USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 667 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 36 MET CE :methyl -139:sc= -3.77! (180deg=-2.68!) USER MOD Set 1.2: A 40 ASN : amide:sc= -1.1! C(o=-4.9!,f=-6.5!) USER MOD Single : A 15 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.59! X(o=-1.6!,f=-1.2) USER MOD Single : A 35 GLN : amide:sc= -0.861 K(o=-0.86,f=-0.11) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 63:sc= 0.0742 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 1 (180deg=0.731) USER MOD Single : A 57 CYS SG : rot -22:sc=-0.00612 USER MOD Single : A 59 HIS : no HD1:sc= -0.679 K(o=-0.67,f=-2.2!) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -0.0499 (180deg=-0.249) USER MOD Single : A 65 ASN : amide:sc= -2.77 K(o=-2.8,f=-0.43) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 54:sc= 0.977 USER MOD Single : A 74 LYS NZ :NH3+ -112:sc= 0.114 (180deg=-1.86!) USER MOD Single : A 79 LYS NZ :NH3+ -169:sc=-0.00475 (180deg=-0.139) USER MOD Single : A 80 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.81) USER MOD Single : A 81 SER OG : rot 69:sc= 0.39 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0124 K(o=-0.012,f=-0.76) USER MOD Single : A 86 HIS : no HD1:sc= 0.949 K(o=0.95,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 1.868 -11.546 -8.413 1.00 0.00 N ATOM 115 CA VAL A 10 0.512 -11.074 -8.201 1.00 0.00 C ATOM 116 C VAL A 10 0.561 -9.613 -7.779 1.00 0.00 C ATOM 117 O VAL A 10 1.123 -9.281 -6.737 1.00 0.00 O ATOM 118 CB VAL A 10 -0.217 -11.890 -7.111 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.648 -11.401 -6.933 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.196 -13.376 -7.442 1.00 0.00 C ATOM 0 HA VAL A 10 -0.039 -11.193 -9.134 1.00 0.00 H new ATOM 0 HB VAL A 10 0.313 -11.742 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.141 -11.991 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.640 -10.352 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.189 -11.510 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.715 -13.930 -6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.694 -13.543 -8.397 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.836 -13.720 -7.506 1.00 0.00 H new ATOM 130 N ASP A 11 -0.030 -8.744 -8.582 1.00 0.00 N ATOM 131 CA ASP A 11 0.044 -7.318 -8.318 1.00 0.00 C ATOM 132 C ASP A 11 -1.275 -6.793 -7.773 1.00 0.00 C ATOM 133 O ASP A 11 -2.314 -6.870 -8.432 1.00 0.00 O ATOM 134 CB ASP A 11 0.428 -6.549 -9.586 1.00 0.00 C ATOM 135 CG ASP A 11 1.839 -6.856 -10.054 1.00 0.00 C ATOM 136 OD1 ASP A 11 2.799 -6.403 -9.397 1.00 0.00 O ATOM 137 OD2 ASP A 11 1.993 -7.529 -11.097 1.00 0.00 O ATOM 0 H ASP A 11 -0.562 -8.998 -9.415 1.00 0.00 H new ATOM 0 HA ASP A 11 0.816 -7.162 -7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.275 -6.794 -10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.337 -5.479 -9.399 1.00 0.00 H new ATOM 142 N VAL A 12 -1.217 -6.266 -6.559 1.00 0.00 N ATOM 143 CA VAL A 12 -2.368 -5.660 -5.911 1.00 0.00 C ATOM 144 C VAL A 12 -2.048 -4.195 -5.624 1.00 0.00 C ATOM 145 O VAL A 12 -0.931 -3.879 -5.220 1.00 0.00 O ATOM 146 CB VAL A 12 -2.720 -6.390 -4.594 1.00 0.00 C ATOM 147 CG1 VAL A 12 -4.013 -5.855 -4.000 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.818 -7.892 -4.816 1.00 0.00 C ATOM 0 H VAL A 12 -0.367 -6.247 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.231 -5.739 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.916 -6.199 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.236 -6.387 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.904 -4.791 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.828 -6.003 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.066 -8.383 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.595 -8.101 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.863 -8.269 -5.181 1.00 0.00 H new ATOM 158 N GLU A 13 -2.999 -3.301 -5.838 1.00 0.00 N ATOM 159 CA GLU A 13 -2.708 -1.879 -5.748 1.00 0.00 C ATOM 160 C GLU A 13 -3.583 -1.184 -4.716 1.00 0.00 C ATOM 161 O GLU A 13 -4.804 -1.353 -4.694 1.00 0.00 O ATOM 162 CB GLU A 13 -2.852 -1.211 -7.120 1.00 0.00 C ATOM 163 CG GLU A 13 -4.213 -1.395 -7.769 1.00 0.00 C ATOM 164 CD GLU A 13 -4.238 -0.904 -9.202 1.00 0.00 C ATOM 165 OE1 GLU A 13 -3.711 -1.619 -10.081 1.00 0.00 O ATOM 166 OE2 GLU A 13 -4.783 0.192 -9.455 1.00 0.00 O ATOM 0 H GLU A 13 -3.965 -3.529 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.674 -1.778 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.655 -0.144 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.088 -1.611 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.485 -2.450 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.965 -0.858 -7.190 1.00 0.00 H new ATOM 173 N ILE A 14 -2.940 -0.406 -3.861 1.00 0.00 N ATOM 174 CA ILE A 14 -3.635 0.376 -2.855 1.00 0.00 C ATOM 175 C ILE A 14 -3.597 1.841 -3.264 1.00 0.00 C ATOM 176 O ILE A 14 -2.563 2.336 -3.713 1.00 0.00 O ATOM 177 CB ILE A 14 -2.988 0.229 -1.458 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.557 -1.224 -1.200 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.973 0.688 -0.394 1.00 0.00 C ATOM 180 CD1 ILE A 14 -1.773 -1.425 0.086 1.00 0.00 C ATOM 0 H ILE A 14 -1.926 -0.300 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.660 0.010 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.095 0.852 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.446 -1.855 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.950 -1.565 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.518 0.585 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.234 1.732 -0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.874 0.076 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.509 -2.477 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.864 -0.824 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.383 -1.118 0.936 1.00 0.00 H new ATOM 192 N HIS A 15 -4.714 2.534 -3.139 1.00 0.00 N ATOM 193 CA HIS A 15 -4.767 3.934 -3.526 1.00 0.00 C ATOM 194 C HIS A 15 -4.871 4.832 -2.312 1.00 0.00 C ATOM 195 O HIS A 15 -5.728 4.640 -1.449 1.00 0.00 O ATOM 196 CB HIS A 15 -5.929 4.200 -4.477 1.00 0.00 C ATOM 197 CG HIS A 15 -5.726 3.615 -5.834 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.399 2.501 -6.282 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.908 3.990 -6.845 1.00 0.00 C ATOM 200 CE1 HIS A 15 -6.007 2.215 -7.506 1.00 0.00 C ATOM 201 NE2 HIS A 15 -5.103 3.104 -7.873 1.00 0.00 N ATOM 0 H HIS A 15 -5.589 2.156 -2.776 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.837 4.163 -4.047 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.843 3.792 -4.046 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.074 5.276 -4.571 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.094 1.978 -5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.229 4.830 -6.842 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.365 1.392 -8.108 1.00 0.00 H new ATOM 210 N PHE A 16 -3.979 5.802 -2.251 1.00 0.00 N ATOM 211 CA PHE A 16 -3.971 6.773 -1.176 1.00 0.00 C ATOM 212 C PHE A 16 -3.958 8.178 -1.764 1.00 0.00 C ATOM 213 O PHE A 16 -3.100 8.497 -2.588 1.00 0.00 O ATOM 214 CB PHE A 16 -2.744 6.570 -0.280 1.00 0.00 C ATOM 215 CG PHE A 16 -2.727 5.269 0.476 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.867 4.792 1.102 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.563 4.525 0.561 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.844 3.600 1.798 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.534 3.333 1.258 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.676 2.871 1.876 1.00 0.00 C ATOM 0 H PHE A 16 -3.242 5.938 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.867 6.639 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.847 6.628 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.693 7.391 0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.784 5.359 1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.666 4.881 0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.740 3.239 2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.618 2.764 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.656 1.939 2.421 1.00 0.00 H new ATOM 230 N PRO A 17 -4.915 9.038 -1.381 1.00 0.00 N ATOM 231 CA PRO A 17 -4.954 10.415 -1.864 1.00 0.00 C ATOM 232 C PRO A 17 -3.763 11.215 -1.338 1.00 0.00 C ATOM 233 O PRO A 17 -3.591 11.376 -0.122 1.00 0.00 O ATOM 234 CB PRO A 17 -6.284 10.961 -1.329 1.00 0.00 C ATOM 235 CG PRO A 17 -7.057 9.756 -0.907 1.00 0.00 C ATOM 236 CD PRO A 17 -6.032 8.755 -0.469 1.00 0.00 C ATOM 0 HA PRO A 17 -4.889 10.483 -2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.123 11.640 -0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.817 11.523 -2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.744 9.995 -0.095 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.658 9.368 -1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.750 8.891 0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.392 7.731 -0.571 1.00 0.00 H new ATOM 244 N LEU A 18 -2.976 11.732 -2.283 1.00 0.00 N ATOM 245 CA LEU A 18 -1.647 12.313 -2.037 1.00 0.00 C ATOM 246 C LEU A 18 -1.584 13.193 -0.788 1.00 0.00 C ATOM 247 O LEU A 18 -0.653 13.089 0.010 1.00 0.00 O ATOM 248 CB LEU A 18 -1.237 13.141 -3.261 1.00 0.00 C ATOM 249 CG LEU A 18 0.151 13.782 -3.203 1.00 0.00 C ATOM 250 CD1 LEU A 18 1.236 12.729 -3.360 1.00 0.00 C ATOM 251 CD2 LEU A 18 0.287 14.851 -4.276 1.00 0.00 C ATOM 0 H LEU A 18 -3.248 11.761 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.962 11.483 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.282 12.499 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.974 13.931 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 18 0.271 14.253 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.215 13.206 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.152 11.998 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.120 12.227 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.280 15.297 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.145 14.401 