USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 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 41 MET CE :methyl -154:sc= -0.222 (180deg=-1.14) USER MOD Set 1.2: A 116 CYS SG : rot 78:sc= 0.899 USER MOD Set 2.1: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 83 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.027) USER MOD Single : A 33 SER OG : rot -45:sc= -0.203 USER MOD Single : A 37 LYS NZ :NH3+ -112:sc= -0.953 (180deg=-1.72!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.507 K(o=0.51,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= 0.452! (180deg=-0.917!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.348 F(o=-1.2,f=-0.35) USER MOD Single : A 57 SER OG : rot 27:sc= 0.0408 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= 0.104 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 172:sc= -0.563 USER MOD Single : A 84 GLN : amide:sc= -4.26! C(o=-4.3!,f=-9.1!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -155:sc= -0.177 (180deg=-0.972) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.149 F(o=-1.6!,f=-0.15) USER MOD Single : A 98 HIS : no HE2:sc= 0.345! C(o=0.35!,f=-9.4!) USER MOD Single : A 105 THR OG1 : rot 28:sc= 0.0591 USER MOD Single : A 106 THR OG1 : rot -90:sc= -5.58! USER MOD Single : A 114 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.32) USER MOD Single : A 120 LYS NZ :NH3+ 179:sc= 0.334 (180deg=0.304) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 -0.273 -12.809 8.558 1.00 0.00 N ATOM 134 CA SER A 33 -0.703 -12.543 9.926 1.00 0.00 C ATOM 135 C SER A 33 -1.977 -13.305 10.264 1.00 0.00 C ATOM 136 O SER A 33 -2.032 -14.034 11.254 1.00 0.00 O ATOM 137 CB SER A 33 -0.949 -11.043 10.110 1.00 0.00 C ATOM 138 OG SER A 33 -1.950 -10.615 9.194 1.00 0.00 O ATOM 0 HA SER A 33 0.088 -12.877 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.264 -10.837 11.133 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.026 -10.488 9.943 1.00 0.00 H new ATOM 0 HG SER A 33 -1.769 -10.997 8.310 1.00 0.00 H new ATOM 144 N LEU A 34 -3.001 -13.131 9.437 1.00 0.00 N ATOM 145 CA LEU A 34 -4.272 -13.798 9.668 1.00 0.00 C ATOM 146 C LEU A 34 -4.051 -15.216 10.180 1.00 0.00 C ATOM 147 O LEU A 34 -4.753 -15.676 11.081 1.00 0.00 O ATOM 148 CB LEU A 34 -5.082 -13.843 8.369 1.00 0.00 C ATOM 149 CG LEU A 34 -6.412 -14.561 8.616 1.00 0.00 C ATOM 150 CD1 LEU A 34 -7.189 -13.837 9.718 1.00 0.00 C ATOM 151 CD2 LEU A 34 -7.236 -14.564 7.327 1.00 0.00 C ATOM 0 H LEU A 34 -2.975 -12.538 8.607 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.823 -13.235 10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.265 -12.831 8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.517 -14.360 7.594 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.218 -15.588 8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.135 -14.349 9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.602 -13.836 10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.384 -12.809 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.183 -15.075 7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.429 -13.537 7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.683 -15.082 6.543 1.00 0.00 H new ATOM 163 N GLU A 35 -3.074 -15.904 9.603 1.00 0.00 N ATOM 164 CA GLU A 35 -2.773 -17.269 10.011 1.00 0.00 C ATOM 165 C GLU A 35 -2.246 -17.295 11.443 1.00 0.00 C ATOM 166 O GLU A 35 -2.649 -18.135 12.247 1.00 0.00 O ATOM 167 CB GLU A 35 -1.728 -17.873 9.071 1.00 0.00 C ATOM 168 CG GLU A 35 -1.826 -19.399 9.112 1.00 0.00 C ATOM 169 CD GLU A 35 -3.080 -19.859 8.377 1.00 0.00 C ATOM 170 OE1 GLU A 35 -3.371 -21.043 8.424 1.00 0.00 O ATOM 171 OE2 GLU A 35 -3.732 -19.020 7.776 1.00 0.00 O ATOM 0 H GLU A 35 -2.481 -15.542 8.856 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.690 -17.856 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.888 -17.515 8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.729 -17.554 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.942 -19.841 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.854 -19.743 10.146 1.00 0.00 H new ATOM 178 N GLU A 36 -1.345 -16.369 11.757 1.00 0.00 N ATOM 179 CA GLU A 36 -0.769 -16.297 13.096 1.00 0.00 C ATOM 180 C GLU A 36 -1.842 -15.946 14.121 1.00 0.00 C ATOM 181 O GLU A 36 -1.884 -16.517 15.211 1.00 0.00 O ATOM 182 CB GLU A 36 0.332 -15.240 13.127 1.00 0.00 C ATOM 183 CG GLU A 36 1.505 -15.698 12.258 1.00 0.00 C ATOM 184 CD GLU A 36 2.464 -14.537 12.025 1.00 0.00 C ATOM 185 OE1 GLU A 36 2.147 -13.439 12.452 1.00 0.00 O ATOM 186 OE2 GLU A 36 3.499 -14.762 11.420 1.00 0.00 O ATOM 0 H GLU A 36 -1.000 -15.662 11.108 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.348 -17.271 13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.053 -14.288 12.763 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.666 -15.078 14.152 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.029 -16.521 12.744 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.136 -16.074 11.303 1.00 0.00 H new ATOM 193 N LYS A 37 -2.713 -15.009 13.762 1.00 0.00 N ATOM 194 CA LYS A 37 -3.782 -14.592 14.662 1.00 0.00 C ATOM 195 C LYS A 37 -4.627 -15.788 15.081 1.00 0.00 C ATOM 196 O LYS A 37 -4.909 -15.974 16.266 1.00 0.00 O ATOM 197 CB LYS A 37 -4.672 -13.559 13.964 1.00 0.00 C ATOM 198 CG LYS A 37 -5.736 -13.064 14.940 1.00 0.00 C ATOM 199 CD LYS A 37 -6.486 -11.879 14.332 1.00 0.00 C ATOM 200 CE LYS A 37 -5.518 -10.712 14.125 1.00 0.00 C ATOM 201 NZ LYS A 37 -6.206 -9.434 14.458 1.00 0.00 N ATOM 0 H LYS A 37 -2.701 -14.528 12.863 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.333 -14.150 15.551 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.069 -12.722 13.611 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.145 -14.003 13.088 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.434 -13.869 15.170 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.271 -12.768 15.880 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.933 -12.168 13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.302 -11.576 14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.638 -10.839 14.755 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.170 -10.692 13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.337 -8.874 13.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.134 -9.639 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.629 -8.895 15.135 1.00 0.00 H new ATOM 215 N ILE A 38 -5.026 -16.596 14.108 1.00 0.00 N ATOM 216 CA ILE A 38 -5.835 -17.775 14.392 1.00 0.00 C ATOM 217 C ILE A 38 -5.058 -18.760 15.259 1.00 0.00 C ATOM 218 O ILE A 38 -5.594 -19.322 16.213 1.00 0.00 O ATOM 219 CB ILE A 38 -6.245 -18.451 13.083 1.00 0.00 C ATOM 220 CG1 ILE A 38 -7.192 -17.530 12.310 1.00 0.00 C ATOM 221 CG2 ILE A 38 -6.962 -19.768 13.391 1.00 0.00 C ATOM 222 CD1 ILE A 38 -7.395 -18.078 10.896 1.00 0.00 C ATOM 0 H ILE A 38 -4.805 -16.459 13.122 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.728 -17.462 14.933 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.356 -18.650 12.484 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.150 -17.460 12.825 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.780 -16.522 12.265 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.254 -20.250 12.458 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.292 -20.426 13.945 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.851 -19.567 13.990 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.069 -17.422 10.345 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.435 -18.125 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.826 -19.078 10.952 1.00 0.00 H new ATOM 234 N LYS A 39 -3.792 -18.974 14.915 1.00 0.00 N ATOM 235 CA LYS A 39 -2.952 -19.901 15.666 1.00 0.00 C ATOM 236 C LYS A 39 -2.818 -19.441 17.112 1.00 0.00 C ATOM 237 O LYS A 39 -2.832 -20.254 18.036 1.00 0.00 O ATOM 238 CB LYS A 39 -1.567 -19.980 15.023 1.00 0.00 C ATOM 239 CG LYS A 39 -1.680 -20.659 13.654 1.00 0.00 C ATOM 240 CD LYS A 39 -0.386 -20.445 12.860 1.00 0.00 C ATOM 241 CE LYS A 39 0.663 -21.471 13.280 1.00 0.00 C ATOM 242 NZ LYS A 39 1.727 -21.548 12.247 1.00 0.00 N ATOM 0 H LYS A 39 -3.328 -18.522 14.127 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.417 -20.887 15.650 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.148 -18.980 14.912 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.887 -20.541 15.665 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.867 -21.725 13.781 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.527 -20.250 13.104 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.586 -20.534 11.792 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.008 -19.437 13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.095 -21.192 14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.198 -22.448 13.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.441 -22.248 12.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.309 -21.834 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.178 -20.617 12.143 1.00 0.00 H new ATOM 256 N LEU A 40 -2.681 -18.131 17.303 1.00 0.00 N ATOM 257 CA LEU A 40 -2.547 -17.578 18.646 1.00 0.00 C ATOM 258 C LEU A 40 -3.840 -17.754 19.438 1.00 0.00 C ATOM 259 O LEU A 40 -3.825 -18.216 20.579 1.00 0.00 O ATOM 260 CB LEU A 40 -2.198 -16.090 18.563 1.00 0.00 C ATOM 261 CG LEU A 40 -2.062 -15.515 19.974 1.00 0.00 C ATOM 262 CD1 LEU A 40 -0.972 -16.274 20.735 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.687 -14.035 19.888 1.00 0.00 C ATOM 0 H LEU A 40 -2.660 -17.440 16.553 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.748 -18.115 19.158 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.267 -15.955 18.013 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.973 -15.555 18.014 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.011 -15.620 20.500 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.876 -15.863 21.740 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.240 -17.329 20.798 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.023 -16.171 20.209 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.590 -13.625 20.893 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.739 -13.930 19.360 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.464 -13.493 19.349 1.00 0.00 H new ATOM 275 N MET A 41 -4.957 -17.385 18.822 1.00 0.00 N ATOM 276 CA MET A 41 -6.256 -17.501 19.471 1.00 0.00 C ATOM 277 C MET A 41 -6.614 -18.967 19.680 1.00 0.00 C ATOM 278 O MET A 41 -7.315 -19.318 20.631 1.00 0.00 O ATOM 279 CB MET A 41 -7.328 -16.816 18.626 1.00 0.00 C ATOM 280 CG MET A 41 -7.219 -15.298 18.784 1.00 0.00 C ATOM 281 SD MET A 41 -7.617 -14.832 20.488 1.00 0.00 S ATOM 282 CE MET A 41 -9.399 -15.142 20.399 1.00 0.00 C ATOM 0 H MET A 41 -4.989 -17.004 17.876 1.00 0.00 H new ATOM 0 HA MET A 41 -6.205 -17.011 20.443 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.209 -17.091 17.578 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.318 -17.153 18.934 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.211 -14.968 18.532 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.899 -14.801 18.092 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.914 -14.519 21.131 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.761 -14.901 19.399 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.597 -16.192 