USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 Single : A 12 LYS NZ :NH3+ -115:sc= -0.93 (180deg=-2.57!) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= -0.0886 (180deg=-0.629) USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= -0.88 (180deg=-1.83) USER MOD Single : A 22 GLN : amide:sc= -0.715 K(o=-0.72,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -1.86 K(o=-1.9,f=-8.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-4.8!) USER MOD Single : A 35 MET CE :methyl 163:sc= -0.0833 (180deg=-0.448) USER MOD Single : A 37 ASN : amide:sc= -0.0758 K(o=-0.076,f=-1.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00234 USER MOD Single : A 49 GLN : amide:sc= -5.76! C(o=-5.8!,f=-8.6!) USER MOD Single : A 50 MET CE :methyl -157:sc= -0.758 (180deg=-1.91) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.386 (180deg=-1.48!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 63 ASN :FLIP amide:sc= -1.58! C(o=-7.5!,f=-1.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -148:sc= -0.727 (180deg=-2.52!) USER MOD Single : A 71 MET CE :methyl -158:sc= -0.107 (180deg=-0.608) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 75:sc= 0.0891 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 14.307 -1.042 -2.617 1.00 0.00 N ATOM 108 CA GLU A 9 14.010 -0.388 -3.887 1.00 0.00 C ATOM 109 C GLU A 9 12.555 -0.619 -4.280 1.00 0.00 C ATOM 110 O GLU A 9 11.895 0.274 -4.807 1.00 0.00 O ATOM 111 CB GLU A 9 14.930 -0.930 -4.982 1.00 0.00 C ATOM 112 CG GLU A 9 14.663 -0.183 -6.290 1.00 0.00 C ATOM 113 CD GLU A 9 15.631 -0.657 -7.368 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.306 -1.646 -7.137 1.00 0.00 O ATOM 115 OE2 GLU A 9 15.681 -0.025 -8.411 1.00 0.00 O ATOM 0 HA GLU A 9 14.177 0.683 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.973 -0.809 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.759 -1.998 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.636 -0.353 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.775 0.890 -6.135 1.00 0.00 H new ATOM 122 N GLU A 10 12.060 -1.824 -4.023 1.00 0.00 N ATOM 123 CA GLU A 10 10.682 -2.157 -4.362 1.00 0.00 C ATOM 124 C GLU A 10 9.704 -1.263 -3.607 1.00 0.00 C ATOM 125 O GLU A 10 8.859 -0.605 -4.209 1.00 0.00 O ATOM 126 CB GLU A 10 10.401 -3.624 -4.015 1.00 0.00 C ATOM 127 CG GLU A 10 8.941 -3.963 -4.338 1.00 0.00 C ATOM 128 CD GLU A 10 8.667 -5.433 -4.045 1.00 0.00 C ATOM 129 OE1 GLU A 10 9.623 -6.182 -3.932 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.503 -5.787 -3.933 1.00 0.00 O ATOM 0 H GLU A 10 12.586 -2.580 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 10 10.547 -1.998 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.069 -4.275 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.600 -3.802 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.274 -3.336 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.733 -3.748 -5.386 1.00 0.00 H new ATOM 137 N LEU A 11 9.821 -1.252 -2.286 1.00 0.00 N ATOM 138 CA LEU A 11 8.936 -0.447 -1.462 1.00 0.00 C ATOM 139 C LEU A 11 9.105 1.032 -1.772 1.00 0.00 C ATOM 140 O LEU A 11 8.127 1.770 -1.844 1.00 0.00 O ATOM 141 CB LEU A 11 9.232 -0.697 0.028 1.00 0.00 C ATOM 142 CG LEU A 11 8.503 -1.953 0.501 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.047 -3.177 -0.233 1.00 0.00 C ATOM 144 CD2 LEU A 11 8.708 -2.125 2.006 1.00 0.00 C ATOM 0 H LEU A 11 10.516 -1.788 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 11 7.908 -0.735 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.305 -0.810 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.915 0.162 0.619 1.00 0.00 H new ATOM 0 HG LEU A 11 7.439 -1.852 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.523 -4.069 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.895 -3.056 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.112 -3.281 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.188 -3.021 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.773 -2.221 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.310 -1.256 2.529 1.00 0.00 H new ATOM 156 N LYS A 12 10.348 1.460 -1.945 1.00 0.00 N ATOM 157 CA LYS A 12 10.620 2.862 -2.233 1.00 0.00 C ATOM 158 C LYS A 12 10.028 3.278 -3.569 1.00 0.00 C ATOM 159 O LYS A 12 9.327 4.284 -3.664 1.00 0.00 O ATOM 160 CB LYS A 12 12.130 3.099 -2.244 1.00 0.00 C ATOM 161 CG LYS A 12 12.410 4.594 -2.417 1.00 0.00 C ATOM 162 CD LYS A 12 13.867 4.884 -2.032 1.00 0.00 C ATOM 163 CE LYS A 12 14.050 4.723 -0.506 1.00 0.00 C ATOM 164 NZ LYS A 12 14.604 3.370 -0.224 1.00 0.00 N ATOM 0 H LYS A 12 11.175 0.865 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 12 10.154 3.465 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.572 2.740 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.592 2.535 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.228 4.893 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.734 5.177 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.534 4.203 -2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.138 5.895 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.722 5.492 -0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.095 4.852 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.907 2.814 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.815 2.888 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.477 3.462 0.334 1.00 0.00 H new ATOM 178 N GLU A 13 10.312 2.497 -4.605 1.00 0.00 N ATOM 179 CA GLU A 13 9.799 2.800 -5.934 1.00 0.00 C ATOM 180 C GLU A 13 8.271 2.791 -5.943 1.00 0.00 C ATOM 181 O GLU A 13 7.626 3.724 -6.442 1.00 0.00 O ATOM 182 CB GLU A 13 10.326 1.769 -6.943 1.00 0.00 C ATOM 183 CG GLU A 13 11.796 2.055 -7.256 1.00 0.00 C ATOM 184 CD GLU A 13 12.312 1.060 -8.292 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.537 0.214 -8.708 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.475 1.158 -8.650 1.00 0.00 O ATOM 0 H GLU A 13 10.889 1.658 -4.551 1.00 0.00 H new ATOM 0 HA GLU A 13 10.142 3.796 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.220 0.763 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.736 1.808 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.905 3.073 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.391 1.985 -6.345 1.00 0.00 H new ATOM 193 N ALA A 14 7.693 1.738 -5.375 1.00 0.00 N ATOM 194 CA ALA A 14 6.244 1.621 -5.324 1.00 0.00 C ATOM 195 C ALA A 14 5.640 2.776 -4.536 1.00 0.00 C ATOM 196 O ALA A 14 4.688 3.417 -4.983 1.00 0.00 O ATOM 197 CB ALA A 14 5.852 0.291 -4.674 1.00 0.00 C ATOM 0 H ALA A 14 8.200 0.963 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 14 5.858 1.654 -6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.766 0.209 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.259 -0.534 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.252 0.249 -3.661 1.00 0.00 H new ATOM 203 N PHE A 15 6.199 3.041 -3.360 1.00 0.00 N ATOM 204 CA PHE A 15 5.700 4.117 -2.512 1.00 0.00 C ATOM 205 C PHE A 15 5.721 5.438 -3.274 1.00 0.00 C ATOM 206 O PHE A 15 4.798 6.246 -3.162 1.00 0.00 O ATOM 207 CB PHE A 15 6.559 4.236 -1.253 1.00 0.00 C ATOM 208 CG PHE A 15 5.873 5.136 -0.255 1.00 0.00 C ATOM 209 CD1 PHE A 15 4.930 4.600 0.631 1.00 0.00 C ATOM 210 CD2 PHE A 15 6.178 6.499 -0.212 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.291 5.428 1.557 1.00 0.00 C ATOM 212 CE2 PHE A 15 5.539 7.330 0.715 1.00 0.00 C ATOM 213 CZ PHE A 15 4.596 6.793 1.600 1.00 0.00 C ATOM 0 H PHE A 15 6.993 2.529 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 15 4.674 3.887 -2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.722 3.250 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.540 4.638 -1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.697 3.546 0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.907 