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.467 15.623 -4.119 1.00 0.00 H new ATOM 263 N LYS A 19 -2.579 14.042 -0.617 1.00 0.00 N ATOM 264 CA LYS A 19 -2.541 15.060 0.424 1.00 0.00 C ATOM 265 C LYS A 19 -2.804 14.487 1.814 1.00 0.00 C ATOM 266 O LYS A 19 -2.148 14.867 2.781 1.00 0.00 O ATOM 267 CB LYS A 19 -3.558 16.151 0.106 1.00 0.00 C ATOM 268 CG LYS A 19 -3.287 16.850 -1.215 1.00 0.00 C ATOM 269 CD LYS A 19 -4.444 17.734 -1.645 1.00 0.00 C ATOM 270 CE LYS A 19 -5.698 16.930 -1.894 1.00 0.00 C ATOM 271 NZ LYS A 19 -6.790 17.771 -2.441 1.00 0.00 N ATOM 0 H LYS A 19 -3.426 14.050 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.534 15.478 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.556 15.713 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.554 16.889 0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.384 17.454 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.096 16.104 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.637 18.481 -0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.172 18.274 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.479 16.120 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.026 16.469 -0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.634 17.184 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.016 18.529 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.486 18.191 -3.343 1.00 0.00 H new ATOM 285 N ARG A 20 -3.748 13.565 1.923 1.00 0.00 N ATOM 286 CA ARG A 20 -4.180 13.099 3.232 1.00 0.00 C ATOM 287 C ARG A 20 -3.384 11.891 3.715 1.00 0.00 C ATOM 288 O ARG A 20 -3.348 11.611 4.910 1.00 0.00 O ATOM 289 CB ARG A 20 -5.678 12.823 3.221 1.00 0.00 C ATOM 290 CG ARG A 20 -6.146 11.940 2.089 1.00 0.00 C ATOM 291 CD ARG A 20 -7.657 12.009 1.942 1.00 0.00 C ATOM 292 NE ARG A 20 -8.135 13.377 1.718 1.00 0.00 N ATOM 293 CZ ARG A 20 -9.426 13.710 1.660 1.00 0.00 C ATOM 294 NH1 ARG A 20 -10.359 12.789 1.862 1.00 0.00 N ATOM 295 NH2 ARG A 20 -9.780 14.968 1.427 1.00 0.00 N ATOM 0 H ARG A 20 -4.224 13.129 1.133 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.980 13.894 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.955 12.357 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.209 13.773 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.671 12.251 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.841 10.910 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.968 11.378 1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.125 11.606 2.840 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.442 14.116 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.090 11.826 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.346 13.044 1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.065 15.682 1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.767 15.220 1.383 1.00 0.00 H new ATOM 309 N ILE A 21 -2.719 11.190 2.804 1.00 0.00 N ATOM 310 CA ILE A 21 -1.812 10.121 3.212 1.00 0.00 C ATOM 311 C ILE A 21 -0.557 10.731 3.837 1.00 0.00 C ATOM 312 O ILE A 21 0.154 10.085 4.606 1.00 0.00 O ATOM 313 CB ILE A 21 -1.429 9.198 2.029 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.496 8.065 2.487 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.780 9.997 0.910 1.00 0.00 C ATOM 316 CD1 ILE A 21 -1.057 7.214 3.607 1.00 0.00 C ATOM 0 H ILE A 21 -2.787 11.337 1.797 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.329 9.502 3.946 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.347 8.749 1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.276 7.424 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.450 8.498 2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.519 9.328 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.477 10.755 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.122 10.481 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.337 6.439 3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.251 7.840 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.987 6.749 3.280 1.00 0.00 H new ATOM 328 N ALA A 22 -0.311 11.996 3.515 1.00 0.00 N ATOM 329 CA ALA A 22 0.803 12.733 4.092 1.00 0.00 C ATOM 330 C ALA A 22 0.430 13.278 5.464 1.00 0.00 C ATOM 331 O ALA A 22 1.295 13.688 6.239 1.00 0.00 O ATOM 332 CB ALA A 22 1.218 13.871 3.169 1.00 0.00 C ATOM 0 H ALA A 22 -0.872 12.533 2.854 1.00 0.00 H new ATOM 0 HA ALA A 22 1.645 12.050 4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.052 14.414 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.522 13.465 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.377 14.550 3.028 1.00 0.00 H new ATOM 338 N ALA A 23 -0.863 13.266 5.762 1.00 0.00 N ATOM 339 CA ALA A 23 -1.367 13.798 7.016 1.00 0.00 C ATOM 340 C ALA A 23 -1.120 12.815 8.152 1.00 0.00 C ATOM 341 O ALA A 23 -1.051 11.606 7.939 1.00 0.00 O ATOM 342 CB ALA A 23 -2.852 14.104 6.895 1.00 0.00 C ATOM 0 H ALA A 23 -1.584 12.890 5.146 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.835 14.722 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.220 14.502 7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.009 14.840 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.393 13.190 6.651 1.00 0.00 H new ATOM 348 N GLU A 24 -0.979 13.349 9.357 1.00 0.00 N ATOM 349 CA GLU A 24 -0.713 12.534 10.530 1.00 0.00 C ATOM 350 C GLU A 24 -1.996 11.868 11.016 1.00 0.00 C ATOM 351 O GLU A 24 -1.962 10.785 11.599 1.00 0.00 O ATOM 352 CB GLU A 24 -0.090 13.386 11.634 1.00 0.00 C ATOM 353 CG GLU A 24 0.302 12.598 12.870 1.00 0.00 C ATOM 354 CD GLU A 24 1.061 13.439 13.868 1.00 0.00 C ATOM 355 OE1 GLU A 24 0.420 14.220 14.601 1.00 0.00 O ATOM 356 OE2 GLU A 24 2.302 13.332 13.920 1.00 0.00 O ATOM 0 H GLU A 24 -1.045 14.349 9.547 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.005 11.750 10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.794 13.886 11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.796 14.165 11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.595 12.198 13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.915 11.746 12.576 1.00 0.00 H new ATOM 363 N GLY A 25 -3.125 12.515 10.761 1.00 0.00 N ATOM 364 CA GLY A 25 -4.413 11.920 11.060 1.00 0.00 C ATOM 365 C GLY A 25 -4.927 11.110 9.889 1.00 0.00 C ATOM 366 O GLY A 25 -6.112 11.166 9.548 1.00 0.00 O ATOM 0 H GLY A 25 -3.172 13.447 10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.326 11.280 11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.130 12.703 11.306 1.00 0.00 H new ATOM 370 N TYR A 26 -4.023 10.358 9.277 1.00 0.00 N ATOM 371 CA TYR A 26 -4.319 9.598 8.069 1.00 0.00 C ATOM 372 C TYR A 26 -5.327 8.483 8.338 1.00 0.00 C ATOM 373 O TYR A 26 -6.227 8.243 7.538 1.00 0.00 O ATOM 374 CB TYR A 26 -3.019 9.016 7.486 1.00 0.00 C ATOM 375 CG TYR A 26 -2.223 8.168 8.461 1.00 0.00 C ATOM 376 CD1 TYR A 26 -2.463 6.806 8.587 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.235 8.732 9.256 1.00 0.00 C ATOM 378 CE1 TYR A 26 -1.746 6.032 9.476 1.00 0.00 C ATOM 379 CE2 TYR A 26 -0.511 7.964 10.146 1.00 0.00 C ATOM 380 CZ TYR A 26 -0.771 6.616 10.255 1.00 0.00 C ATOM 381 OH TYR A 26 -0.052 5.848 11.139 1.00 0.00 O ATOM 0 H TYR A 26 -3.062 10.257 9.604 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.768 10.277 7.344 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.265 8.411 6.613 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.391 9.836 7.139 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.225 6.344 7.977 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.029 9.789 9.177 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.948 4.974 9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.257 8.419 10.755 1.00 0.00 H new ATOM 0 HH TYR A 26 0.596 6.412 11.610 1.00 0.00 H new ATOM 391 N ALA A 27 -5.202 7.837 9.491 1.00 0.00 N ATOM 392 CA ALA A 27 -5.982 6.639 9.781 1.00 0.00 C ATOM 393 C ALA A 27 -7.435 6.965 10.097 1.00 0.00 C ATOM 394 O ALA A 27 -8.239 6.070 10.340 1.00 0.00 O ATOM 395 CB ALA A 27 -5.352 5.870 10.928 1.00 0.00 C ATOM 0 H ALA A 27 -4.570 8.121 10.239 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.976 6.019 8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.943 4.978 11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.337 5.578 10.657 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.323 6.501 11.816 1.00 0.00 H new ATOM 401 N GLU A 28 -7.768 8.244 10.093 1.00 0.00 N ATOM 402 CA GLU A 28 -9.128 8.670 10.377 1.00 0.00 C ATOM 403 C GLU A 28 -9.844 9.096 9.098 1.00 0.00 C ATOM 404 O GLU A 28 -11.053 9.336 9.105 1.00 0.00 O ATOM 405 CB GLU A 28 -9.123 9.813 11.391 1.00 0.00 C ATOM 406 CG GLU A 28 -8.561 9.418 12.746 1.00 0.00 C ATOM 407 CD GLU A 28 -9.344 8.294 13.390 1.00 0.00 C ATOM 408 OE1 GLU A 28 -10.472 8.544 13.861 1.00 0.00 O ATOM 409 OE2 GLU A 28 -8.837 7.153 13.435 1.00 0.00 O ATOM 0 H GLU A 28 -7.117 9.004 9.897 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.669 7.825 10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.537 10.641 10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.142 10.177 11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.521 9.113 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.567 10.286 13.406 1.00 0.00 H new ATOM 416 N ASP A 29 -9.101 9.172 7.999 1.00 0.00 N ATOM 417 CA ASP A 29 -9.677 9.594 6.727 1.00 0.00 C ATOM 418 C ASP A 29 -10.397 8.440 6.046 1.00 0.00 C ATOM 419 O ASP A 29 -9.792 7.419 5.708 1.00 0.00 O ATOM 420 CB ASP A 29 -8.610 10.145 5.791 1.00 0.00 C ATOM 421 CG ASP A 29 -9.199 10.521 4.451 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.816 11.603 4.353 1.00 0.00 O ATOM 423 OD2 ASP A 29 -9.069 9.732 3.495 1.00 0.00 O ATOM 0 H ASP A 29 -8.106 8.949 7.963 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.394 10.385 6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.142 11.019 6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.826 9.401 5.651 1.00 0.00 H new ATOM 428 N GLU A 30 -11.686 8.645 5.796 1.00 0.00 N ATOM 429 CA GLU A 30 -12.571 7.593 5.323 1.00 0.00 C ATOM 430 C GLU A 30 -12.125 7.067 3.971 1.00 0.00 C ATOM 431 O GLU A 30 -12.251 5.877 3.690 1.00 0.00 O ATOM 432 CB GLU A 30 -13.998 