11.017 -16.763 1.00 0.00 O ATOM 528 ND2 ASN A 33 11.888 11.801 -18.770 1.00 0.00 N ATOM 0 H ASN A 33 9.902 12.803 -14.860 1.00 0.00 H new ATOM 0 HA ASN A 33 12.105 12.414 -14.931 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.609 14.091 -17.361 1.00 0.00 H new ATOM 0 HB3 ASN A 33 13.217 13.495 -17.003 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.648 10.906 -19.197 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.201 12.577 -19.353 1.00 0.00 H new ATOM 535 N GLY A 34 12.395 14.645 -13.282 1.00 0.00 N ATOM 536 CA GLY A 34 13.149 15.501 -12.367 1.00 0.00 C ATOM 537 C GLY A 34 12.916 17.006 -12.547 1.00 0.00 C ATOM 538 O GLY A 34 13.315 17.776 -11.672 1.00 0.00 O ATOM 0 H GLY A 34 11.555 14.251 -12.858 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.892 15.229 -11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.212 15.295 -12.494 1.00 0.00 H new ATOM 542 N LYS A 35 12.258 17.453 -13.625 1.00 0.00 N ATOM 543 CA LYS A 35 11.922 18.866 -13.835 1.00 0.00 C ATOM 544 C LYS A 35 10.549 19.134 -13.230 1.00 0.00 C ATOM 545 O LYS A 35 9.646 18.312 -13.394 1.00 0.00 O ATOM 546 CB LYS A 35 11.950 19.210 -15.335 1.00 0.00 C ATOM 547 CG LYS A 35 13.348 19.052 -15.952 1.00 0.00 C ATOM 548 CD LYS A 35 13.347 19.448 -17.434 1.00 0.00 C ATOM 549 CE LYS A 35 14.758 19.283 -18.018 1.00 0.00 C ATOM 550 NZ LYS A 35 14.817 19.649 -19.459 1.00 0.00 N ATOM 0 H LYS A 35 11.943 16.842 -14.378 1.00 0.00 H new ATOM 0 HA LYS A 35 12.659 19.502 -13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.248 18.566 -15.865 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.609 20.236 -15.475 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.061 19.671 -15.408 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.679 18.019 -15.849 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.641 18.827 -17.985 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.017 20.481 -17.544 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.456 19.905 -17.458 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.082 18.250 -17.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.788 19.522 -19.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.171 19.038 -19.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.534 20.643 -19.577 1.00 0.00 H new ATOM 564 N LYS A 36 10.352 20.260 -12.540 1.00 0.00 N ATOM 565 CA LYS A 36 9.028 20.621 -12.035 1.00 0.00 C ATOM 566 C LYS A 36 8.136 20.964 -13.226 1.00 0.00 C ATOM 567 O LYS A 36 8.622 21.553 -14.198 1.00 0.00 O ATOM 568 CB LYS A 36 9.112 21.826 -11.083 1.00 0.00 C ATOM 569 CG LYS A 36 10.063 21.619 -9.888 1.00 0.00 C ATOM 570 CD LYS A 36 10.802 22.901 -9.495 1.00 0.00 C ATOM 571 CE LYS A 36 9.844 24.012 -9.033 1.00 0.00 C ATOM 572 NZ LYS A 36 10.568 25.242 -8.606 1.00 0.00 N ATOM 0 H LYS A 36 11.087 20.932 -12.320 1.00 0.00 H new ATOM 0 HA LYS A 36 8.614 19.782 -11.477 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.440 22.699 -11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.114 22.047 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.493 21.256 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.790 20.846 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.509 22.679 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.384 23.257 -10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.160 24.259 -9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.237 23.645 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.881 25.962 -8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.202 25.014 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.127 25.610 -9.402 1.00 0.00 H new ATOM 586 N LEU A 37 6.843 20.652 -13.143 1.00 0.00 N ATOM 587 CA LEU A 37 5.832 21.110 -14.090 1.00 0.00 C ATOM 588 C LEU A 37 4.686 21.807 -13.357 1.00 0.00 C ATOM 589 O LEU A 37 4.556 21.709 -12.135 1.00 0.00 O ATOM 590 CB LEU A 37 5.403 20.014 -15.076 1.00 0.00 C ATOM 591 CG LEU A 37 4.850 18.723 -14.470 1.00 0.00 C ATOM 592 CD1 LEU A 37 3.487 18.861 -13.790 1.00 0.00 C ATOM 593 CD2 LEU A 37 4.715 17.677 -15.582 1.00 0.00 C ATOM 0 H LEU A 37 6.464 20.063 -12.401 1.00 0.00 H new ATOM 0 HA LEU A 37 6.278 21.868 -14.735 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.645 20.431 -15.739 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.263 19.758 -15.696 1.00 0.00 H new ATOM 0 HG LEU A 37 5.558 18.434 -13.693 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.179 17.894 -13.392 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.558 19.583 -12.976 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.751 19.205 -14.517 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.321 16.750 -15.164 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.035 18.047 -16.349 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.693 17.489 -16.025 1.00 0.00 H new ATOM 605 N GLU A 38 3.890 22.553 -14.119 1.00 0.00 N ATOM 606 CA GLU A 38 2.774 23.341 -13.622 1.00 0.00 C ATOM 607 C GLU A 38 1.594 22.431 -13.278 1.00 0.00 C ATOM 608 O GLU A 38 1.375 21.418 -13.944 1.00 0.00 O ATOM 609 CB GLU A 38 2.393 24.425 -14.644 1.00 0.00 C ATOM 610 CG GLU A 38 1.877 23.865 -15.980 1.00 0.00 C ATOM 611 CD GLU A 38 1.656 24.989 -17.008 1.00 0.00 C ATOM 612 OE1 GLU A 38 0.560 25.601 -17.022 1.00 0.00 O ATOM 613 OE2 GLU A 38 2.574 25.270 -17.819 1.00 0.00 O ATOM 0 H GLU A 38 4.011 22.625 -15.129 1.00 0.00 H new ATOM 0 HA GLU A 38 3.070 23.849 -12.704 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.627 25.067 -14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.264 25.052 -14.836 