6.911 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.562 5.015 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.773 8.384 0.748 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.103 7.433 2.317 1.00 0.00 H new ATOM 223 N LYS A 16 6.779 5.651 -4.052 1.00 0.00 N ATOM 224 CA LYS A 16 6.909 6.877 -4.833 1.00 0.00 C ATOM 225 C LYS A 16 5.765 6.989 -5.835 1.00 0.00 C ATOM 226 O LYS A 16 5.304 8.090 -6.144 1.00 0.00 O ATOM 227 CB LYS A 16 8.246 6.885 -5.574 1.00 0.00 C ATOM 228 CG LYS A 16 8.432 8.231 -6.276 1.00 0.00 C ATOM 229 CD LYS A 16 9.809 8.275 -6.939 1.00 0.00 C ATOM 230 CE LYS A 16 9.993 9.621 -7.642 1.00 0.00 C ATOM 231 NZ LYS A 16 9.924 10.720 -6.638 1.00 0.00 N ATOM 0 H LYS A 16 7.553 4.996 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 16 6.869 7.729 -4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.063 6.712 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.275 6.075 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.652 8.374 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.337 9.044 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.589 8.133 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.905 7.461 -7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.953 9.645 -8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.220 9.757 -8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.372 11.574 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.929 10.923 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.423 10.431 -5.772 1.00 0.00 H new ATOM 245 N VAL A 17 5.308 5.843 -6.332 1.00 0.00 N ATOM 246 CA VAL A 17 4.194 5.825 -7.282 1.00 0.00 C ATOM 247 C VAL A 17 2.879 6.164 -6.580 1.00 0.00 C ATOM 248 O VAL A 17 2.052 6.910 -7.108 1.00 0.00 O ATOM 249 CB VAL A 17 4.094 4.457 -7.948 1.00 0.00 C ATOM 250 CG1 VAL A 17 2.900 4.437 -8.902 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.382 4.183 -8.732 1.00 0.00 C ATOM 0 H VAL A 17 5.684 4.924 -6.098 1.00 0.00 H new ATOM 0 HA VAL A 17 4.382 6.580 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 17 3.958 3.689 -7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.830 3.458 -9.377 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.985 4.636 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.032 5.203 -9.666 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.316 3.206 -9.210 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.515 4.952 -9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.233 4.197 -8.051 1.00 0.00 H new ATOM 261 N PHE A 18 2.690 5.602 -5.390 1.00 0.00 N ATOM 262 CA PHE A 18 1.474 5.851 -4.622 1.00 0.00 C ATOM 263 C PHE A 18 1.412 7.305 -4.169 1.00 0.00 C ATOM 264 O PHE A 18 0.365 7.947 -4.252 1.00 0.00 O ATOM 265 CB PHE A 18 1.426 4.926 -3.400 1.00 0.00 C ATOM 266 CG PHE A 18 0.982 3.545 -3.824 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.361 3.316 -4.143 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.907 2.498 -3.898 1.00 0.00 C ATOM 269 CE1 PHE A 18 -0.779 2.041 -4.537 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.491 1.223 -4.292 1.00 0.00 C ATOM 271 CZ PHE A 18 0.148 0.994 -4.613 1.00 0.00 C ATOM 0 H PHE A 18 3.357 4.976 -4.939 1.00 0.00 H new ATOM 0 HA PHE A 18 0.616 5.648 -5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.409 4.875 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.739 5.327 -2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.075 4.124 -4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.943 2.675 -3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.816 1.864 -4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.205 0.415 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.173 0.010 -4.919 1.00 0.00 H new ATOM 281 N ASP A 19 2.538 7.817 -3.685 1.00 0.00 N ATOM 282 CA ASP A 19 2.598 9.196 -3.218 1.00 0.00 C ATOM 283 C ASP A 19 2.716 10.155 -4.397 1.00 