8.116 5.216 1.00 0.00 C ATOM 433 CG GLU A 30 -14.999 7.045 4.830 1.00 0.00 C ATOM 434 CD GLU A 30 -16.363 7.614 4.519 1.00 0.00 C ATOM 435 OE1 GLU A 30 -17.079 8.003 5.466 1.00 0.00 O ATOM 436 OE2 GLU A 30 -16.722 7.686 3.327 1.00 0.00 O ATOM 0 H GLU A 30 -12.145 9.548 5.917 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.532 6.776 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.291 8.551 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.030 8.917 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.628 6.502 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.086 6.324 5.643 1.00 0.00 H new ATOM 443 N LEU A 31 -11.601 7.954 3.138 1.00 0.00 N ATOM 444 CA LEU A 31 -11.148 7.576 1.820 1.00 0.00 C ATOM 445 C LEU A 31 -9.973 6.636 1.928 1.00 0.00 C ATOM 446 O LEU A 31 -9.908 5.623 1.239 1.00 0.00 O ATOM 447 CB LEU A 31 -10.757 8.810 1.018 1.00 0.00 C ATOM 448 CG LEU A 31 -11.757 9.216 -0.065 1.00 0.00 C ATOM 449 CD1 LEU A 31 -11.303 10.482 -0.764 1.00 0.00 C ATOM 450 CD2 LEU A 31 -11.943 8.091 -1.069 1.00 0.00 C ATOM 0 H LEU A 31 -11.481 8.943 3.358 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.963 7.069 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.628 9.646 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.789 8.630 0.550 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.717 9.413 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.028 10.754 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.223 11.290 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.331 10.313 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.658 8.399 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.987 7.861 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.318 7.205 -0.557 1.00 0.00 H new ATOM 462 N LEU A 32 -9.077 6.955 2.835 1.00 0.00 N ATOM 463 CA LEU A 32 -7.886 6.186 3.032 1.00 0.00 C ATOM 464 C LEU A 32 -8.250 4.841 3.631 1.00 0.00 C ATOM 465 O LEU A 32 -7.744 3.792 3.223 1.00 0.00 O ATOM 466 CB LEU A 32 -6.986 6.961 3.976 1.00 0.00 C ATOM 467 CG LEU A 32 -5.509 6.654 3.844 1.00 0.00 C ATOM 468 CD1 LEU A 32 -4.898 7.491 2.733 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.781 6.879 5.155 1.00 0.00 C ATOM 0 H LEU A 32 -9.162 7.760 3.455 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.371 6.013 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.137 8.027 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.295 6.755 5.001 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.400 5.600 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.836 7.262 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.396 7.263 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.024 8.549 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.723 6.650 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.893 7.920 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.203 6.229 5.922 1.00 0.00 H new ATOM 481 N LEU A 33 -9.171 4.893 4.580 1.00 0.00 N ATOM 482 CA LEU A 33 -9.620 3.725 5.292 1.00 0.00 C ATOM 483 C LEU A 33 -10.368 2.750 4.394 1.00 0.00 C ATOM 484 O LEU A 33 -10.070 1.561 4.388 1.00 0.00 O ATOM 485 CB LEU A 33 -10.536 4.167 6.414 1.00 0.00 C ATOM 486 CG LEU A 33 -9.855 4.739 7.656 1.00 0.00 C ATOM 487 CD1 LEU A 33 -10.892 5.094 8.710 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.835 3.756 8.216 1.00 0.00 C ATOM 0 H LEU A 33 -9.626 5.757 4.874 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.742 3.207 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.220 4.919 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.142 3.313 6.718 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.326 5.648 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.393 5.500 9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.580 5.837 8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.448 4.199 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.363 4.185 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.336 2.827 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.075 3.551 7.462 1.00 0.00 H new ATOM 500 N ASN A 34 -11.329 3.249 3.626 1.00 0.00 N ATOM 501 CA ASN A 34 -12.158 2.371 2.806 1.00 0.00 C ATOM 502 C ASN A 34 -11.385 1.876 1.592 1.00 0.00 C ATOM 503 O ASN A 34 -11.643 0.782 1.087 1.00 0.00 O ATOM 504 CB ASN A 34 -13.471 3.054 2.380 1.00 0.00 C ATOM 505 CG ASN A 34 -13.359 3.854 1.094 1.00 0.00 C ATOM 506 OD1 ASN A 34 -13.554 3.326 0.001 1.00 0.00 O ATOM 507 ND2 ASN A 34 -13.064 5.134 1.211 1.00 0.00 N ATOM 0 H ASN A 34 -11.552 4.242 3.553 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.425 1.510 3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.242 2.293 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.801 3.716 3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.991 5.719 0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.908 5.539 2.134 1.00 0.00 H new ATOM 514 N GLN A 35 -10.432 2.676 1.133 1.00 0.00 N ATOM 515 CA GLN A 35 -9.632 2.315 -0.024 1.00 0.00 C ATOM 516 C GLN A 35 -8.707 1.157 0.329 1.00 0.00 C ATOM 517 O GLN A 35 -8.651 0.134 -0.375 1.00 0.00 O ATOM 518 CB GLN A 35 -8.823 3.534 -0.461 1.00 0.00 C ATOM 519 CG GLN A 35 -8.798 3.739 -1.958 1.00 0.00 C ATOM 520 CD GLN A 35 -9.003 5.194 -2.355 1.00 0.00 C ATOM 521 OE1 GLN A 35 -9.526 5.479 -3.432 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.610 6.123 -1.490 1.00 0.00 N ATOM 0 H GLN A 35 -10.196 3.578 1.546 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.278 1.999 -0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.238 4.424 0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.800 3.429 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.844 3.390 -2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.575 3.128 -2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.180 5.848 -0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.738 7.111 -1.709 1.00 0.00 H new ATOM 531 N MET A 36 -8.043 1.284 1.468 1.00 0.00 N ATOM 532 CA MET A 36 -7.198 0.216 1.946 1.00 0.00 C ATOM 533 C MET A 36 -8.055 -0.931 2.439 1.00 0.00 C ATOM 534 O MET A 36 -7.760 -2.066 2.146 1.00 0.00 O ATOM 535 CB MET A 36 -6.260 0.677 3.058 1.00 0.00 C ATOM 536 CG MET A 36 -5.405 -0.456 3.596 1.00 0.00 C ATOM 537 SD MET A 36 -4.374 -1.203 2.325 1.00 0.00 S ATOM 538 CE MET A 36 -3.873 -2.717 3.135 1.00 0.00 C ATOM 0 H MET A 36 -8.076 2.108 2.068 1.00 0.00 H new ATOM 0 HA MET A 36 -6.578 -0.112 1.111 1.00 0.00 H new ATOM 0 HB2 MET A 36 -5.614 1.469 2.680 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.846 1.105 3.871 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.771 -0.079 4.399 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.050 -1.219 4.031 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.821 -2.910 2.926 1.00 0.00 H new ATOM 0 HE2 MET A 36 -4.017 -2.619 4.211 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.475 -3.546 2.762 1.00 0.00 H new ATOM 548 N GLY A 37 -9.129 -0.617 3.168 1.00 0.00 N ATOM 549 CA GLY A 37 -10.034 -1.646 3.674 1.00 0.00 C ATOM 550 C GLY A 37 -10.540 -2.560 2.576 1.00 0.00 C ATOM 551 O GLY A 37 -10.795 -3.746 2.798 1.00 0.00 O ATOM 0 H GLY A 37 -9.390 0.337 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.519 -2.240 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.882 -1.170 4.167 1.00 0.00 H new ATOM 555 N LYS A 38 -10.688 -1.994 1.392 1.00 0.00 N ATOM 556 CA LYS A 38 -11.015 -2.759 0.204 1.00 0.00 C ATOM 557 C LYS A 38 -9.853 -3.687 -0.133 1.00 0.00 C ATOM 558 O LYS A 38 -10.020 -4.902 -0.256 1.00 0.00 O ATOM 559 CB LYS A 38 -11.282 -1.783 -0.941 1.00 0.00 C ATOM 560 CG LYS A 38 -11.703 -2.423 -2.261 1.00 0.00 C ATOM 561 CD LYS A 38 -10.513 -2.662 -3.179 1.00 0.00 C ATOM 562 CE LYS A 38 -10.951 -3.170 -4.543 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.799 -3.347 -5.466 1.00 0.00 N ATOM 0 H LYS A 38 -10.585 -0.993 1.228 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.903 -3.368 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.061 -1.088 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.380 -1.195 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.204 -3.370 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.425 -1.779 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.953 -1.735 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.838 -3.385 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.472 -4.120 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.662 -2.469 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.141 -3.695 -6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.317 -2.435 -5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.133 -4.035 -5.061 1.00 0.00 H new ATOM 577 N VAL A 39 -8.670 -3.100 -0.243 1.00 0.00 N ATOM 578 CA VAL A 39 -7.445 -3.851 -0.516 1.00 0.00 C ATOM 579 C VAL A 39 -6.841 -4.399 0.797 1.00 0.00 C ATOM 580 O VAL A 39 -5.630 -4.418 1.001 1.00 0.00 O ATOM 581 CB VAL A 39 -6.426 -2.934 -1.241 1.00 0.00 C ATOM 582 CG1 VAL A 39 -5.155 -3.671 -1.615 1.00 0.00 C ATOM 583 CG2 VAL A 39 -7.052 -2.308 -2.475 1.00 0.00 C ATOM 0 H VAL A 39 -8.528 -2.094 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.683 -4.699 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.152 -2.146 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.473 -2.987 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.680 -4.057 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.397 -4.499 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.321 -1.668 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.369 -3.094 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.916 -1.712 -2.182 1.00 0.00 H new ATOM 593 N ASN A 40 -7.694 -4.852 1.702 1.00 0.00 N ATOM 594 CA ASN A 40 -7.223 -5.184 3.041 1.00 0.00 C ATOM 595 C ASN A 40 -7.737 -6.519 3.532 1.00 0.00 C ATOM 596 O ASN A 40 -7.070 -7.199 4.308 1.00 0.00 O ATOM 597 CB ASN A 40 -7.664 -4.105 4.017 1.00 0.00 C ATOM 598 CG ASN A 40 -6.898 -4.149 5.316 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.433 -3.844 6.382 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.629 -4.507 5.235 1.00 0.00 N ATOM 0 H ASN A 40 -8.691 -4.996 1.543 