20.613 1.00 0.00 H new ATOM 292 N ARG A 42 -6.139 -19.818 18.781 1.00 0.00 N ATOM 293 CA ARG A 42 -6.419 -21.244 18.874 1.00 0.00 C ATOM 294 C ARG A 42 -5.787 -21.835 20.127 1.00 0.00 C ATOM 295 O ARG A 42 -6.161 -22.924 20.566 1.00 0.00 O ATOM 296 CB ARG A 42 -5.885 -21.973 17.633 1.00 0.00 C ATOM 297 CG ARG A 42 -6.975 -22.047 16.557 1.00 0.00 C ATOM 298 CD ARG A 42 -6.681 -23.211 15.620 1.00 0.00 C ATOM 299 NE ARG A 42 -5.376 -23.041 14.981 1.00 0.00 N ATOM 300 CZ ARG A 42 -5.270 -22.752 13.688 1.00 0.00 C ATOM 301 NH1 ARG A 42 -4.091 -22.606 13.147 1.00 0.00 N ATOM 302 NH2 ARG A 42 -6.343 -22.616 12.959 1.00 0.00 N ATOM 0 H ARG A 42 -5.562 -19.548 17.984 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.500 -21.376 18.930 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.012 -21.451 17.242 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.561 -22.978 17.903 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.952 -22.178 17.022 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.011 -21.114 15.995 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.700 -24.147 16.178 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.459 -23.278 14.859 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.529 -23.147 15.540 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.252 -22.714 13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.009 -22.384 12.155 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.264 -22.731 13.381 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.261 -22.394 11.967 1.00 0.00 H new ATOM 316 N LEU A 43 -4.829 -21.117 20.692 1.00 0.00 N ATOM 317 CA LEU A 43 -4.154 -21.574 21.899 1.00 0.00 C ATOM 318 C LEU A 43 -4.804 -20.980 23.142 1.00 0.00 C ATOM 319 O LEU A 43 -4.913 -21.642 24.176 1.00 0.00 O ATOM 320 CB LEU A 43 -2.674 -21.187 21.851 1.00 0.00 C ATOM 321 CG LEU A 43 -1.892 -22.239 21.059 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.442 -21.781 20.899 1.00 0.00 C ATOM 323 CD2 LEU A 43 -1.925 -23.581 21.810 1.00 0.00 C ATOM 0 H LEU A 43 -4.502 -20.219 20.337 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.241 -22.659 21.949 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.559 -20.208 21.386 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.275 -21.109 22.862 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.346 -22.363 20.076 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.116 -22.529 20.335 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.417 -20.831 20.365 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.011 -21.656 21.883 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.368 -24.328 21.245 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.472 -23.459 22.794 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.958 -23.909 21.924 1.00 0.00 H new ATOM 335 N VAL A 44 -5.223 -19.724 23.036 1.00 0.00 N ATOM 336 CA VAL A 44 -5.846 -19.048 24.164 1.00 0.00 C ATOM 337 C VAL A 44 -7.152 -19.746 24.544 1.00 0.00 C ATOM 338 O VAL A 44 -7.412 -19.989 25.723 1.00 0.00 O ATOM 339 CB VAL A 44 -6.133 -17.588 23.801 1.00 0.00 C ATOM 340 CG1 VAL A 44 -6.744 -16.860 25.006 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.830 -16.898 23.391 1.00 0.00 C ATOM 0 H VAL A 44 -5.143 -19.160 22.190 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.164 -19.084 25.013 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.838 -17.557 22.971 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.945 -15.822 24.740 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.675 -17.349 25.292 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.046 -16.891 25.842 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.034 -15.859 23.133 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.123 -16.934 24.220 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.403 -17.409 22.528 1.00 0.00 H new ATOM 351 N VAL A 45 -7.962 -20.061 23.545 1.00 0.00 N ATOM 352 CA VAL A 45 -9.236 -20.729 23.784 1.00 0.00 C ATOM 353 C VAL A 45 -9.005 -22.120 24.360 1.00 0.00 C ATOM 354 O VAL A 45 -9.714 -22.556 25.263 1.00 0.00 O ATOM 355 CB VAL A 45 -10.032 -20.828 22.483 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.226 -21.761 22.685 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.535 -19.436 22.088 1.00 0.00 C ATOM 0 H VAL A 45 -7.763 -19.867 22.564 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.806 -20.142 24.504 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.392 -21.223 21.694 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.794 -21.832 21.757 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.870 -22.751 22.969 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.867 -21.366 23.473 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.103 -19.504 21.160 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.175 -19.043 22.878 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.685 -18.769 21.945 1.00 0.00 H new ATOM 367 N ARG A 46 -8.015 -22.819 23.818 1.00 0.00 N ATOM 368 CA ARG A 46 -7.703 -24.168 24.276 1.00 0.00 C ATOM 369 C ARG A 46 -7.188 -24.136 25.711 1.00 0.00 C ATOM 370 O ARG A 46 -7.111 -25.166 26.380 1.00 0.00 O ATOM 371 CB ARG A 46 -6.650 -24.801 23.363 1.00 0.00 C ATOM 372 CG ARG A 46 -6.412 -26.253 23.784 1.00 0.00 C ATOM 373 CD ARG A 46 -5.449 -26.919 22.804 1.00 0.00 C ATOM 374 NE ARG A 46 -5.335 -28.343 23.098 1.00 0.00 N ATOM 375 CZ ARG A 46 -4.436 -28.796 23.966 1.00 0.00 C ATOM 376 NH1 ARG A 46 -4.353 -30.075 24.211 1.00 0.00 N ATOM 377 NH2 ARG A 46 -3.636 -27.963 24.572 1.00 0.00 N ATOM 0 H ARG A 46 -7.417 -22.477 23.065 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.614 -24.766 24.242 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.983 -24.762 22.326 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.719 -24.238 23.420 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.001 -26.287 24.793 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.357 -26.795 23.806 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.803 -26.778 21.783 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.469 -26.447 22.869 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.956 -29.003 22.629 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.978 -30.727 23.736 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.663 -30.423 24.877 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.700 -26.963 24.380 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.946 -28.311 25.238 1.00 0.00 H new ATOM 391 N HIS A 47 -6.834 -22.945 26.182 1.00 0.00 N ATOM 392 CA HIS A 47 -6.325 -22.790 27.541 1.00 0.00 C ATOM 393 C HIS A 47 -7.080 -21.688 28.277 1.00 0.00 C ATOM 394 O HIS A 47 -6.534 -21.031 29.158 1.00 0.00 O ATOM 395 CB HIS A 47 -4.834 -22.455 27.503 1.00 0.00 C ATOM 396 CG HIS A 47 -4.078 -23.599 26.885 1.00 0.00 C ATOM 397 ND1 HIS A 47 -3.751 -23.627 25.539 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.578 -24.763 27.416 1.00 0.00 C ATOM 399 CE1 HIS A 47 -3.084 -24.772 25.306 1.00 0.00 C ATOM 400 NE2 HIS A 47 -2.950 -25.502 26.417 1.00 0.00 N ATOM 0 H HIS A 47 -6.889 -22.078 25.648 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.473 -23.730 28.073 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.670 -21.544 26.928 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.467 -22.266 28.512 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.975 -22.910 24.850 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.660 -25.060 28.451 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.703 -25.065 24.339 1.00 0.00 H new ATOM 407 N LYS A 48 -8.339 -21.490 27.906 1.00 0.00 N ATOM 408 CA LYS A 48 -9.162 -20.464 28.537 1.00 0.00 C ATOM 409 C LYS A 48 -9.517 -20.862 29.966 1.00 0.00 C ATOM 410 O LYS A 48 -9.714 -20.007 30.829 1.00 0.00 O ATOM 411 CB LYS A 48 -10.443 -20.271 27.712 1.00 0.00 C ATOM 412 CG LYS A 48 -11.252 -21.555 27.700 1.00 0.00 C ATOM 413 CD LYS A 48 -12.483 -21.368 26.814 1.00 0.00 C ATOM 414 CE LYS A 48 -13.292 -22.666 26.789 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.487 -22.489 25.916 1.00 0.00 N ATOM 0 H LYS A 48 -8.811 -22.023 27.175 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.602 -19.530 28.574 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.038 -19.461 28.133 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.188 -19.982 26.692 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.643 -22.379 27.327 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.556 -21.817 28.714 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.097 -20.551 27.193 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.179 -21.096 25.803 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.675 -23.485 26.418 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.602 -22.933 27.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.244 -23.130 26.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.819 -21.505 25.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.233 -22.708 24.931 1.00 0.00 H new ATOM 429 N HIS A 49 -9.598 -22.167 30.207 1.00 0.00 N ATOM 430 CA HIS A 49 -9.932 -22.668 31.534 1.00 0.00 C ATOM 431 C HIS A 49 -8.815 -22.359 32.525 1.00 0.00 C ATOM 432 O HIS A 49 -9.073 -21.971 33.664 1.00 0.00 O ATOM 433 CB HIS A 49 -10.164 -24.180 31.479 1.00 0.00 C ATOM 434 CG HIS A 49 -11.449 -24.464 30.752 1.00 0.00 C ATOM 435 ND1 HIS A 49 -12.754 -24.507 31.177 1.00 0.00 N flip ATOM 436 CD2 HIS A 49 -11.484 -24.755 29.397 1.00 0.00 C flip ATOM 437 CE1 HIS A 49 -13.587 -24.818 30.107 1.00 0.00 C flip ATOM 438 NE2 HIS A 49 -12.771 -24.957 29.058 1.00 0.00 N flip ATOM 0 H HIS A 49 -9.438 -22.891 29.506 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.843 -22.172 31.868 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.332 -24.668 30.972 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -10.207 -24.589 32.488 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -10.633 -24.810 28.734 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -14.662 -24.924 30.121 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -13.085 -25.188 28.115 1.00 0.00 H new ATOM 445 N GLU A 50 -7.575 -22.538 32.084 1.00 0.00 N ATOM 446 CA GLU A 50 -6.426 -22.281 32.944 1.00 0.00 C ATOM 447 C GLU A 50 -6.460 -20.853 33.473 1.00 0.00 C ATOM 448 O GLU A 50 -6.379 -19.893 32.707 1.00 0.00 O ATOM 449 CB GLU A 50 -5.128 -22.507 32.164 1.00 0.00 C ATOM 450 CG GLU A 50 -4.971 -23.997 31.854 1.00 0.00 C ATOM 451 CD GLU A 50 -3.718 -24.225 31.014 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.063 -23.249 30.686 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.430 -25.371 30.714 1.00 0.00 O ATOM 0 H GLU A 50 -7.341 -22.857 31.144 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.468 -22.970 33.788 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.143 -21.932 31.238 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.276 -22.154 32.745 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.905 -24.565 32.782 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.849 -24.360 31.319 1.00 0.00 H new ATOM 567 N SER A 57 -0.635 -12.701 35.022 1.00 0.00 N ATOM 568 CA SER A 57 0.346 -12.884 33.959 1.00 0.00 C ATOM 569 C SER A 57 0.651 -14.364 33.739 1.00 0.00 C ATOM 570 O SER A 57 0.915 -14.787 32.615 1.00 0.00 O ATOM 571 CB SER A 57 1.639 -12.148 34.308 1.00 0.00 C ATOM 572 OG SER A 57 1.391 -10.749 34.350 1.00 0.00 O ATOM 0 HA SER A 57 -0.075 -12.475 33.041 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.016 -12.490 35.272 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.408 -12.370 33.568 1.00 0.00 H new ATOM 0 HG SER A 57 0.452 -10.590 34.583 1.00 0.00 H new ATOM 578 N GLU A 58 0.622 -15.146 34.813 1.00 0.00 N ATOM 579 CA GLU A 58 0.907 -16.571 34.699 1.00 0.00 C ATOM 580 C GLU A 58 0.199 -17.168 33.487 1.00 0.00 C ATOM 581 O GLU A 58 0.645 -18.166 32.928 1.00 0.00 O ATOM 582 CB GLU A 58 0.463 -17.304 35.964 1.00 0.00 C ATOM 583 CG GLU A 58 0.788 -18.792 35.834 1.00 0.00 C ATOM 584 CD GLU A 58 0.408 -19.522 37.114 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.267 -18.922 37.934 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.795 -20.669 37.257 1.00 0.00 O ATOM 0 H GLU A 58 0.408 -14.824 35.757 1.00 0.00 H new ATOM 0 HA GLU A 58 1.983 -16.692 34.573 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.968 -16.886 36.835 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.607 -17.167 36.119 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.248 -19.218 34.989 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.851 -18.924 35.632 1.00 0.00 H new ATOM 593 N PHE A 59 -0.906 -16.551 33.088 1.00 0.00 N ATOM 594 CA PHE A 59 -1.665 -17.033 31.939 1.00 0.00 C ATOM 595 C PHE A 59 -1.006 -16.595 30.635 1.00 0.00 C ATOM 596 O PHE A 59 -0.500 -17.421 29.875 1.00 0.00 O ATOM 597 CB PHE A 59 -3.095 -16.494 31.999 1.00 0.00 C ATOM 598 CG PHE A 59 -3.807 -16.817 30.707 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.055 -18.150 30.360 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.221 -15.784 29.858 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.716 -18.450 29.163 1.00 0.00 C ATOM 602 CE2 PHE A 59 -4.883 -16.084 28.662 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.131 -17.417 28.314 1.00 0.00 C ATOM 0 H PHE A 59 -1.295 -15.722 33.538 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.684 -18.122 31.971 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.627 -16.937 32.841 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.083 -15.416 32.161 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.736 -18.947 31.016 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.030 -14.755 30.126 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.906 -19.479 28.894 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.203 -15.287 28.007 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.642 -17.648 27.391 1.00 0.00 H new ATOM 613 N TYR A 60 -1.017 -15.292 30.383 1.00 0.00 N ATOM 614 CA TYR A 60 -0.424 -14.753 29.167 1.00 0.00 C ATOM 615 C TYR A 60 1.044 -15.163 29.063 1.00 0.00 C ATOM 616 O TYR A 60 1.582 -15.311 27.965 1.00 0.00 O ATOM 617 CB TYR A 60 -0.534 -13.229 29.175 1.00 0.00 C ATOM 618 CG TYR A 60 -1.979 -12.821 29.254 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.543 -12.502 30.496 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.763 -12.764 28.095 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.888 -12.126 30.578 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.109 -12.388 28.178 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.672 -12.069 29.419 1.00 0.00 C ATOM 624 OH TYR A 60 -5.997 -11.696 29.498 1.00 0.00 O ATOM 0 H TYR A 60 -1.428 -14.593 31.001 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.961 -15.153 28.307 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.015 -12.820 30.023 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.080 -12.818 28.273 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.939 -12.546 31.390 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.329 -13.010 27.137 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.322 -11.880 31.536 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.713 -12.344 27.284 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.394 -11.708 28.602 1.00 0.00 H new ATOM 634 N ALA A 61 1.685 -15.345 30.213 1.00 0.00 N ATOM 635 CA ALA A 61 3.088 -15.743 30.242 1.00 0.00 C ATOM 636 C ALA A 61 3.255 -17.169 29.728 1.00 0.00 C ATOM 637 O ALA A 61 4.343 -17.566 29.313 1.00 0.00 O ATOM 638 CB ALA A 61 3.630 -15.645 31.668 1.00 0.00 C ATOM 0 H ALA A 61 1.259 -15.224 31.132 1.00 0.00 H new ATOM 0 HA ALA A 61 3.648 -15.070 29.594 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.678 -15.944 31.680 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.542 -14.618 32.021 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.057 -16.303 32.321 1.00 0.00 H new ATOM 644 N LYS A 62 2.171 -17.935 29.760 1.00 0.00 N ATOM 645 CA LYS A 62 2.204 -19.315 29.291 1.00 0.00 C ATOM 646 C LYS A 62 1.831 -19.392 27.816 1.00 0.00 C ATOM 647 O LYS A 62 2.365 -20.216 27.073 1.00 0.00 O ATOM 648 CB LYS A 62 1.243 -20.173 30.115 1.00 0.00 C ATOM 649 CG LYS A 62 1.872 -20.489 31.473 1.00 0.00 C ATOM 650 CD LYS A 62 0.876 -21.277 32.326 1.00 0.00 C ATOM 651 CE LYS A 62 1.510 -21.608 33.679 1.00 0.00 C ATOM 652 NZ LYS A 62 0.535 -22.364 34.514 1.00 0.00 N ATOM 0 H LYS A 62 1.262 -17.626 30.104 1.00 0.00 H new ATOM 0 HA LYS A 62 3.219 -19.694 29.413 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.298 -19.647 30.254 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.018 -21.098 29.583 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.787 -21.066 31.337 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.151 -19.565 31.980 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.034 -20.695 32.472 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.589 -22.195 31.813 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.415 -22.198 33.534 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.806 -20.691 34.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.495 -21.946 35.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.407 -22.317 34.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.835 -23.357 34.585 1.00 0.00 H new ATOM 666 N ILE A 63 0.904 -18.536 27.399 1.00 0.00 N ATOM 667 CA ILE A 63 0.462 -18.530 26.010 1.00 0.00 C ATOM 668 C ILE A 63 1.613 -18.169 25.081 1.00 0.00 C ATOM 669 O ILE A 63 1.841 -18.840 24.074 1.00 0.00 O ATOM 670 CB ILE A 63 -0.667 -17.507 25.834 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.880 -17.937 26.666 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.066 -17.434 24.357 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.340 -19.335 26.238 1.00 0.00 C ATOM 0 H ILE A 63 0.449 -17.845 27.995 1.00 0.00 H new ATOM 0 HA ILE A 63 0.104 -19.528 25.757 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.323 -16.528 26.168 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.623 -17.938 27.725 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.692 -17.222 26.536 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.868 -16.707 24.232 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.205 -17.130 23.762 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.409 -18.414 24.024 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.202 -19.633 26.834 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.616 -19.320 25.184 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.529 -20.048 26.391 1.00 0.00 H new ATOM 685 N ALA A 64 2.345 -17.119 25.430 1.00 0.00 N ATOM 686 CA ALA A 64 3.476 -16.685 24.620 1.00 0.00 C ATOM 687 C ALA A 64 4.591 -17.725 24.659 1.00 0.00 C ATOM 688 O ALA A 64 5.502 -17.704 23.830 1.00 0.00 O ATOM 689 CB ALA A 64 4.004 -15.345 25.133 1.00 0.00 C ATOM 0 H ALA A 64 2.178 -16.555 26.263 1.00 0.00 H new ATOM 0 HA ALA A 64 3.139 -16.569 23.590 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.849 -15.029 24.522 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.214 -14.596 25.075 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.326 -15.453 26.169 1.00 0.00 H new ATOM 695 N ARG A 65 4.517 -18.628 25.630 1.00 0.00 N ATOM 696 CA ARG A 65 5.525 -19.674 25.768 1.00 0.00 C ATOM 697 C ARG A 65 5.227 -20.837 24.826 1.00 0.00 C ATOM 698 O ARG A 65 6.119 -21.340 24.144 1.00 0.00 O ATOM 699 CB ARG A 65 5.562 -20.175 27.211 1.00 0.00 C ATOM 700 CG ARG A 65 6.683 -21.205 27.366 1.00 0.00 C ATOM 701 CD ARG A 65 6.705 -21.724 28.804 1.00 0.00 C ATOM 702 NE ARG A 65 7.105 -20.661 29.718 1.00 0.00 N ATOM 703 CZ ARG A 65 7.175 -20.873 31.028 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.535 -19.905 31.828 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.883 -22.047 31.517 1.00 0.00 N ATOM 0 H ARG A 65 3.775 -18.658 26.329 1.00 0.00 H new ATOM 0 HA ARG A 65 6.496 -19.254 25.506 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.724 -19.340 27.893 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.604 -20.622 27.477 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.530 -22.032 26.672 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.643 -20.753 27.117 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.718 -22.097 29.079 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.397 -22.562 28.885 1.00 0.00 H new ATOM 0 HE ARG A 65 7.335 -19.740 29.346 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.762 -18.986 31.447 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.589 -20.068 32.834 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.601 -22.803 30.894 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.937 -22.208 32.523 1.00 0.00 H new ATOM 719 N ILE A 66 3.968 -21.262 24.801 1.00 0.00 N ATOM 720 CA ILE A 66 3.559 -22.365 23.941 1.00 0.00 C ATOM 721 C ILE A 66 3.295 -21.872 22.524 1.00 0.00 C ATOM 722 O ILE A 66 3.282 -22.652 21.580 1.00 0.00 O ATOM 723 CB ILE A 66 2.301 -23.028 24.502 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.628 -23.686 25.846 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.805 -24.094 23.522 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.330 -24.113 26.532 1.00 0.00 C ATOM 0 H ILE A 66 3.217 -20.861 25.363 1.00 0.00 H new ATOM 0 HA ILE A 66 4.367 -23.096 23.911 1.00 0.00 H new ATOM 0 HB ILE A 66 1.526 -22.275 24.643 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.273 -24.551 25.692 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.176 -22.989 26.481 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.908 -24.567 23.922 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.573 -23.628 22.564 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.580 -24.847 23.381 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.561 -24.581 27.489 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.702 -23.238 26.699 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.800 -24.824 25.898 1.00 0.00 H new ATOM 738 N GLY A 67 3.077 -20.570 22.386 1.00 0.00 N ATOM 739 CA GLY A 67 2.808 -19.984 21.077 1.00 0.00 C ATOM 740 C GLY A 67 4.097 -19.834 20.276 1.00 0.00 C ATOM 741 O GLY A 67 4.072 -19.636 19.068 1.00 0.00 O ATOM 0 H GLY A 67 3.081 -19.903 23.158 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.105 -20.612 20.530 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.335 -19.010 21.200 1.00 0.00 H new ATOM 745 N TYR A 68 5.228 -19.921 20.959 1.00 0.00 N ATOM 746 CA TYR A 68 6.524 -19.793 20.296 1.00 0.00 C ATOM 747 C TYR A 68 7.287 -21.110 20.355 1.00 0.00 C ATOM 748 O TYR A 68 8.347 -21.251 19.746 1.00 0.00 O ATOM 749 CB TYR A 68 7.345 -18.692 20.966 1.00 0.00 C ATOM 750 CG TYR A 68 8.761 -18.730 20.439 1.00 0.00 C ATOM 751 CD1 