0.00 C ATOM 284 O ASP A 19 3.735 10.824 -4.564 1.00 0.00 O ATOM 285 CB ASP A 19 3.799 9.380 -2.286 1.00 0.00 C ATOM 286 CG ASP A 19 3.811 10.796 -1.724 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.817 11.485 -1.885 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.813 11.172 -1.139 1.00 0.00 O ATOM 0 H ASP A 19 3.415 7.302 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 19 1.679 9.417 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.752 8.657 -1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.724 9.188 -2.829 1.00 0.00 H new ATOM 293 N LYS A 20 1.670 10.213 -5.212 1.00 0.00 N ATOM 294 CA LYS A 20 1.673 11.085 -6.379 1.00 0.00 C ATOM 295 C LYS A 20 1.895 12.532 -5.955 1.00 0.00 C ATOM 296 O LYS A 20 2.670 13.256 -6.578 1.00 0.00 O ATOM 297 CB LYS A 20 0.336 10.972 -7.116 1.00 0.00 C ATOM 298 CG LYS A 20 0.219 9.588 -7.757 1.00 0.00 C ATOM 299 CD LYS A 20 -1.113 9.478 -8.503 1.00 0.00 C ATOM 300 CE LYS A 20 -1.188 8.129 -9.221 1.00 0.00 C ATOM 301 NZ LYS A 20 -1.485 7.056 -8.232 1.00 0.00 N ATOM 0 H LYS A 20 0.815 9.671 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 20 2.482 10.778 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.488 11.133 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.264 11.745 -7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.048 9.424 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.283 8.815 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.943 9.576 -7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.206 10.291 -9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.962 8.156 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.245 7.921 -9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.713 6.359 -8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.573 7.473 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.377 6.586 -8.487 1.00 0.00 H new ATOM 315 N ASP A 21 1.213 12.948 -4.894 1.00 0.00 N ATOM 316 CA ASP A 21 1.344 14.314 -4.403 1.00 0.00 C ATOM 317 C ASP A 21 2.756 14.553 -3.881 1.00 0.00 C ATOM 318 O ASP A 21 3.150 15.695 -3.647 1.00 0.00 O ATOM 319 CB ASP A 21 0.338 14.562 -3.277 1.00 0.00 C ATOM 320 CG ASP A 21 -1.017 13.975 -3.654 1.00 0.00 C ATOM 321 OD1 ASP A 21 -1.521 14.324 -4.709 1.00 0.00 O ATOM 322 OD2 ASP A 21 -1.526 13.177 -2.883 1.00 0.00 O ATOM 0 H ASP A 21 0.569 12.364 -4.361 1.00 0.00 H new ATOM 0 HA ASP A 21 1.145 15.000 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.695 14.110 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.242 15.632 -3.092 1.00 0.00 H new ATOM 327 N GLN A 22 3.509 13.469 -3.694 1.00 0.00 N ATOM 328 CA GLN A 22 4.876 13.577 -3.199 1.00 0.00 C ATOM 329 C GLN A 22 4.909 14.293 -1.856 1.00 0.00 C ATOM 330 O GLN A 22 5.869 14.992 -1.539 1.00 0.00 O ATOM 331 CB GLN A 22 5.742 14.337 -4.206 1.00 0.00 C ATOM 332 CG GLN A 22 5.921 13.490 -5.467 1.00 0.00 C ATOM 333 CD GLN A 22 6.830 12.303 -5.173 1.00 0.00 C ATOM 334 OE1 GLN A 22 6.538 11.180 -5.582 1.00 0.00 O ATOM 335 NE2 GLN A 22 7.923 12.487 -4.484 1.00 0.00 N ATOM 0 H GLN A 22 3.197 12.515 -3.877 1.00 0.00 H new ATOM 0 HA GLN A 22 5.271 12.569 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.275 15.289 -4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.713 14.565 -3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.951 13.138 -5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.348 14.097 -6.265 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.162 13.419 -4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.538 11.698 -4.283 1.00 0.00 H new ATOM 344 N ASN A 23 3.854 14.114 -1.067 1.00 0.00 N ATOM 345 CA ASN A 23 3.770 14.746 0.249 1.00 0.00 C ATOM 346 C ASN A 23 4.228 13.782 1.336 1.00 0.00 C ATOM 347 O ASN A 23 4.131 14.082 2.526 1.00 0.00 O ATOM 348 CB ASN A 23 2.332 15.186 0.523 1.00 0.00 C ATOM 349 CG ASN A 23 1.384 14.002 0.369 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.786 