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.136 -5.247 2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.532 -3.127 3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.728 -4.220 4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.053 -4.538 6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.225 -4.752 4.331 1.00 0.00 H new ATOM 607 N ASP A 41 -8.920 -6.892 3.093 1.00 0.00 N ATOM 608 CA ASP A 41 -9.573 -8.080 3.623 1.00 0.00 C ATOM 609 C ASP A 41 -9.009 -9.338 2.977 1.00 0.00 C ATOM 610 O ASP A 41 -8.999 -10.413 3.576 1.00 0.00 O ATOM 611 CB ASP A 41 -11.086 -8.006 3.397 1.00 0.00 C ATOM 612 CG ASP A 41 -11.817 -9.233 3.910 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.066 -9.312 5.129 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.159 -10.114 3.093 1.00 0.00 O ATOM 0 H ASP A 41 -9.450 -6.397 2.376 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.380 -8.124 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.480 -7.119 3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.285 -7.889 2.332 1.00 0.00 H new ATOM 619 N THR A 42 -8.518 -9.189 1.756 1.00 0.00 N ATOM 620 CA THR A 42 -7.944 -10.301 1.015 1.00 0.00 C ATOM 621 C THR A 42 -6.495 -9.999 0.607 1.00 0.00 C ATOM 622 O THR A 42 -6.171 -9.963 -0.581 1.00 0.00 O ATOM 623 CB THR A 42 -8.789 -10.589 -0.244 1.00 0.00 C ATOM 624 OG1 THR A 42 -8.960 -9.380 -1.003 1.00 0.00 O ATOM 625 CG2 THR A 42 -10.155 -11.145 0.132 1.00 0.00 C ATOM 0 H THR A 42 -8.506 -8.301 1.254 1.00 0.00 H new ATOM 0 HA THR A 42 -7.946 -11.178 1.662 1.00 0.00 H new ATOM 0 HB THR A 42 -8.263 -11.332 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.087 -9.063 -1.314 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.730 -11.339 -0.773 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.029 -12.074 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.685 -10.421 0.750 1.00 0.00 H new ATOM 633 N PRO A 43 -5.594 -9.773 1.584 1.00 0.00 N ATOM 634 CA PRO A 43 -4.232 -9.337 1.316 1.00 0.00 C ATOM 635 C PRO A 43 -3.206 -10.472 1.343 1.00 0.00 C ATOM 636 O PRO A 43 -2.007 -10.227 1.204 1.00 0.00 O ATOM 637 CB PRO A 43 -3.998 -8.401 2.487 1.00 0.00 C ATOM 638 CG PRO A 43 -4.691 -9.071 3.631 1.00 0.00 C ATOM 639 CD PRO A 43 -5.816 -9.895 3.036 1.00 0.00 C ATOM 0 HA PRO A 43 -4.118 -8.904 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.934 -8.270 2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.411 -7.411 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.999 -9.704 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.081 -8.334 4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.771 -10.934 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.794 -9.511 3.327 1.00 0.00 H new ATOM 647 N GLU A 44 -3.689 -11.695 1.568 1.00 0.00 N ATOM 648 CA GLU A 44 -2.848 -12.897 1.656 1.00 0.00 C ATOM 649 C GLU A 44 -2.066 -12.953 2.973 1.00 0.00 C ATOM 650 O GLU A 44 -2.037 -13.990 3.636 1.00 0.00 O ATOM 651 CB GLU A 44 -1.900 -13.010 0.457 1.00 0.00 C ATOM 652 CG GLU A 44 -1.111 -14.306 0.434 1.00 0.00 C ATOM 653 CD GLU A 44 -0.340 -14.496 -0.851 1.00 0.00 C ATOM 654 OE1 GLU A 44 -0.972 -14.484 -1.927 1.00 0.00 O ATOM 655 OE2 GLU A 44 0.890 -14.679 -0.793 1.00 0.00 O ATOM 0 H GLU A 44 -4.683 -11.884 1.696 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.522 -13.754 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.478 -12.929 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.205 -12.170 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.417 -14.319 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.794 -15.145 0.571 1.00 0.00 H new ATOM 662 N GLU A 45 -1.440 -11.845 3.350 1.00 0.00 N ATOM 663 CA GLU A 45 -0.679 -11.785 4.596 1.00 0.00 C ATOM 664 C GLU A 45 -1.585 -11.936 5.822 1.00 0.00 C ATOM 665 O GLU A 45 -1.844 -13.046 6.287 1.00 0.00 O ATOM 666 CB GLU A 45 0.088 -10.473 4.720 1.00 0.00 C ATOM 667 CG GLU A 45 1.269 -10.311 3.791 1.00 0.00 C ATOM 668 CD GLU A 45 2.113 -9.117 4.190 1.00 0.00 C ATOM 669 OE1 GLU A 45 1.829 -7.993 3.728 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.054 -9.298 4.985 1.00 0.00 O ATOM 0 H GLU A 45 -1.443 -10.977 2.814 1.00 0.00 H new ATOM 0 HA GLU A 45 0.024 -12.617 4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.605 -9.651 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.441 -10.376 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.878 -11.215 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.917 -10.186 2.767 1.00 0.00 H new ATOM 677 N GLU A 46 -2.077 -10.808 6.328 1.00 0.00 N ATOM 678 CA GLU A 46 -2.865 -10.785 7.551 1.00 0.00 C ATOM 679 C GLU A 46 -4.198 -10.085 7.313 1.00 0.00 C ATOM 680 O GLU A 46 -5.232 -10.725 7.138 1.00 0.00 O ATOM 681 CB GLU A 46 -2.104 -10.051 8.662 1.00 0.00 C ATOM 682 CG GLU A 46 -0.754 -10.655 9.014 1.00 0.00 C ATOM 683 CD GLU A 46 -0.872 -11.996 9.703 1.00 0.00 C ATOM 684 OE1 GLU A 46 -1.323 -12.031 10.866 1.00 0.00 O ATOM 685 OE2 GLU A 46 -0.501 -13.020 9.092 1.00 0.00 O ATOM 0 H GLU A 46 -1.940 -9.891 5.903 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.047 -11.816 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.955 -9.015 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.724 -10.034 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.165 -10.770 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.211 -9.966 9.661 1.00 0.00 H new ATOM 692 N GLY A 47 -4.152 -8.758 7.278 1.00 0.00 N ATOM 693 CA GLY A 47 -5.355 -7.968 7.116 1.00 0.00 C ATOM 694 C GLY A 47 -5.249 -6.631 7.817 1.00 0.00 C ATOM 695 O GLY A 47 -4.671 -5.685 7.293 1.00 0.00 O ATOM 0 H GLY A 47 -3.294 -8.213 7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.544 -7.808 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.208 -8.519 7.512 1.00 0.00 H new ATOM 699 N MET A 48 -5.763 -6.554 9.023 1.00 0.00 N ATOM 700 CA MET A 48 -5.728 -5.321 9.780 1.00 0.00 C ATOM 701 C MET A 48 -4.284 -4.824 10.028 1.00 0.00 C ATOM 702 O MET A 48 -4.010 -3.628 9.909 1.00 0.00 O ATOM 703 CB MET A 48 -6.523 -5.502 11.073 1.00 0.00 C ATOM 704 CG MET A 48 -6.649 -4.237 11.897 1.00 0.00 C ATOM 705 SD MET A 48 -5.194 -3.917 12.906 1.00 0.00 S ATOM 706 CE MET A 48 -5.464 -2.190 13.262 1.00 0.00 C ATOM 0 H MET A 48 -6.212 -7.333 9.504 1.00 0.00 H new ATOM 0 HA MET A 48 -6.200 -4.533 9.194 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.521 -5.865 10.827 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.044 -6.272 11.678 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.818 -3.390 11.232 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.524 -4.315 12.543 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.652 -1.816 13.885 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.495 -1.627 12.329 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.410 -2.071 13.790 1.00 0.00 H new ATOM 716 N PRO A 49 -3.323 -5.711 10.340 1.00 0.00 N ATOM 717 CA PRO A 49 -1.915 -5.315 10.451 1.00 0.00 C ATOM 718 C PRO A 49 -1.379 -4.848 9.106 1.00 0.00 C ATOM 719 O PRO A 49 -0.492 -4.001 9.032 1.00 0.00 O ATOM 720 CB PRO A 49 -1.210 -6.601 10.902 1.00 0.00 C ATOM 721 CG PRO A 49 -2.303 -7.438 11.465 1.00 0.00 C ATOM 722 CD PRO A 49 -3.495 -7.139 10.620 1.00 0.00 C ATOM 0 HA PRO A 49 -1.762 -4.485 11.141 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.717 -7.099 10.067 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.442 -6.394 11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.048 -8.497 11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.489 -7.192 12.511 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.507 -7.735 9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.428 -7.342 11.145 1.00 0.00 H new ATOM 730 N LEU A 50 -1.944 -5.413 8.044 1.00 0.00 N ATOM 731 CA LEU A 50 -1.575 -5.058 6.682 1.00 0.00 C ATOM 732 C LEU A 50 -1.819 -3.593 6.404 1.00 0.00 C ATOM 733 O LEU A 50 -0.942 -2.903 5.903 1.00 0.00 O ATOM 734 CB LEU A 50 -2.365 -5.906 5.695 1.00 0.00 C ATOM 735 CG LEU A 50 -1.726 -7.228 5.306 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.207 -7.124 3.885 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.594 -7.589 6.261 1.00 0.00 C ATOM 0 H LEU A 50 -2.669 -6.128 8.105 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.509 -5.250 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.347 -6.110 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.527 -5.321 4.790 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.474 -8.019 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.746 -8.069 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.034 -6.903 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.467 -6.326 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.153 -8.540 5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.168 -6.811 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.986 -7.675 7.274 1.00 0.00 H new ATOM 749 N ARG A 51 -2.996 -3.112 6.770 1.00 0.00 N ATOM 750 CA ARG A 51 -3.307 -1.708 6.574 1.00 0.00 C ATOM 751 C ARG A 51 -2.442 -0.855 7.478 1.00 0.00 C ATOM 752 O ARG A 51 -1.923 0.165 7.054 1.00 0.00 O ATOM 753 CB ARG A 51 -4.798 -1.418 6.786 1.00 0.00 C ATOM 754 CG ARG A 51 -5.347 -1.895 8.120 1.00 0.00 C ATOM 755 CD ARG A 51 -5.873 -0.752 8.975 1.00 0.00 C ATOM 756 NE ARG A 51 -7.260 -0.419 8.657 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.075 0.245 9.477 1.00 0.00 C ATOM 758 NH1 ARG A 51 -7.627 0.703 10.641 1.00 0.00 N ATOM 759 NH2 ARG A 51 -9.339 0.452 9.131 1.00 0.00 N ATOM 0 H ARG A 51 -3.740 -3.663 7.197 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.085 -1.452 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.962 -0.344 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.365 -1.890 5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.149 -2.612 7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.563 -2.421 8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.798 -1.024 10.028 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.247 0.128 8.828 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.627 -0.713 7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.656 0.547 10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.254 