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.592 23.143 -16.375 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.942 23.330 -15.816 1.00 0.00 H new ATOM 620 N THR A 39 0.811 22.817 -12.273 1.00 0.00 N ATOM 621 CA THR A 39 -0.342 22.063 -11.789 1.00 0.00 C ATOM 622 C THR A 39 -1.484 23.023 -11.440 1.00 0.00 C ATOM 623 O THR A 39 -1.247 24.158 -11.010 1.00 0.00 O ATOM 624 CB THR A 39 0.050 21.175 -10.589 1.00 0.00 C ATOM 625 OG1 THR A 39 1.021 21.779 -9.739 1.00 0.00 O ATOM 626 CG2 THR A 39 0.611 19.828 -11.058 1.00 0.00 C ATOM 0 H THR A 39 0.965 23.685 -11.760 1.00 0.00 H new ATOM 0 HA THR A 39 -0.692 21.398 -12.579 1.00 0.00 H new ATOM 0 HB THR A 39 -0.871 21.035 -10.024 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.229 21.173 -8.997 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.879 19.224 -10.191 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.143 19.305 -11.646 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.497 19.996 -11.670 1.00 0.00 H new ATOM 634 N ALA A 40 -2.720 22.547 -11.598 1.00 0.00 N ATOM 635 CA ALA A 40 -3.941 23.192 -11.132 1.00 0.00 C ATOM 636 C ALA A 40 -4.726 22.116 -10.390 1.00 0.00 C ATOM 637 O ALA A 40 -4.737 20.974 -10.846 1.00 0.00 O ATOM 638 CB ALA A 40 -4.741 23.754 -12.312 1.00 0.00 C ATOM 0 H ALA A 40 -2.901 21.664 -12.075 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.725 24.038 -10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.648 24.231 -11.942 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.136 24.488 -12.845 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.008 22.943 -12.990 1.00 0.00 H new ATOM 644 N GLY A 41 -5.353 22.444 -9.263 1.00 0.00 N ATOM 645 CA GLY A 41 -6.040 21.483 -8.418 1.00 0.00 C ATOM 646 C GLY A 41 -7.510 21.836 -8.452 1.00 0.00 C ATOM 647 O GLY A 41 -7.904 22.863 -7.892 1.00 0.00 O ATOM 0 H GLY A 41 -5.396 23.400 -8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.879 20.467 -8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.657 21.523 -7.398 1.00 0.00 H new ATOM 651 N GLU A 42 -8.311 21.013 -9.123 1.00 0.00 N ATOM 652 CA GLU A 42 -9.758 21.111 -9.070 1.00 0.00 C ATOM 653 C GLU A 42 -10.274 20.157 -7.999 1.00 0.00 C ATOM 654 O GLU A 42 -9.687 19.100 -7.758 1.00 0.00 O ATOM 655 CB GLU A 42 -10.393 20.841 -10.446 1.00 0.00 C ATOM 656 CG GLU A 42 -10.461 22.149 -11.241 1.00 0.00 C ATOM 657 CD GLU A 42 -11.173 21.982 -12.599 1.00 0.00 C ATOM 658 OE1 GLU A 42 -12.413 21.779 -12.620 1.00 0.00 O ATOM 659 OE2 GLU A 42 -10.510 22.105 -13.659 1.00 0.00 O ATOM 0 H GLU A 42 -7.969 20.259 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.046 22.128 -8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.806 20.102 -10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.393 20.426 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.984 22.902 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.450 22.521 -11.408 1.00 0.00 H new ATOM 666 N PHE A 43 -11.387 20.527 -7.370 1.00 0.00 N ATOM 667 CA PHE A 43 -12.000 19.756 -6.292 1.00 0.00 C ATOM 668 C PHE A 43 -13.377 19.283 -6.741 1.00 0.00 C ATOM 669 O PHE A 43 -14.141 20.051 -7.335 1.00 0.00 O ATOM 670 CB PHE A 43 -12.080 20.592 -5.008 1.00 0.00 C ATOM 671 CG PHE A 43 -10.731 21.004 -4.449 1.00 0.00 C ATOM 672 CD1 PHE A 43 -10.021 20.133 -3.601 1.00 0.00 C ATOM 673 CD2 PHE A 43 -10.174 22.256 -4.785 1.00 0.00 C ATOM 674 CE1 PHE A 43 -8.766 20.512 -3.088 1.00 0.00 C ATOM 675 CE2 PHE A 43 -8.918 22.632 -4.276 1.00 0.00 C ATOM 676 CZ PHE A 43 -8.212 21.760 -3.428 1.00 0.00 C ATOM 0 H PHE A 43 -11.895 21.382 -7.598 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.386 18.883 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.667 21.488 -5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.616 20.022 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.440 19.172 -3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.714 22.928 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.227 19.844 -2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.495 23.591 -4.537 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.247 22.048 -3.039 1.00 0.00 H new ATOM 686 N VAL A 44 -13.697 18.026 -6.441 1.00 0.00 N ATOM 687 CA VAL A 44 -14.968 17.388 -6.724 1.00 0.00 C ATOM 688 C VAL A 44 -15.532 16.763 -5.449 1.00 0.00 C ATOM 689 O VAL A 44 -14.827 16.586 -4.453 1.00 0.00 O ATOM 690 CB VAL A 44 -14.799 16.350 -7.853 1.00 0.00 C ATOM 691 CG1 VAL A 44 -14.959 17.031 -9.212 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.501 15.529 -7.785 1.00 0.00 C ATOM 0 H VAL A 44 -13.042 17.400 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.684 18.133 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.591 15.615 -7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.839 16.293 -10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -15.951 17.479 -9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.202 17.808 -9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.471 14.827 -8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.643 16.199 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.468 14.978 -6.845 1.00 0.00 H new ATOM 702 N ASP A 45 -16.804 16.364 -5.508 1.00 0.00 N ATOM 703 CA ASP A 45 -17.520 15.670 -4.433 1.00 0.00 C ATOM 704 C ASP A 45 -17.117 14.185 -4.389 1.00 0.00 C ATOM 705 O ASP A 45 -17.945 13.270 -4.416 1.00 0.00 O ATOM 706 CB ASP A 45 -19.032 15.897 -4.561 1.00 0.00 C ATOM 707 CG ASP A 45 -19.811 15.299 -3.374 1.00 0.00 C ATOM 708 OD1 ASP A 45 -19.367 15.439 -2.207 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.916 14.741 -3.592 1.00 0.00 O ATOM 0 H ASP