TYR A 68 9.022 -18.393 19.105 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.812 -19.104 21.285 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.334 -18.430 18.618 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.124 -19.140 20.799 1.00 0.00 C ATOM 755 CZ TYR A 68 11.385 -18.802 19.465 1.00 0.00 C ATOM 756 OH TYR A 68 12.678 -18.838 18.984 1.00 0.00 O ATOM 0 H TYR A 68 5.279 -20.079 21.965 1.00 0.00 H new ATOM 0 HA TYR A 68 6.354 -19.533 19.251 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.898 -17.718 20.768 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.344 -18.829 22.047 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.211 -18.105 18.452 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.610 -19.365 22.313 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.535 -18.172 17.589 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.935 -19.428 21.452 1.00 0.00 H new ATOM 0 HH TYR A 68 13.286 -19.115 19.701 1.00 0.00 H new ATOM 766 N GLU A 69 6.743 -22.072 21.093 1.00 0.00 N ATOM 767 CA GLU A 69 7.384 -23.378 21.227 1.00 0.00 C ATOM 768 C GLU A 69 6.587 -24.444 20.486 1.00 0.00 C ATOM 769 O GLU A 69 6.922 -25.626 20.537 1.00 0.00 O ATOM 770 CB GLU A 69 7.498 -23.754 22.705 1.00 0.00 C ATOM 771 CG GLU A 69 8.494 -22.820 23.395 1.00 0.00 C ATOM 772 CD GLU A 69 8.548 -23.127 24.887 1.00 0.00 C ATOM 773 OE1 GLU A 69 7.851 -24.034 25.311 1.00 0.00 O ATOM 774 OE2 GLU A 69 9.286 -22.450 25.585 1.00 0.00 O ATOM 0 H GLU A 69 5.866 -21.975 21.605 1.00 0.00 H new ATOM 0 HA GLU A 69 8.381 -23.320 20.791 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.522 -23.681 23.186 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.826 -24.789 22.803 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.484 -22.941 22.954 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.200 -21.782 23.239 1.00 0.00 H new ATOM 781 N ASP A 70 5.530 -24.018 19.800 1.00 0.00 N ATOM 782 CA ASP A 70 4.692 -24.948 19.050 1.00 0.00 C ATOM 783 C ASP A 70 4.207 -24.308 17.755 1.00 0.00 C ATOM 784 O ASP A 70 4.259 -24.922 16.690 1.00 0.00 O ATOM 785 CB ASP A 70 3.488 -25.367 19.898 1.00 0.00 C ATOM 786 CG ASP A 70 3.930 -26.324 21.000 1.00 0.00 C ATOM 787 OD1 ASP A 70 5.019 -26.862 20.886 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.174 -26.506 21.940 1.00 0.00 O ATOM 0 H ASP A 70 5.235 -23.043 19.748 1.00 0.00 H new ATOM 0 HA ASP A 70 5.287 -25.828 18.805 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.019 -24.487 20.337 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.739 -25.847 19.268 1.00 0.00 H new ATOM 793 N GLU A 71 3.734 -23.068 17.854 1.00 0.00 N ATOM 794 CA GLU A 71 3.239 -22.358 16.680 1.00 0.00 C ATOM 795 C GLU A 71 4.387 -21.670 15.950 1.00 0.00 C ATOM 796 O GLU A 71 4.279 -21.353 14.765 1.00 0.00 O ATOM 797 CB GLU A 71 2.200 -21.316 17.102 1.00 0.00 C ATOM 798 CG GLU A 71 1.028 -22.011 17.791 1.00 0.00 C ATOM 799 CD GLU A 71 0.343 -22.978 16.830 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.541 -22.825 15.636 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.363 -23.855 17.299 1.00 0.00 O ATOM 0 H GLU A 71 3.684 -22.540 18.725 1.00 0.00 H new ATOM 0 HA GLU A 71 2.776 -23.080 16.007 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.652 -20.589 17.777 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.848 -20.765 16.230 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.382 -22.551 18.669 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.312 -21.268 18.141 1.00 0.00 H new ATOM 808 N GLY A 72 5.484 -21.440 16.663 1.00 0.00 N ATOM 809 CA GLY A 72 6.645 -20.790 16.070 1.00 0.00 C ATOM 810 C GLY A 72 6.329 -19.344 15.706 1.00 0.00 C ATOM 811 O GLY A 72 6.860 -18.808 14.733 1.00 0.00 O ATOM 0 H GLY A 72 5.593 -21.692 17.645 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.481 -20.819 16.769 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.956 -21.334 15.178 1.00 0.00 H new ATOM 893 N GLU A 78 5.642 -10.993 28.176 1.00 0.00 N ATOM 894 CA GLU A 78 4.339 -11.087 28.828 1.00 0.00 C ATOM 895 C GLU A 78 3.458 -9.914 28.419 1.00 0.00 C ATOM 896 O GLU A 78 2.291 -10.088 28.067 1.00 0.00 O ATOM 897 CB GLU A 78 4.519 -11.079 30.348 1.00 0.00 C ATOM 898 CG GLU A 78 5.205 -12.372 30.787 1.00 0.00 C ATOM 899 CD GLU A 78 5.474 -12.338 32.287 1.00 0.00 C ATOM 900 OE1 GLU A 78 5.123 -11.348 32.909 1.00 0.00 O ATOM 901 OE2 GLU A 78 6.026 -13.301 32.792 1.00 0.00 O ATOM 0 HA GLU A 78 3.861 -12.017 28.520 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.115 -10.218 30.650 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.551 -10.984 30.839 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.576 -13.228 30.542 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.142 -12.498 30.244 1.00 0.00 H new ATOM 908 N SER A 79 4.032 -8.717 28.459 1.00 0.00 N ATOM 909 CA SER A 79 3.297 -7.511 28.092 1.00 0.00 C ATOM 910 C SER A 79 2.723 -7.633 26.684 1.00 0.00 C ATOM 911 O SER A 79 1.528 -7.420 26.474 1.00 0.00 O ATOM 912 CB SER A 79 4.244 -6.307 28.143 1.00 0.00 C ATOM 913 OG SER A 79 3.480 -5.112 28.230 1.00 0.00 O ATOM 0 H SER A 79 4.999 -8.555 28.740 1.00 0.00 H new ATOM 0 HA SER A 79 2.475 -7.378 28.796 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.910 -6.390 29.002 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.873 -6.286 27.253 1.00 0.00 H new ATOM 0 HG SER A 79 4.083 -4.340 28.265 1.00 0.00 H new ATOM 919 N ALA A 80 3.571 -7.988 25.726 1.00 0.00 N ATOM 920 CA ALA A 80 3.128 -8.141 24.345 1.00 0.00 C ATOM 921 C ALA A 80 1.997 -9.159 24.257 1.00 0.00 C ATOM 922 O ALA A 80 1.155 -9.085 23.366 1.00 0.00 O ATOM 923 CB ALA A 80 4.297 -8.595 23.469 1.00 0.00 C ATOM 0 H ALA A 80 4.562 -8.174 25.878 1.00 0.00 H new ATOM 0 HA ALA A 80 2.763 -7.177 23.990 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.958 -8.707 22.439 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.093 -7.851 23.510 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.674 -9.551 23.833 1.00 0.00 H new ATOM 929 N CYS A 81 1.986 -10.106 25.188 1.00 0.00 N ATOM 930 CA CYS A 81 0.953 -11.133 25.210 1.00 0.00 C ATOM 931 C CYS A 81 -0.384 -10.546 25.650 1.00 0.00 C ATOM 932 O CYS A 81 -1.423 -11.200 25.557 1.00 0.00 O ATOM 933 CB CYS A 81 1.359 -12.260 26.151 1.00 0.00 C ATOM 934 SG CYS A 81 0.264 -13.684 25.889 1.00 0.00 S ATOM 0 H CYS A 81 2.677 -10.184 25.934 1.00 0.00 H new ATOM 0 HA CYS A 81 0.841 -11.529 24.201 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.395 -12.545 25.970 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.297 -11.925 27.186 1.00 0.00 H new ATOM 0 HG CYS A 81 0.712 -14.705 26.558 1.00 0.00 H new ATOM 940 N ARG A 82 -0.350 -9.307 26.131 1.00 0.00 N ATOM 941 CA ARG A 82 -1.561 -8.638 26.583 1.00 0.00 C ATOM 942 C ARG A 82 -1.997 -7.587 25.581 1.00 0.00 C ATOM 943 O ARG A 82 -3.159 -7.229 25.547 1.00 0.00 O ATOM 944 CB ARG A 82 -1.325 -7.980 27.943 1.00 0.00 C ATOM 945 CG ARG A 82 -1.190 -9.062 29.016 1.00 0.00 C ATOM 946 CD ARG A 82 -1.142 -8.406 30.398 1.00 0.00 C ATOM 947 NE ARG A 82 0.081 -7.630 30.550 1.00 0.00 N ATOM 948 CZ ARG A 82 1.203 -8.194 30.984 1.00 0.00 C ATOM 949 NH1 ARG A 82 2.288 -7.477 31.110 1.00 0.00 N ATOM 950 NH2 ARG A 82 1.222 -9.464 31.284 1.00 0.00 N ATOM 0 H ARG A 82 0.500 -8.750 26.217 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.348 -9.386 26.675 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.423 -7.369 27.912 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.153 -7.314 28.185 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.031 -9.753 28.959 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.285 -9.646 28.847 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.009 -7.759 30.531 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.193 -9.171 31.173 1.00 0.00 H new ATOM 0 HE ARG A 82 0.076 -6.636 30.319 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.274 -6.484 30.875 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.149 -7.910 31.443 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.375 -10.024 31.185 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.084 -9.897 31.617 1.00 0.00 H new ATOM 964 N ASN A 83 -1.054 -7.098 24.782 1.00 0.00 N ATOM 965 CA ASN A 83 -1.355 -6.084 23.776 1.00 0.00 C ATOM 966 C ASN A 83 -1.846 -6.735 22.485 1.00 0.00 C ATOM 967 O ASN A 83 -2.837 -6.303 21.897 1.00 0.00 O ATOM 968 CB ASN A 83 -0.109 -5.247 23.491 1.00 0.00 C ATOM 969 CG ASN A 83 0.392 -4.605 24.781 1.00 0.00 C ATOM 970 OD1 ASN A 83 -0.364 -3.919 25.470 1.00 0.00 O ATOM 971 ND2 ASN A 83 1.630 -4.788 25.151 1.00 0.00 N ATOM 0 H ASN A 83 -0.076 -7.387 24.811 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.144 -5.438 24.162 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.671 -5.875 23.060 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.339 -4.476 22.756 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.973 -4.363 26.012 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.255 -5.356 24.579 1.00 0.00 H new ATOM 978 N GLN A 84 -1.136 -7.771 22.047 1.00 0.00 N ATOM 979 CA GLN A 84 -1.501 -8.470 20.819 1.00 0.00 C ATOM 980 C GLN A 84 -2.928 -9.006 20.908 1.00 0.00 C ATOM 981 O GLN A 84 -3.794 -8.621 20.125 1.00 0.00 O ATOM 982 CB GLN A 84 -0.530 -9.630 20.573 1.00 0.00 C ATOM 983 CG GLN A 84 -0.632 -10.639 21.714 1.00 0.00 C ATOM 984 CD GLN A 84 0.611 -11.510 21.756 1.00 0.00 C ATOM 985 OE1 GLN A 84 0.537 -12.715 21.510 1.00 0.00 O ATOM 986 NE2 GLN A 84 1.760 -10.973 22.059 1.00 0.00 N ATOM 0 H GLN A 84 -0.312 -8.142 22.519 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.444 -7.765 19.990 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.761 -10.115 19.625 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.490 -9.253 20.498 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.750 -10.115 22.663 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.517 -11.261 21.581 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.819 -9.975 22.262 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.600 -11.551 22.093 1.00 0.00 H new ATOM 995 N ILE A 85 -3.169 -9.884 21.876 1.00 0.00 N ATOM 996 CA ILE A 85 -4.487 -10.463 22.066 1.00 0.00 C ATOM 997 C ILE A 85 -5.526 -9.368 22.228 1.00 0.00 C ATOM 998 O ILE A 85 -6.637 -9.473 21.709 1.00 0.00 O ATOM 999 CB ILE A 85 -4.490 -11.384 23.288 1.00 0.00 C ATOM 1000 CG1 ILE A 85 -3.928 -12.758 22.907 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.920 -11.548 23.805 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.696 -13.584 24.171 1.00 0.00 C ATOM 0 H ILE A 85 -2.466 -10.208 22.540 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.739 -11.053 21.185 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.868 -10.943 24.067 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.622 -13.275 22.244 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.993 -12.641 22.360 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.919 -12.204 24.675 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.319 -10.573 24.086 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.542 -11.983 23.023 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.296 -14.561 23.899 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.986 -13.068 24.817 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.640 -13.713 24.700 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.165 -8.327 22.958 1.00 0.00 N ATOM 1015 CA ILE A 86 -6.088 -7.225 23.180 1.00 0.00 C ATOM 1016 C ILE A 86 -6.437 -6.551 21.858 1.00 0.00 C ATOM 1017 O ILE A 86 -7.583 -6.214 21.610 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.457 -6.192 24.140 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -6.057 -6.349 25.546 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.697 -4.758 23.630 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.696 -5.128 26.403 1.00 0.00 C ATOM 0 H ILE A 86 -4.253 -8.220 23.402 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.000 -7.621 23.627 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.383 -6.372 24.182 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.140 -6.451 25.480 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.679 -7.258 26.014 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.245 -4.046 24.320 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.248 -4.643 22.644 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.769 -4.570 23.565 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.123 -5.243 27.399 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.612 -5.046 26.481 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.096 -4.227 25.939 1.00 0.00 H new ATOM 1033 N SER A 87 -5.428 -6.311 21.039 1.00 0.00 N ATOM 1034 CA SER A 87 -5.647 -5.637 19.763 1.00 0.00 C ATOM 1035 C SER A 87 -6.640 -6.424 18.920 1.00 0.00 C ATOM 1036 O SER A 87 -7.553 -5.852 18.325 1.00 0.00 O ATOM 1037 CB SER A 87 -4.322 -5.513 19.012 1.00 0.00 C ATOM 1038 OG SER A 87 -4.588 -5.204 17.651 1.00 0.00 O ATOM 0 H SER A 87 -4.459 -6.567 21.227 1.00 0.00 H new ATOM 0 HA SER A 87 -6.051 -4.643 19.953 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.706 -4.734 19.461 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.760 -6.444 19.084 1.00 0.00 H new ATOM 0 HG SER A 87 -3.742 -5.121 17.163 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.458 -7.742 18.883 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.345 -8.604 18.115 1.00 0.00 C ATOM 1046 C ILE A 88 -8.797 -8.413 18.573 1.00 0.00 C ATOM 1047 O ILE A 88 -9.735 -8.614 17.823 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.954 -10.063 18.301 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.546 -10.285 17.749 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.945 -10.959 17.545 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -5.053 -11.676 18.150 1.00 0.00 C ATOM 0 H ILE A 88 -5.709 -8.231 19.373 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.256 -8.335 17.062 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.974 -10.313 19.362 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.550 -10.188 16.663 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.869 -9.523 18.134 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.665 -12.004 17.678 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.950 -10.800 17.935 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.924 -10.710 16.484 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.049 -11.834 17.756 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.033 -11.756 19.237 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.725 -12.432 17.743 1.00 0.00 H new ATOM 1063 N MET A 89 -8.982 -8.044 19.819 1.00 0.00 N ATOM 1064 CA MET A 89 -10.333 -7.834 20.335 1.00 0.00 C ATOM 1065 C MET A 89 -10.962 -6.584 19.719 1.00 0.00 C ATOM 1066 O MET A 89 -12.070 -6.632 19.184 1.00 0.00 O ATOM 1067 CB MET A 89 -10.280 -7.673 21.854 1.00 0.00 C ATOM 1068 CG MET A 89 -10.033 -9.033 22.505 1.00 0.00 C ATOM 1069 SD MET A 89 -11.454 -10.111 22.209 1.00 0.00 S ATOM 1070 CE MET A 89 -12.604 -9.281 23.333 1.00 0.00 C ATOM 0 H MET A 89 -8.233 -7.883 20.493 1.00 0.00 H new ATOM 0 HA MET A 89 -10.941 -8.699 20.071 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.487 -6.978 22.129 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.216 -7.249 22.218 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.129 -9.485 22.096 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.872 -8.911 23.576 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.369 -9.986 23.657 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.060 -8.912 24.202 1.00 0.00 H new ATOM 0 HE3 MET A 89 -13.076 -8.444 22.818 1.00 0.00 H new ATOM 1080 N ARG A 90 -10.240 -5.468 19.785 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.742 -4.211 19.237 1.00 0.00 C ATOM 1082 C ARG A 90 -11.249 -4.423 17.815 1.00 0.00 C ATOM 1083 O ARG A 90 -12.294 -3.897 17.437 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.623 -3.166 19.230 1.00 0.00 C ATOM 1085 CG ARG A 90 -10.184 -1.822 18.764 1.00 0.00 C ATOM 1086 CD ARG A 90 -9.058 -0.789 18.702 1.00 0.00 C ATOM 1087 NE ARG A 90 -8.101 -1.148 17.662 1.00 0.00 N ATOM 1088 CZ ARG A 90 -7.140 -0.308 17.293 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.296 -0.651 16.359 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -7.041 0.862 17.865 1.00 0.00 N ATOM 0 H ARG A 90 -9.314 -5.408 20.208 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.564 -3.859 19.860 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.196 -3.068 20.228 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.817 -3.485 18.569 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.646 -1.930 17.783 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.963 -1.485 19.448 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.472 0.199 18.500 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.553 -0.732 19.667 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.171 -2.060 17.210 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.374 -1.564 15.912 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.558 -0.006 16.076 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.701 1.130 18.595 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.303 1.507 17.582 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.508 -5.195 17.034 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.901 -5.480 15.656 1.00 0.00 C ATOM 1106 C VAL A 91 -12.146 -6.357 15.614 1.00 0.00 C ATOM 1107 O VAL A 91 -13.028 -6.162 14.777 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.752 -6.166 14.906 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -8.634 -5.151 14.631 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -9.199 -7.291 15.752 1.00 0.00 C ATOM 0 H VAL A 91 -9.635 -5.635 17.326 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.131 -4.533 15.168 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.127 -6.562 13.962 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.820 -5.642 14.098 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.025 -4.335 14.024 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.262 -4.754 15.576 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.382 -7.779 15.220 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.828 -6.889 16.695 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.987 -8.017 15.952 1.00 0.00 H new ATOM 1120 N TYR A 92 -12.208 -7.325 16.520 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.347 -8.229 16.583 1.00 0.00 C ATOM 1122 C TYR A 92 -14.617 -7.461 16.912 1.00 0.00 C ATOM 1123 O TYR A 92 -15.664 -7.719 16.337 1.00 0.00 O ATOM 1124 CB TYR A 92 -13.106 -9.310 17.636 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.348 -10.156 17.786 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.677 -11.100 16.807 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -15.171 -9.992 18.907 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.830 -11.883 16.949 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.324 -10.775 19.049 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.653 -11.720 18.070 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.789 -12.491 18.210 1.00 0.00 O ATOM 0 H TYR A 92 -11.486 -7.503 17.218 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.465 -8.703 15.608 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.261 -9.934 17.344 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.849 -8.851 18.591 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -14.042 -11.225 15.942 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.917 -9.262 19.662 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.084 -12.612 16.194 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.959 -10.650 19.914 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.246 -12.252 19.044 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.515 -6.522 17.846 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.666 -5.721 18.248 1.00 0.00 C ATOM 1143 C GLU A 93 -16.026 -4.711 17.163 1.00 0.00 C ATOM 1144 O GLU A 93 -17.202 -4.426 16.930 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.362 -4.990 19.555 1.00 0.00 C ATOM 1146 CG GLU A 93 -15.209 -6.010 20.687 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.551 -6.677 20.977 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.543 -6.233 20.423 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.566 -7.623 21.747 1.00 0.00 O ATOM 0 H GLU A 93 -13.650 -6.297 18.338 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.515 -6.389 18.396 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.448 -4.405 19.453 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.165 -4.290 19.788 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.472 -6.764 20.411 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.838 -5.516 21.585 1.00 0.00 H new ATOM 1156 N GLN A 94 -15.005 -4.166 16.507 1.00 0.00 N ATOM 1157 CA GLN A 94 -15.227 -3.185 15.452 1.00 0.00 C ATOM 1158 C GLN A 94 -15.953 -3.817 14.271 1.00 0.00 C ATOM 1159 O GLN A 94 -16.994 -3.326 13.837 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.886 -2.614 14.982 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.414 -1.539 15.962 1.00 0.00 C ATOM 1162 CD GLN A 94 -12.027 -1.045 15.568 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -11.334 -1.711 14.684 1.00 0.00 O flip ATOM 1164 NE2 GLN A 94 -11.559 -0.028 16.079 1.00 0.00 N flip ATOM 0 H GLN A 94 -14.025 -4.385 16.686 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.846 -2.383 15.854 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -13.144 -3.410 14.914 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.990 -2.190 13.983 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -14.117 -0.706 15.967 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.391 -1.943 16.974 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.101 0.492 16.769 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.629 0.295 15.812 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.402 -4.911 13.759 1.00 0.00 N ATOM 1174 CA ARG A 95 -16.006 -5.605 12.627 1.00 0.00 C ATOM 1175 C ARG A 95 -17.300 -6.293 13.052 1.00 0.00 C ATOM 1176 O ARG A 95 -18.071 -6.767 12.219 1.00 0.00 O ATOM 1177 CB ARG A 95 -15.027 -6.635 12.061 1.00 0.00 C ATOM 1178 CG ARG A 95 -15.620 -7.267 10.799 1.00 0.00 C ATOM 1179 CD ARG A 95 -14.586 -8.184 10.152 1.00 0.00 C ATOM 1180 NE ARG A 95 -15.082 -8.678 8.872 1.00 0.00 N ATOM 1181 CZ ARG A 95 -15.796 -9.796 8.796 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -16.228 -10.217 7.639 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -16.066 -10.472 9.880 1.00 0.00 N ATOM 0 H ARG A 95 -14.542 -5.335 14.107 