1.210 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.687 0.103 8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.963 0.960 9.758 1.00 0.00 H new ATOM 773 N ALA A 52 -2.245 -1.296 8.710 1.00 0.00 N ATOM 774 CA ALA A 52 -1.410 -0.547 9.630 1.00 0.00 C ATOM 775 C ALA A 52 0.025 -0.408 9.098 1.00 0.00 C ATOM 776 O ALA A 52 0.561 0.705 9.023 1.00 0.00 O ATOM 777 CB ALA A 52 -1.414 -1.210 10.999 1.00 0.00 C ATOM 0 H ALA A 52 -2.645 -2.154 9.090 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.824 0.457 9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.784 -0.639 11.681 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.433 -1.241 11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.028 -2.226 10.912 1.00 0.00 H new ATOM 783 N TRP A 53 0.622 -1.525 8.672 1.00 0.00 N ATOM 784 CA TRP A 53 2.012 -1.511 8.225 1.00 0.00 C ATOM 785 C TRP A 53 2.146 -0.805 6.883 1.00 0.00 C ATOM 786 O TRP A 53 3.015 0.049 6.709 1.00 0.00 O ATOM 787 CB TRP A 53 2.611 -2.948 8.201 1.00 0.00 C ATOM 788 CG TRP A 53 2.636 -3.690 6.877 1.00 0.00 C ATOM 789 CD1 TRP A 53 1.874 -4.775 6.532 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.499 -3.447 5.753 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.193 -5.201 5.258 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.181 -4.399 4.765 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.498 -2.510 5.478 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.822 -4.438 3.538 1.00 0.00 C ATOM 795 CZ3 TRP A 53 5.137 -2.554 4.256 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.794 -3.515 3.299 1.00 0.00 C ATOM 0 H TRP A 53 0.169 -2.438 8.628 1.00 0.00 H new ATOM 0 HA TRP A 53 2.597 -0.939 8.946 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.635 -2.889 8.569 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.051 -3.555 8.913 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.129 -5.232 7.167 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.762 -5.984 4.767 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.766 -1.763 6.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.559 -5.176 2.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.913 -1.836 4.035 1.00 0.00 H new ATOM 0 HH2 TRP A 53 5.311 -3.525 2.351 1.00 0.00 H new ATOM 807 N VAL A 54 1.268 -1.136 5.953 1.00 0.00 N ATOM 808 CA VAL A 54 1.375 -0.634 4.597 1.00 0.00 C ATOM 809 C VAL A 54 1.052 0.857 4.526 1.00 0.00 C ATOM 810 O VAL A 54 1.741 1.612 3.840 1.00 0.00 O ATOM 811 CB VAL A 54 0.486 -1.449 3.641 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.945 -0.941 3.614 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.075 -1.470 2.245 1.00 0.00 C ATOM 0 H VAL A 54 0.471 -1.752 6.114 1.00 0.00 H new ATOM 0 HA VAL A 54 2.410 -0.754 4.276 1.00 0.00 H new ATOM 0 HB VAL A 54 0.457 -2.470 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.533 -1.547 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.374 -1.008 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.956 0.098 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.430 -2.052 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.154 -0.450 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.066 -1.923 2.275 1.00 0.00 H new ATOM 823 N ILE A 55 0.018 1.282 5.249 1.00 0.00 N ATOM 824 CA ILE A 55 -0.347 2.688 5.286 1.00 0.00 C ATOM 825 C ILE A 55 0.760 3.506 5.932 1.00 0.00 C ATOM 826 O ILE A 55 1.105 4.580 5.439 1.00 0.00 O ATOM 827 CB ILE A 55 -1.679 2.919 6.030 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.830 2.276 5.253 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.941 4.402 6.239 1.00 0.00 C ATOM 830 CD1 ILE A 55 -4.156 2.322 5.977 1.00 0.00 C ATOM 0 H ILE A 55 -0.576 0.674 5.812 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.483 3.015 4.255 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.608 2.452 7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.934 2.780 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.578 1.237 5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.886 4.534 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.133 4.834 6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.992 4.902 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.922 1.847 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.071 1.792 6.926 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.433 3.360 6.164 1.00 0.00 H new ATOM 842 N LYS A 56 1.336 2.998 7.019 1.00 0.00 N ATOM 843 CA LYS A 56 2.445 3.698 7.643 1.00 0.00 C ATOM 844 C LYS A 56 3.644 3.725 6.703 1.00 0.00 C ATOM 845 O LYS A 56 4.241 4.773 6.497 1.00 0.00 O ATOM 846 CB LYS A 56 2.842 3.079 8.984 1.00 0.00 C ATOM 847 CG LYS A 56 3.987 3.825 9.653 1.00 0.00 C ATOM 848 CD LYS A 56 4.207 3.376 11.085 1.00 0.00 C ATOM 849 CE LYS A 56 5.356 4.139 11.731 1.00 0.00 C ATOM 850 NZ LYS A 56 5.152 5.613 11.681 1.00 0.00 N ATOM 0 H LYS A 56 1.060 2.127 7.473 1.00 0.00 H new ATOM 0 HA LYS A 56 2.113 4.717 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.978 3.074 9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.131 2.039 8.829 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.902 3.670 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.779 4.895 9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.295 3.530 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.420 2.307 11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.461 3.824 12.769 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.288 3.886 11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.905 6.086 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.180 5.934 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.228 5.850 12.096 1.00 0.00 H new ATOM 864 N CYS A 57 3.968 2.581 6.112 1.00 0.00 N ATOM 865 CA CYS A 57 5.115 2.482 5.213 1.00 0.00 C ATOM 866 C CYS A 57 4.974 3.451 4.041 1.00 0.00 C ATOM 867 O CYS A 57 5.933 4.126 3.667 1.00 0.00 O ATOM 868 CB CYS A 57 5.269 1.052 4.697 1.00 0.00 C ATOM 869 SG CYS A 57 6.730 0.791 3.663 1.00 0.00 S ATOM 0 H CYS A 57 3.454 1.709 6.238 1.00 0.00 H new ATOM 0 HA CYS A 57 6.009 2.751 5.776 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.314 0.373 5.549 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.380 0.786 4.125 1.00 0.00 H new ATOM 0 HG CYS A 57 7.122 1.929 3.171 1.00 0.00 H new ATOM 875 N ALA A 58 3.775 3.520 3.470 1.00 0.00 N ATOM 876 CA ALA A 58 3.499 4.448 2.384 1.00 0.00 C ATOM 877 C ALA A 58 3.612 5.888 2.874 1.00 0.00 C ATOM 878 O ALA A 58 4.153 6.753 2.186 1.00 0.00 O ATOM 879 CB ALA A 58 2.117 4.192 1.804 1.00 0.00 C ATOM 0 H ALA A 58 2.980 2.943 3.743 1.00 0.00 H new ATOM 0 HA ALA A 58 4.238 4.290 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.927 4.895 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.066 3.173 1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.366 4.324 2.582 1.00 0.00 H new ATOM 885 N HIS A 59 3.105 6.125 4.079 1.00 0.00 N ATOM 886 CA HIS A 59 3.160 7.438 4.710 1.00 0.00 C ATOM 887 C HIS A 59 4.613 7.889 4.888 1.00 0.00 C ATOM 888 O HIS A 59 4.987 8.989 4.467 1.00 0.00 O ATOM 889 CB HIS A 59 2.441 7.384 6.066 1.00 0.00 C ATOM 890 CG HIS A 59 2.344 8.701 6.774 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.990 8.818 8.098 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.545 9.958 6.330 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.975 10.094 8.432 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.314 10.812 7.377 1.00 0.00 N ATOM 0 H HIS A 59 2.645 5.412 4.645 1.00 0.00 H new ATOM 0 HA HIS A 59 2.659 8.164 4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.435 6.994 5.914 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.963 6.677 6.711 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.836 10.241 5.329 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.727 10.486 9.407 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.391 11.829 7.346 1.00 0.00 H new ATOM 903 N GLU A 60 5.420 7.028 5.500 1.00 0.00 N ATOM 904 CA GLU A 60 6.830 7.324 5.741 1.00 0.00 C ATOM 905 C GLU A 60 7.546 7.595 4.421 1.00 0.00 C ATOM 906 O GLU A 60 8.326 8.540 4.303 1.00 0.00 O ATOM 907 CB GLU A 60 7.521 6.152 6.447 1.00 0.00 C ATOM 908 CG GLU A 60 6.779 5.615 7.662 1.00 0.00 C ATOM 909 CD GLU A 60 6.699 6.595 8.813 1.00 0.00 C ATOM 910 OE1 GLU A 60 7.762 7.006 9.323 1.00 0.00 O ATOM 911 OE2 GLU A 60 5.573 6.923 9.242 1.00 0.00 O ATOM 0 H GLU A 60 5.120 6.114 5.840 1.00 0.00 H new ATOM 0 HA GLU A 60 6.881 8.207 6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.653 5.341 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.517 6.468 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.768 5.336 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.273 4.706 8.005 1.00 0.00 H new ATOM 918 N ALA A 61 7.263 6.756 3.430 1.00 0.00 N ATOM 919 CA ALA A 61 7.911 6.847 2.131 1.00 0.00 C ATOM 920 C ALA A 61 7.557 8.141 1.414 1.00 0.00 C ATOM 921 O ALA A 61 8.429 8.801 0.847 1.00 0.00 O ATOM 922 CB ALA A 61 7.539 5.651 1.271 1.00 0.00 C ATOM 0 H ALA A 61 6.583 6.000 3.506 1.00 0.00 H new ATOM 0 HA ALA A 61 8.988 6.846 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.031 5.733 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.860 4.734 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.459 5.627 1.128 1.00 0.00 H new ATOM 928 N LEU A 62 6.280 8.507 1.450 1.00 0.00 N ATOM 929 CA LEU A 62 5.811 9.678 0.726 1.00 0.00 C ATOM 930 C LEU A 62 6.379 10.962 1.310 1.00 0.00 C ATOM 931 O LEU A 62 6.840 11.817 0.572 1.00 0.00 O ATOM 932 CB LEU A 62 4.291 9.767 0.718 1.00 0.00 C ATOM 933 CG LEU A 62 3.737 10.952 -0.076 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.526 10.573 -1.529 1.00 0.00 C ATOM 935 CD2 LEU A 62 2.449 11.457 0.536 1.00 0.00 C ATOM 0 H LEU A 62 5.556 8.011 1.971 1.00 0.00 H new ATOM 0 HA LEU A 62 6.164 9.564 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.886 8.844 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.937 9.836 1.747 1.00 0.00 H new ATOM 0 HG LEU A 62 4.470 11.758 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.132 11.430 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.477 