A 45 -17.384 16.520 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.232 16.090 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -19.233 16.966 -4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.388 15.450 -5.489 1.00 0.00 H new ATOM 714 N ASP A 46 -15.804 13.952 -4.429 1.00 0.00 N ATOM 715 CA ASP A 46 -15.139 12.660 -4.576 1.00 0.00 C ATOM 716 C ASP A 46 -13.686 12.753 -4.084 1.00 0.00 C ATOM 717 O ASP A 46 -13.170 11.805 -3.489 1.00 0.00 O ATOM 718 CB ASP A 46 -15.141 12.270 -6.059 1.00 0.00 C ATOM 719 CG ASP A 46 -14.301 11.009 -6.318 1.00 0.00 C ATOM 720 OD1 ASP A 46 -14.789 9.890 -6.027 1.00 0.00 O ATOM 721 OD2 ASP A 46 -13.178 11.141 -6.858 1.00 0.00 O ATOM 0 H ASP A 46 -15.132 14.716 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.668 11.912 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.166 12.098 -6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.749 13.096 -6.653 1.00 0.00 H new ATOM 726 N GLY A 47 -13.026 13.899 -4.287 1.00 0.00 N ATOM 727 CA GLY A 47 -11.624 14.092 -3.974 1.00 0.00 C ATOM 728 C GLY A 47 -11.087 15.297 -4.737 1.00 0.00 C ATOM 729 O GLY A 47 -11.824 16.250 -5.004 1.00 0.00 O ATOM 0 H GLY A 47 -13.469 14.729 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.499 14.243 -2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.056 13.200 -4.239 1.00 0.00 H new ATOM 733 N THR A 48 -9.817 15.237 -5.128 1.00 0.00 N ATOM 734 CA THR A 48 -9.139 16.292 -5.866 1.00 0.00 C ATOM 735 C THR A 48 -8.657 15.708 -7.193 1.00 0.00 C ATOM 736 O THR A 48 -8.383 14.509 -7.293 1.00 0.00 O ATOM 737 CB THR A 48 -7.979 16.883 -5.036 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.317 16.988 -3.657 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.541 18.271 -5.513 1.00 0.00 C ATOM 0 H THR A 48 -9.219 14.434 -4.935 1.00 0.00 H new ATOM 0 HA THR A 48 -9.823 17.117 -6.067 1.00 0.00 H new ATOM 0 HB THR A 48 -7.155 16.183 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.669 17.884 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.723 18.629 -4.888 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.207 18.211 -6.549 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.381 18.962 -5.442 1.00 0.00 H new ATOM 747 N GLU A 49 -8.534 16.552 -8.207 1.00 0.00 N ATOM 748 CA GLU A 49 -7.970 16.239 -9.504 1.00 0.00 C ATOM 749 C GLU A 49 -6.923 17.315 -9.807 1.00 0.00 C ATOM 750 O GLU A 49 -7.261 18.473 -10.054 1.00 0.00 O ATOM 751 CB GLU A 49 -9.071 16.147 -10.575 1.00 0.00 C ATOM 752 CG GLU A 49 -10.033 14.972 -10.322 1.00 0.00 C ATOM 753 CD GLU A 49 -11.160 14.887 -11.370 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.912 15.875 -11.556 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.350 13.801 -11.971 1.00 0.00 O ATOM 0 H GLU A 49 -8.842 17.522 -8.140 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.490 15.260 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.636 17.079 -10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.612 16.033 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.469 14.039 -10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.473 15.075 -9.330 1.00 0.00 H new ATOM 762 N THR A 50 -5.642 16.946 -9.741 1.00 0.00 N ATOM 763 CA THR A 50 -4.524 17.843 -10.009 1.00 0.00 C ATOM 764 C THR A 50 -4.146 17.674 -11.479 1.00 0.00 C ATOM 765 O THR A 50 -3.522 16.671 -11.821 1.00 0.00 O ATOM 766 CB THR A 50 -3.371 17.540 -9.040 1.00 0.00 C ATOM 767 OG1 THR A 50 -3.799 17.841 -7.721 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.101 18.334 -9.377 1.00 0.00 C ATOM 0 H THR A 50 -5.351 16.000 -9.496 1.00 0.00 H new ATOM 0 HA THR A 50 -4.786 18.888 -9.841 1.00 0.00 H new ATOM 0 HB THR A 50 -3.115 16.484 -9.130 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.073 17.651 -7.090 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.316 18.085 -8.663 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.770 18.081 -10.384 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.314 19.402 -9.323 1.00 0.00 H new ATOM 776 N HIS A 51 -4.534 18.613 -12.340 1.00 0.00 N ATOM 777 CA HIS A 51 -4.383 18.531 -13.789 1.00 0.00 C ATOM 778 C HIS A 51 -3.042 19.114 -14.240 1.00 0.00 C ATOM 779 O HIS A 51 -2.547 20.069 -13.633 1.00 0.00 O ATOM 780 CB HIS A 51 -5.530 19.283 -14.483 1.00 0.00 C ATOM 781 CG HIS A 51 -6.890 18.660 -14.288 1.00 0.00 C ATOM 782 ND1 HIS A 51 -7.490 17.739 -15.120 1.00 0.00 N ATOM 783 CD2 HIS A 51 -7.775 18.929 -13.275 1.00 0.00 C ATOM 784 CE1 HIS A 51 -8.699 17.446 -14.607 1.00 0.00 C ATOM 785 NE2 HIS A 51 -8.925 18.154 -13.484 1.00 0.00 N ATOM 0 H HIS A 51 -4.977 19.480 -12.036 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.413 17.478 -14.070 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.556 20.307 -14.110 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.319 19.338 -15.551 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.614 19.618 -12.459 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.393 16.739 -15.037 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.763 18.131 -12.903 1.00 0.00 H new ATOM 793 N PHE A 52 -2.489 18.558 -15.322 1.00 0.00 N ATOM 794 CA PHE A 52 -1.336 19.054 -16.072 1.00 0.00 C ATOM 795 C PHE A 52 -1.378 18.439 -17.485 1.00 0.00 C ATOM 796 O PHE A 52 -2.315 17.708 -17.809 1.00 0.00 O ATOM 797 CB PHE A 52 -0.029 18.758 -15.313 1.00 0.00 C ATOM 798 CG PHE A 52 0.226 17.326 -14.882 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.292 16.865 -13.656 1.00 0.00 C ATOM 800 CD2 PHE A 52 1.050 16.486 -15.655 1.00 0.00 C ATOM 801 CE1 PHE A 52 0.017 15.575 -13.198 