1.00 0.00 H new ATOM 0 HA ARG A 95 -16.239 -4.873 11.854 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -14.075 -6.157 11.828 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -14.824 -7.405 12.805 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -16.517 -7.833 11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -15.921 -6.489 10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.651 -7.643 10.004 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -14.368 -9.022 10.814 1.00 0.00 H new ATOM 0 HE ARG A 95 -14.877 -8.156 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -16.018 -9.688 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.776 -11.075 7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.729 -10.142 10.784 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.614 -11.330 9.823 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.535 -6.342 14.357 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.743 -6.963 14.885 1.00 0.00 C ATOM 1199 C LEU A 96 -19.934 -6.020 14.777 1.00 0.00 C ATOM 1200 O LEU A 96 -21.063 -6.452 14.549 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.533 -7.372 16.342 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.836 -7.914 16.922 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.339 -9.070 16.056 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.588 -8.416 18.346 1.00 0.00 C ATOM 0 H LEU A 96 -16.909 -5.961 15.066 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.954 -7.852 14.290 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.753 -8.130 16.407 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.194 -6.515 16.924 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.584 -7.121 16.939 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.270 -9.457 16.471 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.514 -8.715 15.041 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.592 -9.864 16.039 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.518 -8.804 18.762 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.840 -9.209 18.327 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.229 -7.593 18.964 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.675 -4.731 14.966 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.736 -3.734 14.903 1.00 0.00 C ATOM 1218 C ALA A 97 -21.006 -3.332 13.459 1.00 0.00 C ATOM 1219 O ALA A 97 -22.120 -2.939 13.112 1.00 0.00 O ATOM 1220 CB ALA A 97 -20.337 -2.496 15.711 1.00 0.00 C ATOM 0 H ALA A 97 -18.748 -4.355 15.162 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.643 -4.168 15.325 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.135 -1.755 15.659 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.171 -2.778 16.751 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.421 -2.072 15.299 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.980 -3.431 12.621 1.00 0.00 N ATOM 1227 CA HIS A 98 -20.119 -3.071 11.215 1.00 0.00 C ATOM 1228 C HIS A 98 -20.957 -4.104 10.475 1.00 0.00 C ATOM 1229 O HIS A 98 -20.642 -5.294 10.479 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.738 -2.971 10.564 1.00 0.00 C ATOM 1231 CG HIS A 98 -18.052 -1.717 11.031 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -17.429 -1.631 12.266 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -17.881 -0.489 10.440 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -16.918 -0.392 12.379 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -17.165 0.346 11.293 1.00 0.00 N ATOM 0 H HIS A 98 -19.050 -3.755 12.888 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.621 -2.105 11.156 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -18.138 -3.844 10.823 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.836 -2.962 9.478 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -17.369 -2.373 12.963 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.247 -0.213 9.462 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -16.374 -0.037 13.242 1.00 0.00 H new ATOM 1343 N THR A 105 -17.608 -13.229 2.865 1.00 0.00 N ATOM 1344 CA THR A 105 -17.608 -14.365 3.782 1.00 0.00 C ATOM 1345 C THR A 105 -16.457 -15.311 3.462 1.00 0.00 C ATOM 1346 O THR A 105 -16.271 -15.714 2.314 1.00 0.00 O ATOM 1347 CB THR A 105 -18.935 -15.121 3.677 1.00 0.00 C ATOM 1348 OG1 THR A 105 -19.997 -14.264 4.076 1.00 0.00 O ATOM 1349 CG2 THR A 105 -18.897 -16.349 4.586 1.00 0.00 C ATOM 0 HA THR A 105 -17.483 -13.988 4.797 1.00 0.00 H new ATOM 0 HB THR A 105 -19.093 -15.441 2.647 1.00 0.00 H new ATOM 0 HG1 THR A 105 -19.749 -13.332 3.901 1.00 0.00 H new ATOM 0 HG21 THR A 105 -19.842 -16.887 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 105 -18.081 -17.004 4.279 1.00 0.00 H new ATOM 0 HG23 THR A 105 -18.740 -16.033 5.617 1.00 0.00 H new ATOM 1357 N THR A 106 -15.682 -15.660 4.487 1.00 0.00 N ATOM 1358 CA THR A 106 -14.551 -16.560 4.302 1.00 0.00 C ATOM 1359 C THR A 106 -14.425 -17.518 5.490 1.00 0.00 C ATOM 1360 O THR A 106 -14.941 -17.252 6.575 1.00 0.00 O ATOM 1361 CB THR A 106 -13.255 -15.745 4.146 1.00 0.00 C ATOM 1362 OG1 THR A 106 -13.442 -14.455 4.704 1.00 0.00 O ATOM 1363 CG2 THR A 106 -12.903 -15.611 2.663 1.00 0.00 C ATOM 0 H THR A 106 -15.816 -15.336 5.445 1.00 0.00 H new ATOM 0 HA THR A 106 -14.718 -17.148 3.399 1.00 0.00 H new ATOM 0 HB THR A 106 -12.443 -16.256 4.664 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.778 -13.846 4.014 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.985 -15.033 2.558 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.760 -16.602 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.714 -15.102 2.141 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.746 -18.618 5.294 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.539 -19.640 6.363 1.00 0.00 C ATOM 1373 C PRO A 107 -12.544 -19.175 7.424 1.00 0.00 C ATOM 1374 O PRO A 107 -12.716 -19.453 8.612 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.996 -20.853 5.601 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.368 -20.303 4.363 1.00 0.00 C ATOM 1377 CD PRO A 107 -13.105 -19.010 4.029 1.00 0.00 C ATOM 0 HA PRO A 107 -14.457 -19.849 6.912 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.267 -21.398 6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.796 -21.552 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.306 -20.113 4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.446 -21.015 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.418 -18.241 3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.842 -19.165 3.241 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.506 -18.470 6.989 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.491 -17.976 7.913 1.00 0.00 C ATOM 1387 C GLU A 108 -11.073 -16.905 8.826 1.00 0.00 C ATOM 1388 O GLU A 108 -10.918 -16.963 10.046 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.311 -17.393 7.131 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.607 -18.508 6.353 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.274 -18.703 4.996 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.284 -18.062 4.759 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.767 -19.491 4.216 1.00 0.00 O ATOM 0 H GLU A 108 -11.345 -18.229 6.011 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.147 -18.811 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.662 -16.623 6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.610 -16.915 7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.555 -18.258 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.643 -19.437 6.921 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.752 -15.930 8.231 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.354 -14.852 9.003 1.00 0.00 C ATOM 1402 C GLU A 109 -13.427 -15.404 9.936 1.00 0.00 C ATOM 1403 O GLU A 109 -13.638 -14.886 11.033 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.970 -13.812 8.060 1.00 0.00 C ATOM 1405 CG GLU A 109 -14.213 -14.394 7.384 1.00 0.00 C ATOM 1406 CD GLU A 109 -14.859 -13.344 6.490 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -14.131 -12.591 5.866 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -16.077 -13.313 6.441 1.00 0.00 O ATOM 0 H GLU A 109 -11.898 -15.865 7.224 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.577 -14.376 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.236 -12.914 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.241 -13.515 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.940 -15.268 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.925 -14.729 8.139 1.00 0.00 H new ATOM 1415 N ASP A 110 -14.125 -16.441 9.477 1.00 0.00 N ATOM 1416 CA ASP A 110 -15.179 -17.050 10.277 1.00 0.00 C ATOM 1417 C ASP A 110 -14.605 -17.705 11.522 1.00 0.00 C ATOM 1418 O ASP A 110 -15.111 -17.513 12.627 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.932 -18.096 9.441 1.00 0.00 C ATOM 1420 CG ASP A 110 -17.021 -17.426 8.601 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.411 -16.324 8.949 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.448 -18.025 7.628 1.00 0.00 O ATOM 0 H ASP A 110 -13.980 -16.872 8.564 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.870 -16.266 10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.233 -18.621 8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.379 -18.843 10.098 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.536 -18.475 11.339 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.901 -19.159 12.460 1.00 0.00 C ATOM 1429 C GLU A 111 -12.437 -18.154 13.507 1.00 0.00 C ATOM 1430 O GLU A 111 -12.755 -18.284 14.689 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.696 -19.963 11.962 1.00 0.00 C ATOM 1432 CG GLU A 111 -11.075 -20.727 13.133 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.899 -21.565 12.643 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.785 -21.744 11.441 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.131 -22.015 13.476 1.00 0.00 O ATOM 0 H GLU A 111 -13.095 -18.640 10.434 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.631 -19.831 12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.006 -20.659 11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.958 -19.295 11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.740 -20.027 13.898 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.823 -21.371 13.596 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.699 -17.142 13.065 1.00 0.00 N ATOM 1443 CA LEU A 112 -11.204 -16.122 13.980 1.00 0.00 C ATOM 1444 C LEU A 112 -12.356 -15.532 14.785 1.00 0.00 C ATOM 1445 O LEU A 112 -12.237 -15.331 15.994 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.508 -15.008 13.187 1.00 0.00 C ATOM 1447 CG LEU A 112 -10.170 -13.838 14.119 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -9.130 -14.289 15.146 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.617 -12.679 13.298 1.00 0.00 C ATOM 0 H LEU A 112 -11.433 -17.007 12.090 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.491 -16.581 14.665 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.598 -15.392 12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.155 -14.666 12.379 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.071 -13.512 14.639 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.889 -13.458 15.809 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.532 -15.116 