10.269 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.818 9.747 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.075 12.299 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.708 10.658 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.635 11.778 1.561 1.00 0.00 H new ATOM 947 N GLU A 63 6.343 11.107 2.629 1.00 0.00 N ATOM 948 CA GLU A 63 6.847 12.328 3.253 1.00 0.00 C ATOM 949 C GLU A 63 8.361 12.439 3.112 1.00 0.00 C ATOM 950 O GLU A 63 8.911 13.540 3.138 1.00 0.00 O ATOM 951 CB GLU A 63 6.447 12.423 4.727 1.00 0.00 C ATOM 952 CG GLU A 63 4.976 12.742 4.941 1.00 0.00 C ATOM 953 CD GLU A 63 4.705 13.300 6.322 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.819 14.529 6.502 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.386 12.515 7.240 1.00 0.00 O ATOM 0 H GLU A 63 5.978 10.410 3.278 1.00 0.00 H new ATOM 0 HA GLU A 63 6.386 13.163 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.680 11.479 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.050 13.192 5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.649 13.461 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.385 11.838 4.794 1.00 0.00 H new ATOM 962 N LYS A 64 9.033 11.300 2.977 1.00 0.00 N ATOM 963 CA LYS A 64 10.476 11.294 2.778 1.00 0.00 C ATOM 964 C LYS A 64 10.799 11.973 1.449 1.00 0.00 C ATOM 965 O LYS A 64 11.647 12.864 1.376 1.00 0.00 O ATOM 966 CB LYS A 64 11.005 9.852 2.793 1.00 0.00 C ATOM 967 CG LYS A 64 12.479 9.721 3.170 1.00 0.00 C ATOM 968 CD LYS A 64 13.404 10.253 2.087 1.00 0.00 C ATOM 969 CE LYS A 64 14.860 10.196 2.517 1.00 0.00 C ATOM 970 NZ LYS A 64 15.126 11.050 3.705 1.00 0.00 N ATOM 0 H LYS A 64 8.604 10.375 3.002 1.00 0.00 H new ATOM 0 HA LYS A 64 10.961 11.841 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.410 9.268 3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.855 9.413 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.663 10.261 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.711 8.673 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.270 9.671 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.134 11.282 1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.130 9.165 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.494 10.517 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.151 11.186 3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.665 11.974 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.747 10.588 4.556 1.00 0.00 H new ATOM 984 N ASN A 65 10.087 11.562 0.409 1.00 0.00 N ATOM 985 CA ASN A 65 10.248 12.136 -0.917 1.00 0.00 C ATOM 986 C ASN A 65 8.882 12.493 -1.508 1.00 0.00 C ATOM 987 O ASN A 65 8.372 11.808 -2.395 1.00 0.00 O ATOM 988 CB ASN A 65 11.015 11.177 -1.845 1.00 0.00 C ATOM 989 CG ASN A 65 10.480 9.748 -1.833 1.00 0.00 C ATOM 990 OD1 ASN A 65 10.949 8.903 -1.071 1.00 0.00 O ATOM 991 ND2 ASN A 65 9.499 9.474 -2.676 1.00 0.00 N ATOM 0 H ASN A 65 9.385 10.824 0.461 1.00 0.00 H new ATOM 0 HA ASN A 65 10.836 13.050 -0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.974 11.562 -2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.065 11.164 -1.551 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.104 8.534 -2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.137 10.202 -3.292 1.00 0.00 H new ATOM 998 N PRO A 66 8.272 13.593 -1.034 1.00 0.00 N ATOM 999 CA PRO A 66 6.911 13.990 -1.429 1.00 0.00 C ATOM 1000 C PRO A 66 6.851 14.559 -2.848 1.00 0.00 C ATOM 1001 O PRO A 66 6.185 15.560 -3.114 1.00 0.00 O ATOM 1002 CB PRO A 66 6.553 15.048 -0.384 1.00 0.00 C ATOM 1003 CG PRO A 66 7.860 15.661 -0.023 1.00 0.00 C ATOM 1004 CD PRO A 66 8.859 14.539 -0.065 1.00 0.00 C ATOM 0 HA PRO A 66 6.220 13.148 -1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.863 15.789 -0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.069 14.602 0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.129 16.451 -0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.820 16.113 0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.840 14.887 -0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.990 14.081 0.915 1.00 0.00 H new ATOM 1012 N LYS A 67 7.548 13.893 -3.753 1.00 0.00 N ATOM 1013 CA LYS A 67 7.624 14.300 -5.145 1.00 0.00 C ATOM 1014 C LYS A 67 7.279 13.122 -6.048 1.00 0.00 C ATOM 1015 O LYS A 67 7.477 13.176 -7.260 1.00 0.00 O ATOM 1016 CB LYS A 67 9.030 14.802 -5.482 1.00 0.00 C ATOM 1017 CG LYS A 67 9.531 15.905 -4.568 1.00 0.00 C ATOM 1018 CD LYS A 67 10.926 16.350 -4.968 1.00 0.00 C ATOM 1019 CE LYS A 67 11.489 17.373 -3.999 1.00 0.00 C ATOM 1020 NZ LYS A 67 12.834 17.847 -4.421 1.00 0.00 N ATOM 0 H LYS A 67 8.080 13.049 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 67 6.911 15.108 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.724 13.963 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.038 15.165 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.849 16.754 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.540 15.552 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.587 15.484 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.898 16.776 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.809 18.222 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.553 16.934 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.187 18.545 -3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.489 17.040 -4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.768 18.288 -5.361 1.00 0.00 H new ATOM 1034 N ILE A 68 6.779 12.051 -5.447 1.00 0.00 N ATOM 1035 CA ILE A 68 6.415 10.863 -6.203 1.00 0.00 C ATOM 1036 C ILE A 68 4.926 10.834 -6.485 1.00 0.00 C ATOM 1037 O ILE A 68 4.182 11.724 -6.073 1.00 0.00 O ATOM 1038 CB ILE A 68 6.803 9.556 -5.481 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.285 9.552 -4.034 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.308 9.354 -5.538 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.451 8.221 -3.335 1.00 0.00 C ATOM 0 H ILE A 68 6.617 11.981 -4.442 1.00 0.00 H new ATOM 0 HA ILE A 68 6.975 10.921 -7.137 1.00 0.00 H new ATOM 0 HB ILE A 68 6.330 8.719 -5.994 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.812 10.319 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.229 9.824 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.571 8.429 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.628 9.296 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.806 10.192 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.064 8.293 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.901 7.453 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.508 7.956 -3.303 1.00 0.00 H new ATOM 1053 N ARG A 69 4.507 9.800 -7.184 1.00 0.00 N ATOM 1054 CA ARG A 69 3.110 9.642 -7.563 1.00 0.00 C ATOM 1055 C ARG A 69 2.619 8.262 -7.159 1.00 0.00 C ATOM 1056 O ARG A 69 1.421 8.006 -7.098 1.00 0.00 O ATOM 1057 CB ARG A 69 2.935 9.825 -9.072 1.00 0.00 C ATOM 1058 CG ARG A 69 1.485 10.021 -9.490 1.00 0.00 C ATOM 1059 CD ARG A 69 1.281 9.757 -10.973 1.00 0.00 C ATOM 1060 NE ARG A 69 1.389 8.332 -11.294 1.00 0.00 N ATOM 1061 CZ ARG A 69 0.695 7.731 -12.262 1.00 0.00 C ATOM 1062 NH1 ARG A 69 -0.138 8.429 -13.021 1.00 0.00 N ATOM 1063 NH2 ARG A 69 0.832 6.428 -12.467 1.00 0.00 N ATOM 0 H ARG A 69 5.116 9.048 -7.506 1.00 0.00 H new ATOM 0 HA ARG A 69 2.525 10.404 -7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.519 10.686 -9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.340 8.953 -9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.847 9.353 -8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.175 11.039 -9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.300 10.124 -11.276 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.021 10.315 -11.546 1.00 0.00 H new ATOM 0 HE ARG A 69 2.034 7.765 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.251 9.431 -12.866 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.666 7.964 -13.760 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.468 5.884 -11.884 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.301 5.970 -13.207 1.00 0.00 H new ATOM 1077 N GLU A 70 3.561 7.367 -6.920 1.00 0.00 N ATOM 1078 CA GLU A 70 3.257 6.024 -6.472 1.00 0.00 C ATOM 1079 C GLU A 70 4.525 5.373 -5.936 1.00 0.00 C ATOM 1080 O GLU A 70 5.633 5.801 -6.260 1.00 0.00 O ATOM 1081 CB GLU A 70 2.669 5.206 -7.624 1.00 0.00 C ATOM 1082 CG GLU A 70 3.577 5.159 -8.845 1.00 0.00 C ATOM 1083 CD GLU A 70 2.979 4.411 -10.016 1.00 0.00 C ATOM 1084 OE1 GLU A 70 3.091 3.172 -10.059 1.00 0.00 O ATOM 1085 OE2 GLU A 70 2.423 5.068 -10.920 1.00 0.00 O ATOM 0 H GLU A 70 4.558 7.553 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 70 2.516 6.063 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.479 4.189 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.707 5.631 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.808 6.178 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.521 4.689 -8.568 1.00 0.00 H new ATOM 1092 N VAL A 71 4.365 4.359 -5.107 1.00 0.00 N ATOM 1093 CA VAL A 71 5.499 3.647 -4.551 1.00 0.00 C ATOM 1094 C VAL A 71 5.322 2.148 -4.762 1.00 0.00 C ATOM 1095 O VAL A 71 4.193 1.646 -4.833 1.00 0.00 O ATOM 1096 CB VAL A 71 5.686 3.971 -3.046 1.00 0.00 C ATOM 1097 CG1 VAL A 71 4.538 3.427 -2.215 1.00 0.00 C ATOM 1098 CG2 VAL A 71 7.022 3.455 -2.530 1.00 0.00 C ATOM 0 H VAL A 71 3.456 4.009 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 71 6.399 3.975 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 71 5.685 5.056 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.701 3.672 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.602 3.874 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.486 2.344 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.122 3.698 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.069 2.374 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.833 3.923 -3.088 1.00 0.00 H new ATOM 1108 N TYR A 72 6.430 1.432 -4.865 1.00 0.00 N ATOM 1109 CA TYR A 72 6.381 0.011 -5.133 1.00 0.00 C ATOM 1110 C TYR A 72 6.803 -0.744 -3.901 1.00 0.00 C ATOM 1111 O TYR A 72 7.954 -0.704 -3.471 1.00 0.00 O ATOM 1112 CB TYR