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.357 15.192 -15.192 1.00 0.00 C ATOM 803 CZ PHE A 52 0.848 14.741 -13.963 1.00 0.00 C ATOM 0 H PHE A 52 -2.859 17.695 -15.721 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.374 20.138 -16.176 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.803 19.072 -15.943 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.009 19.385 -14.422 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.930 17.507 -13.066 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.445 16.832 -16.599 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.384 15.224 -12.258 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.986 14.544 -15.784 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.096 13.752 -13.606 1.00 0.00 H new ATOM 813 N SER A 53 -0.388 18.716 -18.338 1.00 0.00 N ATOM 814 CA SER A 53 -0.341 18.246 -19.725 1.00 0.00 C ATOM 815 C SER A 53 1.107 17.951 -20.121 1.00 0.00 C ATOM 816 O SER A 53 2.028 18.618 -19.636 1.00 0.00 O ATOM 817 CB SER A 53 -0.953 19.285 -20.682 1.00 0.00 C ATOM 818 OG SER A 53 -2.276 19.644 -20.299 1.00 0.00 O ATOM 0 H SER A 53 0.419 19.284 -18.079 1.00 0.00 H new ATOM 0 HA SER A 53 -0.930 17.332 -19.800 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.326 20.176 -20.700 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.965 18.883 -21.695 1.00 0.00 H new ATOM 0 HG SER A 53 -2.631 20.306 -20.929 1.00 0.00 H new ATOM 824 N ILE A 54 1.308 16.946 -20.979 1.00 0.00 N ATOM 825 CA ILE A 54 2.611 16.473 -21.447 1.00 0.00 C ATOM 826 C ILE A 54 2.411 16.110 -22.920 1.00 0.00 C ATOM 827 O ILE A 54 1.449 15.415 -23.251 1.00 0.00 O ATOM 828 CB ILE A 54 3.088 15.256 -20.605 1.00 0.00 C ATOM 829 CG1 ILE A 54 3.261 15.650 -19.120 1.00 0.00 C ATOM 830 CG2 ILE A 54 4.411 14.681 -21.156 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.549 14.481 -18.181 1.00 0.00 C ATOM 0 H ILE A 54 0.533 16.419 -21.382 1.00 0.00 H new ATOM 0 HA ILE A 54 3.387 17.230 -21.337 1.00 0.00 H new ATOM 0 HB ILE A 54 2.321 14.485 -20.677 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.075 16.371 -19.042 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.355 16.154 -18.784 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.720 13.831 -20.547 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.265 14.356 -22.186 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.183 15.450 -21.124 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.655 14.851 -17.161 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.726 13.768 -18.224 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.472 13.988 -18.486 1.00 0.00 H new ATOM 843 N GLY A 55 3.308 16.550 -23.807 1.00 0.00 N ATOM 844 CA GLY A 55 3.164 16.304 -25.237 1.00 0.00 C ATOM 845 C GLY A 55 1.846 16.904 -25.722 1.00 0.00 C ATOM 846 O GLY A 55 1.562 18.076 -25.448 1.00 0.00 O ATOM 0 H GLY A 55 4.143 17.080 -23.555 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.000 16.746 -25.780 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.185 15.233 -25.437 1.00 0.00 H new ATOM 850 N ASN A 56 1.024 16.095 -26.397 1.00 0.00 N ATOM 851 CA ASN A 56 -0.327 16.456 -26.826 1.00 0.00 C ATOM 852 C ASN A 56 -1.377 15.681 -26.011 1.00 0.00 C ATOM 853 O ASN A 56 -2.390 15.231 -26.554 1.00 0.00 O ATOM 854 CB ASN A 56 -0.471 16.270 -28.348 1.00 0.00 C ATOM 855 CG ASN A 56 -1.763 16.881 -28.901 1.00 0.00 C ATOM 856 OD1 ASN A 56 -2.341 17.808 -28.330 1.00 0.00 O ATOM 857 ND2 ASN A 56 -2.221 16.410 -30.053 1.00 0.00 N ATOM 0 H ASN A 56 1.288 15.147 -26.666 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.506 17.512 -26.626 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.384 16.726 -28.848 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.448 15.206 -28.583 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.058 16.815 -30.473 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.737 15.643 -30.519 1.00 0.00 H new ATOM 864 N HIS A 57 -1.112 15.459 -24.719 1.00 0.00 N ATOM 865 CA HIS A 57 -1.937 14.659 -23.820 1.00 0.00 C ATOM 866 C HIS A 57 -2.161 15.444 -22.529 1.00 0.00 C ATOM 867 O HIS A 57 -1.260 16.157 -22.074 1.00 0.00 O ATOM 868 CB HIS A 57 -1.249 13.319 -23.504 1.00 0.00 C ATOM 869 CG HIS A 57 -0.621 12.633 -24.692 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.276 11.980 -25.714 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.717 12.589 -24.979 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.351 11.552 -26.593 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.886 11.905 -26.190 1.00 0.00 N ATOM 0 H HIS A 57 -0.288 15.846 -24.259 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.893 14.448 -24.299 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.478 13.491 -22.753 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.983 12.646 -23.060 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.507 13.010 -24.375 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.570 11.002 -27.496 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.766 11.713 -26.669 1.00 0.00 H new ATOM 881 N ASP A 58 -3.332 15.293 -21.911 1.00 0.00 N ATOM 882 CA ASP A 58 -3.589 15.807 -20.570 1.00 0.00 C ATOM 883 C ASP A 58 -3.433 14.672 -19.561 1.00 0.00 C ATOM 884 O ASP A 58 -3.648 13.496 -19.878 1.00 0.00 O ATOM 885 CB ASP A 58 -4.940 16.513 -20.433 1.00 0.00 C ATOM 886 CG ASP A 58 -6.072 15.549 -20.030 1.00 0.00 C ATOM 887 OD1 ASP A 58 -6.651 14.888 -20.929 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.404 15.481 -18.823 1.00 0.00 O ATOM 0 H ASP A 58 -4.128 14.810 -22.328 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.851 