15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.227 -14.615 14.630 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.376 -11.847 13.959 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.715 -13.000 12.776 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.363 -12.360 12.570 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.459 -15.243 14.111 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.619 -14.661 14.781 1.00 0.00 C ATOM 1463 C ASP A 113 -15.115 -15.596 15.880 1.00 0.00 C ATOM 1464 O ASP A 113 -15.421 -15.154 16.987 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.738 -14.425 13.760 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.545 -13.072 13.068 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.838 -12.244 13.618 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -16.103 -12.889 11.998 1.00 0.00 O ATOM 0 H ASP A 113 -13.578 -15.399 13.110 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.330 -13.710 15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.739 -15.224 13.019 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.707 -14.452 14.259 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.194 -16.884 15.567 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.657 -17.867 16.540 1.00 0.00 C ATOM 1475 C GLN A 114 -14.718 -17.914 17.740 1.00 0.00 C ATOM 1476 O GLN A 114 -15.164 -17.910 18.888 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.724 -19.250 15.890 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.801 -19.254 14.803 1.00 0.00 C ATOM 1479 CD GLN A 114 -18.173 -19.017 15.429 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -18.559 -19.720 16.362 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -18.934 -18.063 14.966 1.00 0.00 N ATOM 0 H GLN A 114 -14.946 -17.270 14.656 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.651 -17.575 16.881 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.757 -19.508 15.459 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.949 -20.006 16.642 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.589 -18.479 14.066 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.793 -20.207 14.274 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.610 -17.482 14.192 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -19.852 -17.898 15.378 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.420 -17.960 17.470 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.430 -18.014 18.538 1.00 0.00 C ATOM 1492 C LEU A 115 -12.561 -16.796 19.445 1.00 0.00 C ATOM 1493 O LEU A 115 -12.488 -16.911 20.669 1.00 0.00 O ATOM 1494 CB LEU A 115 -11.025 -18.051 17.939 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.824 -19.361 17.175 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.482 -19.325 16.438 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.837 -20.537 18.156 1.00 0.00 C ATOM 0 H LEU A 115 -13.030 -17.961 16.528 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.601 -18.915 19.126 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.882 -17.203 17.269 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.280 -17.962 18.729 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.631 -19.484 16.453 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.340 -20.259 15.894 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.475 -18.492 15.736 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.674 -19.199 17.159 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.694 -21.469 17.609 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.033 -20.415 18.881 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.794 -20.566 18.677 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.761 -15.631 18.840 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.909 -14.400 19.608 1.00 0.00 C ATOM 1511 C CYS A 116 -14.152 -14.464 20.491 1.00 0.00 C ATOM 1512 O CYS A 116 -14.129 -14.033 21.644 1.00 0.00 O ATOM 1513 CB CYS A 116 -13.019 -13.204 18.660 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.457 -12.997 17.769 1.00 0.00 S ATOM 0 H CYS A 116 -12.824 -15.513 17.829 1.00 0.00 H new ATOM 0 HA CYS A 116 -12.031 -14.283 20.243 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.835 -13.359 17.954 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.252 -12.300 19.223 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.383 -13.875 16.813 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.235 -15.007 19.943 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.480 -15.122 20.694 1.00 0.00 C ATOM 1522 C ASP A 117 -16.282 -16.000 21.925 1.00 0.00 C ATOM 1523 O ASP A 117 -16.724 -15.656 23.022 1.00 0.00 O ATOM 1524 CB ASP A 117 -17.570 -15.726 19.805 1.00 0.00 C ATOM 1525 CG ASP A 117 -18.868 -15.867 20.593 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -19.393 -14.851 21.017 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.317 -16.989 20.761 1.00 0.00 O ATOM 0 H ASP A 117 -15.276 -15.371 18.991 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.783 -14.126 21.016 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.732 -15.093 18.933 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.251 -16.701 19.436 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.616 -17.135 21.737 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.371 -18.054 22.842 1.00 0.00 C ATOM 1534 C GLU A 118 -14.509 -17.388 23.909 1.00 0.00 C ATOM 1535 O GLU A 118 -14.804 -17.474 25.102 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.667 -19.312 22.325 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.646 -20.373 23.427 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.182 -21.707 22.856 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.174 -21.838 21.643 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.841 -22.579 23.638 1.00 0.00 O ATOM 0 H GLU A 118 -15.240 -17.438 20.839 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.329 -18.329 23.284 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.184 -19.696 21.446 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.649 -19.072 22.017 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -13.980 -20.061 24.231 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.641 -20.479 23.860 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.447 -16.720 23.473 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.552 -16.034 24.399 1.00 0.00 C ATOM 1549 C TRP A 119 -13.284 -14.902 25.111 1.00 0.00 C ATOM 1550 O TRP A 119 -13.092 -14.680 26.307 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.344 -15.477 23.646 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.556 -14.590 24.553 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.496 -13.241 24.463 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.717 -14.961 25.684 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.674 -12.761 25.467 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.170 -13.784 26.246 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.381 -16.194 26.272 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.319 -13.827 27.351 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.524 -16.242 27.385 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -7.994 -15.061 27.923 1.00 0.00 C ATOM 0 H TRP A 119 -13.185 -16.639 22.491 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.210 -16.752 25.144 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.719 -16.294 23.286 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.674 -14.918 22.770 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -11.007 -12.637 23.727 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.466 -11.773 25.614 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -9.784 -17.110 25.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -7.914 -12.914 27.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.272 -17.194 27.828 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.336 -15.104 28.778 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.117 -14.183 24.366 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.874 -13.075 24.935 1.00 0.00 C ATOM 1573 C LYS A 120 -15.807 -13.571 26.032 1.00 0.00 C ATOM 1574 O LYS A 120 -16.004 -12.898 27.043 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.687 -12.381 23.840 1.00 0.00 C ATOM 1576 CG LYS A 120 -16.375 -11.144 24.421 1.00 0.00 C ATOM 1577 CD LYS A 120 -17.147 -10.422 23.315 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.821 -9.176 23.892 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.558 -8.464 22.809 1.00 0.00 N ATOM 0 H LYS A 120 -14.284 -14.346 23.373 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.171 -12.364 25.369 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -15.035 -12.094 23.015 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.431 -13.067 23.434 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -17.054 -11.435 25.222 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.634 -10.475 24.858 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.470 -10.141 22.508 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.896 -11.088 22.886 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.508 -9.458 24.690 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -17.074 -8.516 24.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -19.031 -7.626 23.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.889 -8.168 22.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.270 -9.101 22.397 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.382 -14.752 25.824 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.296 -15.329 26.804 1.00 0.00 C ATOM 1595 C ALA A 121 -16.563 -15.652 28.099 1.00 0.00 C ATOM 1596 O ALA A 121 -17.051 -15.364 29.192 1.00 0.00 O ATOM 1597 CB ALA A 121 -17.922 -16.606 26.244 1.00 0.00 C ATOM 0 H ALA A 121 -16.233 -15.324 24.993 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.078 -14.599 27.014 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.603 -17.031 26.981 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.473 -16.372 25.333 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -17.137 -17.327 26.017 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.377 -16.234 27.972 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.590 -16.571 29.142 1.00 0.00 C ATOM 1605 C ARG A 122 -14.294 -15.314 29.957 1.00 0.00 C ATOM 1606 O ARG A 122 -14.354 -15.334 31.187 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.280 -17.262 28.705 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.076 -16.704 29.510 1.00 0.00 C ATOM 1609 CD ARG A 122 -11.091 -17.795 29.844 1.00 0.00 C ATOM 1610 NE ARG A 122 -10.360 -17.466 31.041 1.00 0.00 N ATOM 1611 CZ ARG A 122 -9.522 -16.435 31.069 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -8.866 -16.157 32.162 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -9.358 -15.699 30.005 1.00 0.00 N ATOM 0 H ARG A 122 -14.947 -16.478 27.080 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.155 -17.259 29.771 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.361 -18.338 28.859 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -13.117 -17.104 27.639 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.578 -15.925 28.932 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.434 -16.239 30.429 