A 72 7.250 -0.334 -6.344 1.00 0.00 C ATOM 1113 CG TYR A 72 6.851 0.451 -7.573 1.00 0.00 C ATOM 1114 CD1 TYR A 72 5.828 0.009 -8.402 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.472 1.655 -7.884 1.00 0.00 C ATOM 1116 CE1 TYR A 72 5.436 0.744 -9.503 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.091 2.392 -8.987 1.00 0.00 C ATOM 1118 CZ TYR A 72 6.071 1.933 -9.791 1.00 0.00 C ATOM 1119 OH TYR A 72 5.669 2.675 -10.878 1.00 0.00 O ATOM 0 H TYR A 72 7.371 1.814 -4.767 1.00 0.00 H new ATOM 0 HA TYR A 72 5.361 -0.284 -5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.295 -0.132 -6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.171 -1.401 -6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.331 -0.924 -8.182 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.267 2.020 -7.251 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.636 0.389 -10.135 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.589 3.322 -9.218 1.00 0.00 H new ATOM 0 HH TYR A 72 4.705 2.842 -10.822 1.00 0.00 H new ATOM 1129 N LEU A 73 5.836 -1.439 -3.350 1.00 0.00 N ATOM 1130 CA LEU A 73 5.917 -1.941 -2.004 1.00 0.00 C ATOM 1131 C LEU A 73 5.663 -3.446 -1.977 1.00 0.00 C ATOM 1132 O LEU A 73 4.881 -3.968 -2.770 1.00 0.00 O ATOM 1133 CB LEU A 73 4.894 -1.155 -1.180 1.00 0.00 C ATOM 1134 CG LEU A 73 4.768 -1.544 0.276 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.372 -0.338 1.115 1.00 0.00 C ATOM 1136 CD2 LEU A 73 3.737 -2.643 0.422 1.00 0.00 C ATOM 0 H LEU A 73 4.966 -1.672 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 73 6.912 -1.803 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.153 -0.097 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.917 -1.267 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 73 5.732 -1.908 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.285 -0.635 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.132 0.437 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.414 0.049 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.648 -2.921 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.773 -2.288 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.047 -3.512 -0.159 1.00 0.00 H new ATOM 1148 N LYS A 74 6.348 -4.152 -1.094 1.00 0.00 N ATOM 1149 CA LYS A 74 6.185 -5.591 -1.000 1.00 0.00 C ATOM 1150 C LYS A 74 5.865 -6.019 0.430 1.00 0.00 C ATOM 1151 O LYS A 74 6.505 -5.561 1.377 1.00 0.00 O ATOM 1152 CB LYS A 74 7.432 -6.328 -1.479 1.00 0.00 C ATOM 1153 CG LYS A 74 7.176 -7.812 -1.657 1.00 0.00 C ATOM 1154 CD LYS A 74 8.452 -8.610 -1.784 1.00 0.00 C ATOM 1155 CE LYS A 74 8.132 -10.084 -1.947 1.00 0.00 C ATOM 1156 NZ LYS A 74 9.347 -10.931 -1.793 1.00 0.00 N ATOM 0 H LYS A 74 7.018 -3.755 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 74 5.349 -5.856 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.766 -5.901 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.239 -6.182 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.603 -8.183 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.565 -7.967 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.026 -8.258 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.073 -8.460 -0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.387 -10.379 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.692 -10.254 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.586 -11.365 -2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.142 -10.343 -1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.163 -11.678 -1.093 1.00 0.00 H new ATOM 1170 N PRO A 75 4.834 -6.876 0.577 1.00 0.00 N ATOM 1171 CA PRO A 75 4.422 -7.494 1.845 1.00 0.00 C ATOM 1172 C PRO A 75 5.544 -7.811 2.821 1.00 0.00 C ATOM 1173 O PRO A 75 6.622 -8.283 2.445 1.00 0.00 O ATOM 1174 CB PRO A 75 3.773 -8.769 1.350 1.00 0.00 C ATOM 1175 CG PRO A 75 3.021 -8.294 0.172 1.00 0.00 C ATOM 1176 CD PRO A 75 3.939 -7.317 -0.514 1.00 0.00 C ATOM 0 HA PRO A 75 3.793 -6.822 2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.511 -9.526 1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.118 -9.211 2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.761 -9.121 -0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.087 -7.816 0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.494 -7.787 -1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.388 -6.482 -0.946 1.00 0.00 H new ATOM 1184 N ARG A 76 5.236 -7.559 4.092 1.00 0.00 N ATOM 1185 CA ARG A 76 6.134 -7.802 5.203 1.00 0.00 C ATOM 1186 C ARG A 76 6.522 -9.274 5.247 1.00 0.00 C ATOM 1187 O ARG A 76 7.670 -9.622 5.541 1.00 0.00 O ATOM 1188 CB ARG A 76 5.427 -7.401 6.496 1.00 0.00 C ATOM 1189 CG ARG A 76 6.358 -7.196 7.669 1.00 0.00 C ATOM 1190 CD ARG A 76 5.597 -6.749 8.907 1.00 0.00 C ATOM 1191 NE ARG A 76 4.639 -7.758 9.360 1.00 0.00 N ATOM 1192 CZ ARG A 76 3.754 -7.561 10.337 1.00 0.00 C ATOM 1193 NH1 ARG A 76 3.682 -6.384 10.945 1.00 0.00 N ATOM 1194 NH2 ARG A 76 2.936 -8.540 10.703 1.00 0.00 N ATOM 0 H ARG A 76 4.336 -7.173 4.376 1.00 0.00 H new ATOM 0 HA ARG A 76 7.043 -7.213 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.870 -6.480 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.699 -8.170 6.753 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.889 -8.124 7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.110 -6.450 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.304 -6.535 9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.069 -5.820 8.692 1.00 0.00 H new ATOM 0 HE ARG A 76 4.649 -8.668 8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.305 -5.626 10.665 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.004 -6.237 11.692 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.984 -9.446 10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.260 -8.387 11.451 1.00 0.00 H new ATOM 1208 N ALA A 77 5.551 -10.130 4.959 1.00 0.00 N ATOM 1209 CA ALA A 77 5.795 -11.553 4.801 1.00 0.00 C ATOM 1210 C ALA A 77 6.418 -11.811 3.436 1.00 0.00 C ATOM 1211 O ALA A 77 5.765 -12.304 2.512 1.00 0.00 O ATOM 1212 CB ALA A 77 4.501 -12.341 4.964 1.00 0.00 C ATOM 0 H ALA A 77 4.577 -9.857 4.829 1.00 0.00 H new ATOM 0 HA ALA A 77 6.486 -11.886 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.705 -13.405 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.089 -12.162 5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.782 -12.021 4.210 1.00 0.00 H new ATOM 1218 N VAL A 78 7.692 -11.459 3.320 1.00 0.00 N ATOM 1219 CA VAL A 78 8.428 -11.565 2.065 1.00 0.00 C ATOM 1220 C VAL A 78 8.444 -12.995 1.526 1.00 0.00 C ATOM 1221 O VAL A 78 8.669 -13.209 0.334 1.00 0.00 O ATOM 1222 CB VAL A 78 9.877 -11.058 2.228 1.00 0.00 C ATOM 1223 CG1 VAL A 78 9.891 -9.573 2.558 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.611 -11.850 3.302 1.00 0.00 C ATOM 0 H VAL A 78 8.246 -11.091 4.094 1.00 0.00 H new ATOM 0 HA VAL A 78 7.905 -10.936 1.344 1.00 0.00 H new ATOM 0 HB VAL A 78 10.396 -11.206 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.921 -9.235 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.411 -9.017 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.351 -9.402 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.630 -11.475 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.092 -11.740 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.637 -12.903 3.023 1.00 0.00 H new ATOM 1234 N LYS A 79 8.177 -13.960 2.405 1.00 0.00 N ATOM 1235 CA LYS A 79 8.135 -15.372 2.031 1.00 0.00 C ATOM 1236 C LYS A 79 7.062 -15.644 0.978 1.00 0.00 C ATOM 1237 O LYS A 79 7.162 -16.614 0.224 1.00 0.00 O ATOM 1238 CB LYS A 79 7.895 -16.250 3.262 1.00 0.00 C ATOM 1239 CG LYS A 79 9.060 -16.252 4.238 1.00 0.00 C ATOM 1240 CD LYS A 79 8.813 -17.193 5.409 1.00 0.00 C ATOM 1241 CE LYS A 79 9.992 -17.211 6.372 1.00 0.00 C ATOM 1242 NZ LYS A 79 11.230 -17.746 5.739 1.00 0.00 N ATOM 0 H LYS A 79 7.985 -13.786 3.391 1.00 0.00 H new ATOM 0 HA LYS A 79 9.104 -15.622 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.999 -15.903 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.700 -17.272 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.970 -16.550 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.223 -15.241 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.913 -16.885 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.633 -18.201 5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.179 -16.200 6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.739 -17.818 7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.949 -17.914 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.013 -18.640 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.593 -17.057 5.049 1.00 0.00 H new ATOM 1256 N ASN A 80 6.048 -14.777 0.913 1.00 0.00 N ATOM 1257 CA ASN A 80 4.977 -14.932 -0.071 1.00 0.00 C ATOM 1258 C ASN A 80 5.540 -14.808 -1.480 1.00 0.00 C ATOM 1259 O ASN A 80 5.065 -15.456 -2.409 1.00 0.00 O ATOM 1260 CB ASN A 80 3.894 -13.879 0.109 1.00 0.00 C ATOM 1261 CG ASN A 80 3.138 -14.008 1.406 1.00 0.00 C ATOM 1262 OD1 ASN A 80 3.035 -15.092 1.982 1.00 0.00 O ATOM 1263 ND2 ASN A 80 2.585 -12.904 1.866 1.00 0.00 N ATOM 0 H ASN A 80 5.947 -13.967 1.525 1.00 0.00 H new ATOM 0 HA ASN A 80 4.539 -15.919 0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.349 -12.890 0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.190 -13.948 -0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.046 -12.926 2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.696 -12.027 1.356 1.00 0.00 H new ATOM 1270 N SER A 81 6.559 -13.956 -1.607 1.00 0.00 N ATOM 1271 CA SER A 81 7.317 -13.781 -2.846 1.00 0.00 C ATOM 1272 C SER A 81 6.511 -13.095 -3.952 1.00 0.00 C ATOM 1273 O SER A 81 6.795 -11.953 -4.314 1.00 0.00 O ATOM 1274 CB SER A 81 7.848 -15.131 -3.335 1.00 0.00 C ATOM 1275 OG SER A 81 8.554 -15.798 -2.301 1.00 0.00 O ATOM 0 H SER A 81 6.884 -13.362 -0.844 1.00 0.00 H new ATOM 0 HA SER A 81 8.151 -13.119 -2.613 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.019 -15.752 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.505 -14.980 -4.192 1.00 0.00 H new ATOM 0 HG SER A 81 7.924 -16.084 -1.607 1.00 