16.582 -20.364 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.859 17.304 -19.688 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.194 16.991 -21.379 1.00 0.00 H new ATOM 893 N CYS A 59 -3.033 15.036 -18.350 1.00 0.00 N ATOM 894 CA CYS A 59 -2.806 14.139 -17.236 1.00 0.00 C ATOM 895 C CYS A 59 -3.480 14.739 -16.009 1.00 0.00 C ATOM 896 O CYS A 59 -3.556 15.964 -15.887 1.00 0.00 O ATOM 897 CB CYS A 59 -1.308 13.994 -16.930 1.00 0.00 C ATOM 898 SG CYS A 59 -0.287 13.900 -18.429 1.00 0.00 S ATOM 0 H CYS A 59 -2.851 16.011 -18.112 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.208 13.157 -17.488 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.982 14.841 -16.327 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.150 13.097 -16.332 1.00 0.00 H new ATOM 0 HG CYS A 59 0.654 13.019 -18.259 1.00 0.00 H new ATOM 904 N TYR A 60 -3.922 13.912 -15.066 1.00 0.00 N ATOM 905 CA TYR A 60 -4.349 14.417 -13.781 1.00 0.00 C ATOM 906 C TYR A 60 -4.072 13.398 -12.699 1.00 0.00 C ATOM 907 O TYR A 60 -4.269 12.207 -12.909 1.00 0.00 O ATOM 908 CB TYR A 60 -5.805 14.898 -13.803 1.00 0.00 C ATOM 909 CG TYR A 60 -6.898 13.892 -14.119 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.355 12.994 -13.136 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.526 13.933 -15.377 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.445 12.143 -13.405 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.643 13.123 -15.639 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.123 12.239 -14.646 1.00 0.00 C ATOM 915 OH TYR A 60 -10.188 11.435 -14.935 1.00 0.00 O ATOM 0 H TYR A 60 -3.991 12.900 -15.173 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.761 15.304 -13.546 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.025 15.331 -12.827 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.876 15.704 -14.533 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.868 12.957 -12.173 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.147 14.591 -16.145 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.763 11.420 -12.668 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.135 13.176 -16.599 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.933 11.983 -15.258 1.00 0.00 H new ATOM 925 N ILE A 61 -3.631 13.842 -11.526 1.00 0.00 N ATOM 926 CA ILE A 61 -3.551 12.959 -10.371 1.00 0.00 C ATOM 927 C ILE A 61 -4.926 13.050 -9.730 1.00 0.00 C ATOM 928 O ILE A 61 -5.336 14.129 -9.299 1.00 0.00 O ATOM 929 CB ILE A 61 -2.389 13.335 -9.434 1.00 0.00 C ATOM 930 CG1 ILE A 61 -1.032 13.140 -10.150 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.422 12.479 -8.151 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.046 14.064 -9.578 1.00 0.00 C ATOM 0 H ILE A 61 -3.326 14.800 -11.352 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.319 11.928 -10.640 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.504 14.384 -9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.713 12.103 -10.050 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.151 13.335 -11.216 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.592 12.762 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.363 12.645 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.334 11.425 -8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.985 13.898 -10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.262 15.102 -9.702 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.183 13.850 -8.518 1.00 0.00 H new ATOM 944 N LYS A 62 -5.643 11.931 -9.689 1.00 0.00 N ATOM 945 CA LYS A 62 -6.879 11.812 -8.938 1.00 0.00 C ATOM 946 C LYS A 62 -6.457 11.461 -7.519 1.00 0.00 C ATOM 947 O LYS A 62 -5.669 10.533 -7.336 1.00 0.00 O ATOM 948 CB LYS A 62 -7.758 10.752 -9.614 1.00 0.00 C ATOM 949 CG LYS A 62 -9.222 10.808 -9.161 1.00 0.00 C ATOM 950 CD LYS A 62 -10.046 9.760 -9.925 1.00 0.00 C ATOM 951 CE LYS A 62 -11.518 9.836 -9.483 1.00 0.00 C ATOM 952 NZ LYS A 62 -12.378 8.844 -10.185 1.00 0.00 N ATOM 0 H LYS A 62 -5.377 11.078 -10.181 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.481 12.720 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.713 10.886 -10.695 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.355 9.763 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.287 10.624 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.629 11.803 -9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.969 9.934 -10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.650 8.762 -9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.580 9.669 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.899 10.840 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.359 8.937 -9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.343 9.018 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.034 7.883 -9.985 1.00 0.00 H new ATOM 966 N ALA A 63 -6.939 12.207 -6.537 1.00 0.00 N ATOM 967 CA ALA A 63 -6.613 12.042 -5.138 1.00 0.00 C ATOM 968 C ALA A 63 -7.946 11.865 -4.421 1.00 0.00 C ATOM 969 O ALA A 63 -8.640 12.846 -4.164 1.00 0.00 O ATOM 970 CB ALA A 63 -5.815 13.253 -4.661 1.00 0.00 C ATOM 0 H ALA A 63 -7.593 12.972 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.981 11.177 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.567 13.133 -3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.897 13.336 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.411 14.156 -4.793 1.00 0.00 H new ATOM 976 N VAL A 64 -8.341 10.624 -4.172 1.00 0.00 N ATOM 977 CA VAL A 64 -9.669 10.271 -3.699 1.00 0.00 C ATOM 978 C VAL A 64 -9.676 10.237 -2.177 1.00 0.00 C ATOM 