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -11.618 -18.739 29.981 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.398 -17.934 29.014 1.00 0.00 H new ATOM 0 HE ARG A 122 -10.488 -18.033 31.879 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -8.996 -16.731 32.995 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -8.223 -15.366 32.183 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.873 -15.915 29.151 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -8.715 -14.908 30.026 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.915 -14.250 29.268 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.559 -13.011 29.941 1.00 0.00 C ATOM 1629 C LEU A 123 -14.759 -12.474 30.700 1.00 0.00 C ATOM 1630 O LEU A 123 -14.624 -11.965 31.808 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.085 -11.976 28.918 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.709 -12.379 28.373 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.312 -11.430 27.237 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.668 -12.298 29.499 1.00 0.00 C ATOM 0 H LEU A 123 -13.846 -14.218 28.251 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.750 -13.209 30.644 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.803 -11.903 28.101 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.029 -10.991 29.382 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.753 -13.400 27.994 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.334 -11.716 26.849 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -12.051 -11.490 26.438 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.268 -10.409 27.615 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.690 -12.584 29.112 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.623 -11.278 29.880 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.951 -12.974 30.306 1.00 0.00 H new ATOM 1646 N SER A 124 -15.932 -12.595 30.093 1.00 0.00 N ATOM 1647 CA SER A 124 -17.160 -12.123 30.722 1.00 0.00 C ATOM 1648 C SER A 124 -17.503 -12.973 31.940 1.00 0.00 C ATOM 1649 O SER A 124 -17.942 -12.456 32.968 1.00 0.00 O ATOM 1650 CB SER A 124 -18.311 -12.166 29.720 1.00 0.00 C ATOM 1651 OG SER A 124 -19.367 -11.331 30.180 1.00 0.00 O ATOM 0 H SER A 124 -16.060 -13.013 29.171 1.00 0.00 H new ATOM 0 HA SER A 124 -17.005 -11.095 31.048 1.00 0.00 H new ATOM 0 HB2 SER A 124 -17.968 -11.832 28.741 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.667 -13.189 29.601 1.00 0.00 H new ATOM 0 HG SER A 124 -20.107 -11.355 29.538 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.304 -14.282 31.816 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.603 -15.197 32.911 1.00 0.00 C ATOM 1659 C GLU A 125 -16.774 -14.844 34.142 1.00 0.00 C ATOM 1660 O GLU A 125 -17.276 -14.864 35.265 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.300 -16.635 32.485 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.678 -17.593 33.616 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.417 -19.034 33.189 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -17.237 -19.256 32.003 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -17.402 -19.895 34.055 1.00 0.00 O ATOM 0 H GLU A 125 -16.940 -14.730 30.975 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.660 -15.107 33.160 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.858 -16.883 31.582 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.242 -16.739 32.244 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.100 -17.360 34.510 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.729 -17.466 33.875 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.506 -14.521 33.921 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.613 -14.158 35.016 1.00 0.00 C ATOM 1674 C LEU A 126 -15.037 -12.829 35.633 1.00 0.00 C ATOM 1675 O LEU A 126 -14.911 -12.623 36.840 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.175 -14.061 34.512 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.722 -15.432 34.004 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.332 -15.308 33.380 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.672 -16.424 35.169 1.00 0.00 C ATOM 0 H LEU A 126 -15.073 -14.503 32.998 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.671 -14.933 35.780 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.107 -13.324 33.712 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.519 -13.723 35.314 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.428 -15.791 33.256 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.008 -16.283 33.018 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.368 -14.605 32.548 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.628 -14.947 34.129 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.349 -17.399 34.803 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.968 -16.067 35.921 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.663 -16.513 35.614 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.530 -11.925 34.792 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.968 -10.615 35.263 1.00 0.00 C ATOM 1693 C GLN A 127 -17.180 -10.746 36.177 1.00 0.00 C ATOM 1694 O GLN A 127 -17.264 -10.086 37.212 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.316 -9.721 34.073 1.00 0.00 C ATOM 1696 CG GLN A 127 -15.031 -9.262 33.382 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.370 -8.466 32.126 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.543 -8.228 31.838 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.406 -8.040 31.354 1.00 0.00 N ATOM 0 H GLN A 127 -15.636 -12.073 33.788 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.152 -10.165 35.829 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.945 -10.265 33.368 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.888 -8.857 34.410 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.441 -8.649 34.063 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.420 -10.126 33.121 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.435 -8.238 31.594 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.625 -7.509 30.511 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.116 -11.604 35.788 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.323 -11.815 36.579 1.00 0.00 C ATOM 1710 C GLN A 128 -18.965 -12.258 37.992 1.00 0.00 C ATOM 1711 O GLN A 128 -19.624 -11.877 38.958 1.00 0.00 O ATOM 1712 CB GLN A 128 -20.204 -12.876 35.917 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.772 -12.326 34.607 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.596 -13.401 33.905 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -21.779 -14.494 34.441 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -22.104 -13.155 32.729 1.00 0.00 N ATOM 0 H GLN A 128 -18.064 -12.162 34.936 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.869 -10.873 36.632 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.622 -13.777 35.723 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.016 -13.159 36.587 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.393 -11.453 34.808 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.960 -11.997 33.959 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -21.951 -12.249 32.287 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -22.654 -13.869 32.252 1.00 0.00 H new ATOM 1725 N TYR A 129 -17.920 -13.070 38.106 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.489 -13.567 39.406 1.00 0.00 C ATOM 1727 C TYR A 129 -17.155 -12.409 40.339 1.00 0.00 C ATOM 1728 O TYR A 129 -17.473 -12.447 41.528 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.259 -14.465 39.242 1.00 0.00 C ATOM 1730 CG TYR A 129 -16.698 -15.876 38.926 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -17.648 -16.106 37.925 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -16.155 -16.953 39.636 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -18.057 -17.414 37.634 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -16.563 -18.260 39.346 1.00 0.00 C ATOM 1735 CZ TYR A 129 -17.514 -18.491 38.345 1.00 0.00 C ATOM 1736 OH TYR A 129 -17.916 -19.778 38.059 1.00 0.00 O ATOM 0 H TYR A 129 -17.359 -13.396 37.319 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.305 -14.145 39.841 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.623 -14.084 38.443 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -15.665 -14.455 40.156 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -18.066 -15.275 37.376 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.421 -16.775 40.408 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -18.791 -17.591 36.862 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.144 -19.091 39.895 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.441 -20.406 38.643 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.513 -11.382 39.795 1.00 0.00 N ATOM 1747 CA ARG A 130 -16.141 -10.221 40.592 1.00 0.00 C ATOM 1748 C ARG A 130 -17.380 -9.565 41.193 1.00 0.00 C ATOM 1749 O ARG A 130 -17.390 -9.194 42.367 1.00 0.00 O ATOM 1750 CB ARG A 130 -15.400 -9.206 39.717 1.00 0.00 C ATOM 1751 CG ARG A 130 -14.930 -8.034 40.581 1.00 0.00 C ATOM 1752 CD ARG A 130 -14.184 -7.024 39.710 1.00 0.00 C ATOM 1753 NE ARG A 130 -15.089 -6.440 38.726 1.00 0.00 N ATOM 1754 CZ ARG A 130 -15.823 -5.371 39.017 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -16.626 -4.867 38.120 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -15.741 -4.826 40.199 1.00 0.00 N ATOM 0 H ARG A 130 -16.241 -11.330 38.813 1.00 0.00 H new ATOM 0 HA ARG A 130 -15.489 -10.551 41.401 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -14.546 -9.681 39.234 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -16.055 -8.847 38.924 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -15.785 -7.556 41.060 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -14.279 -8.394 41.377 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.759 -6.238 40.335 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.352 -7.514 39.204 1.00 0.00 H new ATOM 0 HE ARG A 130 -15.160 -6.859 37.799 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -16.690 -5.294 37.196 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -17.189 -4.047 38.343 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -15.114 -5.220 40.900 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -16.304 -4.006 40.422 1.00 0.00 H new ATOM 1770 N GLU A 131 -18.425 -9.428 40.383 1.00 0.00 N ATOM 1771 CA GLU A 131 -19.665 -8.819 40.849 1.00 0.00 C ATOM 1772 C GLU A 131 -20.367 -9.728 41.853 1.00 0.00 C ATOM 1773 O GLU A 131 -20.900 -9.263 42.860 1.00 0.00 O ATOM 1774 CB GLU A 131 -20.594 -8.553 39.662 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.992 -7.462 38.777 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.864 -7.250 37.544 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.877 -7.920 37.439 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -20.506 -6.420 36.725 1.00 0.00 O ATOM 0 H GLU A 131 -18.438 -9.728 39.408 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.422 -7.876 41.339 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.735 -9.467 39.085 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -21.577 -8.246 40.018 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.909 -6.531 39.338 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.983 -7.743 38.475 1.00 0.00 H new