0.00 H new ATOM 1281 N SER A 82 5.501 -13.783 -4.460 1.00 0.00 N ATOM 1282 CA SER A 82 4.811 -13.368 -5.669 1.00 0.00 C ATOM 1283 C SER A 82 3.895 -12.167 -5.457 1.00 0.00 C ATOM 1284 O SER A 82 3.564 -11.470 -6.410 1.00 0.00 O ATOM 1285 CB SER A 82 4.005 -14.548 -6.219 1.00 0.00 C ATOM 1286 OG SER A 82 4.834 -15.685 -6.400 1.00 0.00 O ATOM 0 H SER A 82 5.138 -14.642 -4.047 1.00 0.00 H new ATOM 0 HA SER A 82 5.572 -13.054 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.193 -14.790 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.548 -14.271 -7.169 1.00 0.00 H new ATOM 0 HG SER A 82 4.299 -16.428 -6.750 1.00 0.00 H new ATOM 1292 N VAL A 83 3.516 -11.893 -4.222 1.00 0.00 N ATOM 1293 CA VAL A 83 2.550 -10.833 -3.967 1.00 0.00 C ATOM 1294 C VAL A 83 3.253 -9.481 -3.841 1.00 0.00 C ATOM 1295 O VAL A 83 4.238 -9.336 -3.112 1.00 0.00 O ATOM 1296 CB VAL A 83 1.714 -11.131 -2.697 1.00 0.00 C ATOM 1297 CG1 VAL A 83 2.616 -11.382 -1.505 1.00 0.00 C ATOM 1298 CG2 VAL A 83 0.730 -10.007 -2.404 1.00 0.00 C ATOM 0 H VAL A 83 3.854 -12.378 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 83 1.868 -10.791 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 83 1.136 -12.036 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.007 -11.589 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.260 -12.237 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.231 -10.501 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.159 -10.248 -1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.276 -9.077 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.049 -9.891 -3.247 1.00 0.00 H new ATOM 1308 N GLN A 84 2.750 -8.505 -4.587 1.00 0.00 N ATOM 1309 CA GLN A 84 3.325 -7.170 -4.619 1.00 0.00 C ATOM 1310 C GLN A 84 2.232 -6.125 -4.417 1.00 0.00 C ATOM 1311 O GLN A 84 1.149 -6.238 -4.992 1.00 0.00 O ATOM 1312 CB GLN A 84 4.015 -6.919 -5.967 1.00 0.00 C ATOM 1313 CG GLN A 84 5.069 -7.954 -6.339 1.00 0.00 C ATOM 1314 CD GLN A 84 6.298 -7.898 -5.454 1.00 0.00 C ATOM 1315 OE1 GLN A 84 6.671 -6.839 -4.946 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.943 -9.037 -5.268 1.00 0.00 N ATOM 0 H GLN A 84 1.932 -8.619 -5.186 1.00 0.00 H new ATOM 0 HA GLN A 84 4.059 -7.093 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.257 -6.893 -6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.483 -5.935 -5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.629 -8.949 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.368 -7.802 -7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.603 -9.893 -5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.781 -9.060 -4.687 1.00 0.00 H new ATOM 1325 N PHE A 85 2.512 -5.110 -3.611 1.00 0.00 N ATOM 1326 CA PHE A 85 1.560 -4.030 -3.401 1.00 0.00 C ATOM 1327 C PHE A 85 2.015 -2.766 -4.118 1.00 0.00 C ATOM 1328 O PHE A 85 3.135 -2.293 -3.940 1.00 0.00 O ATOM 1329 CB PHE A 85 1.365 -3.728 -1.913 1.00 0.00 C ATOM 1330 CG PHE A 85 0.621 -4.793 -1.153 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.544 -5.346 -1.660 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.086 -5.232 0.074 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.229 -6.320 -0.958 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.407 -6.203 0.782 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.751 -6.750 0.266 1.00 0.00 C ATOM 0 H PHE A 85 3.386 -5.013 -3.095 1.00 0.00 H new ATOM 0 HA PHE A 85 0.606 -4.359 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.343 -3.587 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.827 -2.785 -1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.921 -5.012 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 85 1.992 -4.809 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.135 -6.744 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.781 -6.535 1.739 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.282 -7.512 0.817 1.00 0.00 H new ATOM 1345 N HIS A 86 1.141 -2.228 -4.941 1.00 0.00 N ATOM 1346 CA HIS A 86 1.419 -0.994 -5.650 1.00 0.00 C ATOM 1347 C HIS A 86 0.640 0.139 -5.013 1.00 0.00 C ATOM 1348 O HIS A 86 -0.569 0.235 -5.194 1.00 0.00 O ATOM 1349 CB HIS A 86 1.035 -1.112 -7.128 1.00 0.00 C ATOM 1350 CG HIS A 86 1.836 -2.123 -7.888 1.00 0.00 C ATOM 1351 ND1 HIS A 86 2.696 -1.791 -8.909 1.00 0.00 N ATOM 1352 CD2 HIS A 86 1.898 -3.470 -7.771 1.00 0.00 C ATOM 1353 CE1 HIS A 86 3.250 -2.890 -9.388 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.784 -3.920 -8.713 1.00 0.00 N ATOM 0 H HIS A 86 0.224 -2.629 -5.138 1.00 0.00 H new ATOM 0 HA HIS A 86 2.488 -0.792 -5.588 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.021 -1.373 -7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.155 -0.138 -7.602 1.00 0.00 H new ATOM 0 HD2 HIS A 86 1.350 -4.077 -7.066 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.964 -2.936 -10.197 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.041 -4.895 -8.867 1.00 0.00 H new ATOM 1363 N VAL A 87 1.314 0.988 -4.263 1.00 0.00 N ATOM 1364 CA VAL A 87 0.630 2.085 -3.615 1.00 0.00 C ATOM 1365 C VAL A 87 0.682 3.304 -4.511 1.00 0.00 C ATOM 1366 O VAL A 87 1.744 3.872 -4.746 1.00 0.00 O ATOM 1367 CB VAL A 87 1.239 2.416 -2.237 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.701 3.735 -1.711 1.00 0.00 C ATOM 1369 CG2 VAL A 87 0.957 1.301 -1.244 1.00 0.00 C ATOM 0 H VAL A 87 2.318 0.940 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.404 1.785 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 87 2.318 2.508 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.145 3.947 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.954 4.535 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.382 3.671 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.395 1.554 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.120 1.177 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.394 0.371 -1.608 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.471 3.690 -5.020 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.553 4.807 -5.934 1.00 0.00 C ATOM 1381 C ILE A 88 -1.144 6.010 -5.230 1.00 0.00 C ATOM 1382 O ILE A 88 -2.109 5.891 -4.472 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.388 4.454 -7.178 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.780 3.239 -7.883 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.466 5.640 -8.132 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.603 2.727 -9.044 1.00 0.00 C ATOM 0 H ILE A 88 -1.365 3.244 -4.814 1.00 0.00 H new ATOM 0 HA ILE A 88 0.457 5.046 -6.267 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.402 4.210 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.215 3.501 -8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.655 2.435 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.061 5.367 -9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.932 6.485 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.461 5.917 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.106 1.866 -9.491 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.590 2.432 -8.688 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.707 3.514 -9.791 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.556 7.159 -5.485 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.940 8.380 -4.825 1.00 0.00 C ATOM 1400 C PHE A 89 -1.778 9.249 -5.749 1.00 0.00 C ATOM 1401 O PHE A 89 -1.269 9.792 -6.732 1.00 0.00 O ATOM 1402 CB PHE A 89 0.308 9.122 -4.383 1.00 0.00 C ATOM 1403 CG PHE A 89 1.022 8.378 -3.309 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.440 8.245 -2.064 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.240 7.772 -3.551 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.064 7.528 -1.074 1.00 0.00 C ATOM 1407 CE2 PHE A 89 2.866 7.047 -2.563 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.273 6.928 -1.323 1.00 0.00 C ATOM 0 H PHE A 89 0.203 7.269 -6.158 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.546 8.140 -3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.972 9.263 -5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.037 10.115 -4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.515 8.709 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.704 7.868 -4.522 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.605 7.436 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.817 6.573 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.762 6.360 -0.545 1.00 0.00 H new ATOM 1418 N ASP A 90 -3.059 9.370 -5.450 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.947 10.185 -6.270 1.00 0.00 C ATOM 1420 C ASP A 90 -3.733 11.661 -5.970 1.00 0.00 C ATOM 1421 O ASP A 90 -3.980 12.124 -4.854 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.418 9.821 -6.041 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.763 8.414 -6.504 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -6.116 8.240 -7.694 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.709 7.478 -5.680 1.00 0.00 O ATOM 0 H ASP A 90 -3.508 8.920 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.706 9.986 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.648 9.915 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.049 10.536 -6.569 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.260 12.391 -6.968 1.00 0.00 N ATOM 1431 CA GLU A 91 -2.997 13.811 -6.821 1.00 0.00 C ATOM 1432 C GLU A 91 -4.274 14.608 -7.066 1.00 0.00 C ATOM 1433 O GLU A 91 -5.008 14.346 -8.018 1.00 0.00 O ATOM 1434 CB GLU A 91 -1.880 14.269 -7.774 1.00 0.00 C ATOM 1435 CG GLU A 91 -2.194 14.113 -9.261 1.00 0.00 C ATOM 1436 CD GLU A 91 -2.092 12.683 -9.762 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -3.063 11.910 -9.595 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -1.047 12.327 -10.340 1.00 0.00 O ATOM 0 H GLU A 91 -3.050 12.019 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.659 13.994 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.659 15.317 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.976 13.704 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.201 14.484 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.510 14.739 -9.835 1.00 0.00 H new