979 O VAL A 64 -8.898 9.485 -1.597 1.00 0.00 O ATOM 980 CB VAL A 64 -10.121 8.896 -4.253 1.00 0.00 C ATOM 981 CG1 VAL A 64 -11.649 8.825 -4.272 1.00 0.00 C ATOM 982 CG2 VAL A 64 -9.588 8.570 -5.658 1.00 0.00 C ATOM 0 H VAL A 64 -7.731 9.816 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.368 11.026 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.694 8.152 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.963 7.857 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.032 8.950 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.042 9.618 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.953 7.591 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.935 9.326 -6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.498 8.562 -5.641 1.00 0.00 H new ATOM 992 N SER A 65 -10.565 10.975 -1.521 1.00 0.00 N ATOM 993 CA SER A 65 -10.737 10.967 -0.070 1.00 0.00 C ATOM 994 C SER A 65 -11.556 9.742 0.386 1.00 0.00 C ATOM 995 O SER A 65 -12.546 9.865 1.115 1.00 0.00 O ATOM 996 CB SER A 65 -11.325 12.313 0.381 1.00 0.00 C ATOM 997 OG SER A 65 -10.631 13.397 -0.228 1.00 0.00 O ATOM 0 H SER A 65 -11.204 11.613 -1.995 1.00 0.00 H new ATOM 0 HA SER A 65 -9.770 10.861 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.382 12.359 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.261 12.398 1.466 1.00 0.00 H new ATOM 0 HG SER A 65 -11.022 14.245 0.071 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.958 9.319 1.611 1.00 0.00 N ATOM 1112 CA ILE A 73 -6.356 9.774 0.282 1.00 0.00 C ATOM 1113 C ILE A 73 -5.632 8.866 -0.730 1.00 0.00 C ATOM 1114 O ILE A 73 -4.411 8.702 -0.651 1.00 0.00 O ATOM 1115 CB ILE A 73 -6.029 11.285 0.122 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.926 12.245 0.950 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -6.185 11.747 -1.333 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.967 12.050 2.467 1.00 0.00 C ATOM 0 HA ILE A 73 -7.430 9.694 0.113 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.002 11.346 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.597 13.265 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.945 12.160 0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.948 12.808 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.506 11.180 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.212 11.582 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.633 12.790 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.333 11.049 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.964 12.172 2.877 1.00 0.00 H new ATOM 1130 N ILE A 74 -6.363 8.286 -1.686 1.00 0.00 N ATOM 1131 CA ILE A 74 -5.824 7.359 -2.673 1.00 0.00 C ATOM 1132 C ILE A 74 -5.343 8.213 -3.840 1.00 0.00 C ATOM 1133 O ILE A 74 -6.167 8.834 -4.507 1.00 0.00 O ATOM 1134 CB ILE A 74 -6.898 6.318 -3.077 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -7.406 5.500 -1.866 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -6.395 5.386 -4.197 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -6.364 4.616 -1.164 1.00 0.00 C ATOM 0 H ILE A 74 -7.363 8.453 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.991 6.774 -2.284 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.745 6.883 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.819 6.193 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.226 4.864 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.176 4.670 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.143 5.978 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.510 4.850 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.833 4.091 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.966 3.890 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.552 5.239 -0.788 1.00 0.00 H new ATOM 1149 N HIS A 75 -4.035 8.264 -4.085 1.00 0.00 N ATOM 1150 CA HIS A 75 -3.469 9.018 -5.194 1.00 0.00 C ATOM 1151 C HIS A 75 -3.260 8.069 -6.372 1.00 0.00 C ATOM 1152 O HIS A 75 -2.617 7.026 -6.220 1.00 0.00 O ATOM 1153 CB HIS A 75 -2.163 9.697 -4.767 1.00 0.00 C ATOM 1154 CG HIS A 75 -2.368 10.823 -3.782 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -2.542 10.714 -2.419 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -2.402 12.158 -4.085 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -2.661 11.956 -1.917 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -2.591 12.873 -2.899 1.00 0.00 N ATOM 0 H HIS A 75 -3.339 7.781 -3.517 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.152 9.810 -5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.503 8.952 -4.324 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.658 10.085 -5.651 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -2.575 9.845 -1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.300 12.585 -5.072 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.794 12.186 -0.870 1.00 0.00 H new ATOM 1166 N THR A 76 -3.751 8.447 -7.553 1.00 0.00 N ATOM 1167 CA THR A 76 -3.566 7.712 -8.795 1.00 0.00 C ATOM 1168 C THR A 76 -3.259 8.712 -9.896 1.00 0.00 C ATOM 1169 O THR A 76 -3.896 9.761 -9.943 1.00 0.00 O ATOM 1170 CB THR A 76 -4.834 6.913 -9.155 1.00 0.00 C ATOM 1171 OG1 THR A 76 -5.406 6.268 -8.024 1.00 0.00 O ATOM 1172 CG2 THR A 76 -4.496 5.856 -10.202 1.00 0.00 C ATOM 0 H THR A 76 -4.303 9.297 -7.670 1.00 0.00 H new ATOM 0 HA THR A 76 -2.745 7.004 -8.680 1.00 0.00 H new ATOM 0 HB THR A 76 -5.562 7.625 -9.544 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.207 5.776 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.395 5.293 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.109 6.342 -11.098 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.742 5.177 -9.803 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.338 8.398 -10.806 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.155 9.204 -11.999 1.00 0.00 C ATOM 1182 C LEU A 77 -3.128 8.701 -13.053 1.00 0.00 C ATOM 1183 O LEU A 77 -3.238 7.500 -13.276 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.698 9.132 -12.476 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.450 9.872 -13.803 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.597 11.388 -13.641 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.952 9.548 -14.318 1.00 0.00 C ATOM 0 H LEU A 77 -1.713 7.595 -10.736 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.361 10.254 -11.794 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.051 9.554 -11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.413 8.086 -12.593 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.199 9.535 -14.519 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.415 11.876 -14.599 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.606 11.621 -13.301 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.125 11.747 -12.908 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.125 10.073 -15.257 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.692 9.866 -13.583 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.040 8.474 -14.481 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.826 9.613 -13.704 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.633 9.378 -14.874 1.00 0.00 C ATOM 1201 C ILE A 78 -3.922 10.122 -16.013 1.00 0.00 C ATOM 1202 O ILE A 78 -3.404 11.223 -15.801 1.00 0.00 O ATOM 1203 CB ILE A 78 -6.090 9.840 -14.634 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.969 8.762 -13.961 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.764 10.268 -15.941 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.587 8.487 -12.512 1.00 0.00 C ATOM 0 H ILE A 78 -3.842 10.589 -13.410 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.724 8.321 -15.126 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.010 10.689 -13.955 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.012 9.078 -14.000 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.895 7.836 -14.531 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.786 10.587 -15.736 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.208 11.095 -16.383 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.778 9.428 -16.635 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.244 7.720 -12.102 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.554 8.141 -12.467 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.689 9.402 -11.929 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.913 9.557 -17.218 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.409 10.191 -18.427 1.00 0.00 C ATOM 1220 C VAL A 79 -4.381 9.865 -19.548 1.00 0.00 C ATOM 1221 O VAL A 79 -4.755 8.706 -19.702 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.976 9.719 -18.730 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.384 10.442 -19.947 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.056 9.929 -17.519 1.00 0.00 C ATOM 0 H VAL A 79 -4.268 8.615 -17.382 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.347 11.273 -18.309 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.039 8.654 -18.954 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.372 10.081 -20.128 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.002 10.245 -20.823 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.358 11.515 -19.756 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.050 9.586 -17.762 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.027 10.988 -17.264 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.437 9.362 -16.670 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.818 10.876 -20.305 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.832 10.741 -21.359 1.00 0.00 C ATOM 1236 C ASP A 80 -7.076 9.981 -20.867 1.00 0.00 C ATOM 1237 O ASP A 80 -7.631 9.128 -21.560 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.206 10.170 -22.644 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.187 10.179 -23.832 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.918 11.182 -24.027 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.186 9.205 -24.623 1.00 0.00 O ATOM 0 H ASP A 80 -4.471 11.830 -20.202 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.202 11.733 -21.619 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.321 10.752 -22.903 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.873 9.149 -22.459 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.486 10.257 -19.620 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.583 9.605 -18.888 1.00 0.00 C ATOM 1248 C ASN A 81 -8.366 8.104 -18.586 1.00 0.00 C ATOM 1249 O ASN A 81 -9.239 7.470 -17.995 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.942 9.936 -19.543 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.152 9.460 -18.736 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.903 8.594 -19.183 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.400 10.020 -17.557 1.00 0.00 N ATOM 0 H ASN A 81 -7.035 10.983 -19.063 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.591 10.037 -17.887 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.013 11.015 -19.684 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.977 9.482 -20.533 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.216 9.732 -17.017 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.774 10.737 -17.191 1.00 0.00 H new ATOM 1260 N ARG A 82 -7.203 7.520 -18.909 1.00 0.00 N ATOM 1261 CA ARG A 82 -6.834 6.162 -18.533 1.00 0.00 C ATOM 1262 C ARG A 82 -6.119 6.192 -17.201 1.00 0.00 C ATOM 1263 O ARG A 82 -5.403 7.144 -16.906 1.00 0.00 O ATOM 1264 CB ARG A 82 -5.942 5.517 -19.605 1.00 0.00 C ATOM 1265 CG ARG A 82 -6.761 5.012 -20.787 1.00 0.00 C ATOM 1266 CD ARG A 82 -7.326 6.107 -21.696 1.00 0.00 C ATOM 1267 NE ARG A 82 -7.997 5.552 -22.882 1.00 0.00 N ATOM 1268 CZ ARG A 82 -8.732 6.263 -23.749 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -8.872 7.579 -23.600 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -9.332 5.645 -24.765 1.00 0.00 N ATOM 0 H ARG A 82 -6.482 7.996 -19.451 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.739 5.560 -18.448 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.208 6.244 -19.954 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.386 4.688 -19.166 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.136 4.349 -21.386 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.589 4.413 -20.407 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.033 6.716 -21.132 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.518 6.767 -22.013 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.895 4.552 -23.058 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.418 8.055 -22.821 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.433 8.111 -24.265 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.231 4.637 -24.880 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.893 6.180 -25.428 1.00 0.00 H new ATOM 1284 N GLU A 83 -6.298 5.145 -16.411 1.00 0.00 N ATOM 1285 CA GLU A 83 -5.751 5.054 -15.071 1.00 0.00 C ATOM 1286 C GLU A 83 -4.380 4.374 -15.111 1.00 0.00 C ATOM 1287 O GLU A 83 -4.216 3.338 -15.762 1.00 0.00 O ATOM 1288 CB GLU A 83 -6.777 4.363 -14.164 1.00 0.00 C ATOM 1289 CG GLU A 83 -6.284 4.239 -12.727 1.00 0.00 C ATOM 1290 CD GLU A 83 -7.349 3.583 -11.830 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -8.253 4.296 -11.329 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -7.283 2.348 -11.612 1.00 0.00 O ATOM 0 H GLU A 83 -6.836 4.324 -16.689 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.572 6.041 -14.645 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.710 4.926 -14.179 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.997 3.371 -14.558 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.369 3.647 -12.703 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.035 5.226 -12.338 1.00 0.00 H new ATOM 1299 N ILE A 84 -3.408 4.962 -14.411 1.00 0.00 N ATOM 1300 CA ILE A 84 -2.009 4.560 -14.377 1.00 0.00 C ATOM 1301 C ILE A 84 -1.691 4.150 -12.926 1.00 0.00 C ATOM 1302 O ILE A 84 -1.696 5.011 -12.041 1.00 0.00 O ATOM 1303 CB ILE A 84 -1.111 5.720 -14.885 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -1.569 6.339 -16.226 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.356 5.273 -14.967 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.649 5.387 -17.424 1.00 0.00 C ATOM 0 H ILE A 84 -3.590 5.775 -13.822 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.813 3.715 -15.037 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.211 6.515 -14.146 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.552 6.785 -16.078 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.886 7.150 -16.479 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.969 6.100 -15.325 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.699 4.968 -13.978 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.442 4.433 -15.656 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.981 5.937 -18.304 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.665 4.958 -17.614 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.358 4.588 -17.207 1.00 0.00 H new ATOM 1318 N PRO A 85 -1.430 2.863 -12.644 1.00 0.00 N ATOM 1319 CA PRO A 85 -1.041 2.406 -11.314 1.00 0.00 C ATOM 1320 C PRO A 85 0.405 2.824 -10.996 1.00 0.00 C ATOM 1321 O PRO A 85 1.225 2.982 -11.904 1.00 0.00 O ATOM 1322 CB PRO A 85 -1.215 0.885 -11.337 1.00 0.00 C ATOM 1323 CG PRO A 85 -0.955 0.529 -12.802 1.00 0.00 C ATOM 1324 CD PRO A 85 -1.506 1.737 -13.564 1.00 0.00 C ATOM 0 HA PRO A 85 -1.652 2.852 -10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.510 0.388 -10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.215 0.589 -11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.107 0.381 -12.997 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.463 -0.392 -13.088 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.922 1.929 -14.464 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.534 1.562 -13.882 1.00 0.00 H new ATOM 1332 N GLU A 86 0.708 2.994 -9.703 1.00 0.00 N ATOM 1333 CA GLU A 86 2.054 3.283 -9.203 1.00 0.00 C ATOM 1334 C GLU A 86 3.066 2.239 -9.694 1.00 0.00 C ATOM 1335 O GLU A 86 2.716 1.091 -9.995 1.00 0.00 O ATOM 1336 CB GLU A 86 2.055 3.309 -7.667 1.00 0.00 C ATOM 1337 CG GLU A 86 1.927 4.745 -7.169 1.00 0.00 C ATOM 1338 CD GLU A 86 2.012 4.806 -5.637 1.00 0.00 C ATOM 1339 OE1 GLU A 86 1.058 4.373 -4.946 1.00 0.00 O ATOM 1340 OE2 GLU A 86 3.023 5.330 -5.114 1.00 0.00 O ATOM 0 H GLU A 86 0.009 2.933 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 86 2.348 4.260 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.230 2.708 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.975 2.865 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.717 5.357 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.978 5.166 -7.501 1.00 0.00 H new