12.941 -0.108 1.00 0.00 O ATOM 351 ND2 ASN A 23 0.140 14.122 0.746 1.00 0.00 N ATOM 0 H ASN A 23 3.048 13.540 -1.313 1.00 0.00 H new ATOM 0 HA ASN A 23 4.424 15.618 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.254 15.596 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.049 15.981 -0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.501 13.335 0.646 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.191 15.002 1.141 1.00 0.00 H new ATOM 358 N GLY A 24 4.728 12.623 0.920 1.00 0.00 N ATOM 359 CA GLY A 24 5.203 11.620 1.869 1.00 0.00 C ATOM 360 C GLY A 24 4.046 10.804 2.421 1.00 0.00 C ATOM 361 O GLY A 24 4.238 9.695 2.913 1.00 0.00 O ATOM 0 H GLY A 24 4.815 12.355 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.918 10.959 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.731 12.109 2.687 1.00 0.00 H new ATOM 365 N TYR A 25 2.839 11.357 2.338 1.00 0.00 N ATOM 366 CA TYR A 25 1.644 10.671 2.833 1.00 0.00 C ATOM 367 C TYR A 25 0.756 10.247 1.678 1.00 0.00 C ATOM 368 O TYR A 25 0.695 10.922 0.654 1.00 0.00 O ATOM 369 CB TYR A 25 0.862 11.598 3.764 1.00 0.00 C ATOM 370 CG TYR A 25 1.566 11.696 5.096 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.770 12.403 5.200 1.00 0.00 C ATOM 372 CD2 TYR A 25 1.019 11.072 6.225 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.427 12.489 6.433 1.00 0.00 C ATOM 374 CE2 TYR A 25 1.677 11.158 7.457 1.00 0.00 C ATOM 375 CZ TYR A 25 2.880 11.867 7.562 1.00 0.00 C ATOM 376 OH TYR A 25 3.528 11.952 8.777 1.00 0.00 O ATOM 0 H TYR A 25 2.660 12.276 1.934 1.00 0.00 H new ATOM 0 HA TYR A 25 1.957 9.782 3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.772 12.588 3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.150 11.219 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.192 12.882 4.329 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.091 10.525 6.145 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.355 13.035 6.514 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.257 10.677 8.328 1.00 0.00 H new ATOM 0 HH TYR A 25 3.015 11.467 9.456 1.00 0.00 H new ATOM 386 N ILE A 26 0.069 9.119 1.847 1.00 0.00 N ATOM 387 CA ILE A 26 -0.825 8.602 0.810 1.00 0.00 C ATOM 388 C ILE A 26 -2.275 8.722 1.260 1.00 0.00 C ATOM 389 O ILE A 26 -2.608 8.405 2.408 1.00 0.00 O ATOM 390 CB ILE A 26 -0.501 7.144 0.513 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.919 7.040 -0.046 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.495 6.599 -0.514 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.368 5.577 -0.030 1.00 0.00 C ATOM 0 H ILE A 26 0.113 8.546 2.690 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.681 9.190 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.573 6.562 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.950 7.430 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.601 7.647 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.263 5.555 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.507 6.672 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.424 7.181 -1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.380 5.503 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.353 5.203 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.692 4.982 -0.644 1.00 0.00 H new ATOM 405 N SER A 27 -3.129 9.194 0.352 1.00 0.00 N ATOM 406 CA SER A 27 -4.548 9.366 0.655 1.00 0.00 C ATOM 407 C SER A 27 -5.371 8.250 0.020 1.00 0.00 C ATOM 408 O SER A 27 -4.822 7.264 -0.473 1.00 0.00 O ATOM 409 CB SER A 27 -5.034 10.722 0.138 1.00 0.00 C ATOM 410 OG SER A 27 -5.466 10.582 -1.210 1.00 0.00 O ATOM 0 H SER A 27 -2.864 9.463 -0.595 1.00 0.00 H new ATOM 0 HA SER A 27 -4.676 9.325 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.852 11.089 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.232 11.457 0.201 1.00 0.00 H new ATOM 0 HG SER A 27 -5.780 11.448 -1.545 1.00 0.00 H new ATOM 416 N ALA A 28 -6.688 8.410 0.040 1.00 0.00 N ATOM 417 CA ALA A 28 -7.584 7.407 -0.533 1.00 0.00 C ATOM 418 C ALA A 28 -7.711 7.599 -2.041 1.00 0.00 C ATOM 419 O ALA A 28 -7.768 6.630 -2.795 1.00 0.00 O ATOM 420 CB ALA A 28 -8.968 7.521 0.115 1.00 0.00 C ATOM 0 H ALA A 28 -7.160 9.219 0.444 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.167 6.419 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.634 6.772 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.882 7.357 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.375 8.516 -0.068 1.00 0.00 H new ATOM 426 N SER A 29 -7.759 8.855 -2.471 1.00 0.00 N ATOM 427 CA SER A 29 -7.894 9.158 -3.892 1.00 0.00 C ATOM 428 C SER A 29 -6.762 8.522 -4.688 1.00 0.00 C ATOM 429 O SER A 29 -6.983 7.962 -5.762 1.00 0.00 O ATOM 430 CB SER A 29 -7.877 10.673 -4.105 1.00 0.00 C ATOM 431 OG SER A 29 -8.943 11.263 -3.372 1.00 0.00 O ATOM 0 H SER A 29 -7.707 9.673 -1.864 1.00 0.00 H new ATOM 0 HA SER A 29 -8.842 8.749 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.923 11.087 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.978 10.904 -5.165 1.00 0.00 H new ATOM 0 HG SER A 29 -8.934 12.234 -3.505 1.00 0.00 H new ATOM 437 N GLU A 30 -5.549 8.614 -4.158 1.00 0.00 N ATOM 438 CA GLU A 30 -4.390 8.044 -4.833 1.00 0.00 C ATOM 439 C GLU A 30 -4.478 6.522 -4.875 1.00 0.00 C ATOM 440 O GLU A 30 -4.198 5.901 -5.900 1.00 0.00 O ATOM 441 CB GLU A 30 -3.107 8.459 -4.105 1.00 0.00 C ATOM 442 CG GLU A 30 -2.880 9.961 -4.287 1.00 0.00 C ATOM 443 CD GLU A 30 -1.670 10.404 -3.477 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.545 9.956 -2.349 1.00 0.00 O ATOM 445 OE2 GLU A 30 -0.887 11.184 -3.994 1.00 0.00 O ATOM 0 H GLU A 30 -5.343 9.073 -3.271 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.372 8.421 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.184 8.218 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.257 7.902 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.726 10.189 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.764 10.513 -3.967 1.00 0.00 H new ATOM 452 N LEU A 31 -4.867 5.926 -3.754 1.00 0.00 N ATOM 453 CA LEU A 31 -4.973 4.477 -3.675 1.00 0.00 C ATOM 454 C LEU A 31 -6.018 3.964 -4.661 1.00 0.00 C ATOM 455 O LEU A 31 -5.779 2.999 -5.390 1.00 0.00 O ATOM 456 CB LEU A 31 -5.365 4.063 -2.255 1.00 0.00 C ATOM 457 CG LEU A 31 -5.313 2.531 -2.127 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.858 2.041 -2.257 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.883 2.112 -0.769 1.00 0.00 C ATOM 0 H LEU A 31 -5.112 6.419 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.006 4.044 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.689 4.521 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.368 4.423 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.909 2.084 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.830 0.955 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.461 2.333 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.252 2.487 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.846 1.026 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.292 2.563 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.917 2.448 -0.689 1.00 0.00 H new ATOM 471 N ARG A 32 -7.171 4.617 -4.684 1.00 0.00 N ATOM 472 CA ARG A 32 -8.237 4.218 -5.589 1.00 0.00 C ATOM 473 C ARG A 32 -7.780 4.342 -7.039 1.00 0.00 C ATOM 474 O ARG A 32 -8.013 3.446 -7.853 1.00 0.00 O ATOM 475 CB ARG A 32 -9.471 5.104 -5.362 1.00 0.00 C ATOM 476 CG ARG A 32 -10.436 4.978 -6.549 1.00 0.00 C ATOM 477 CD ARG A 32 -11.743 5.678 -6.230 1.00 0.00 C ATOM 478 NE ARG A 32 -11.508 7.090 -5.953 1.00 0.00 N ATOM 479 CZ ARG A 32 -12.494 7.887 -5.551 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.699 7.409 -5.402 1.00 0.00 N ATOM 481 NH2 ARG A 32 -12.256 9.147 -5.305 1.00 0.00 N ATOM 0 H ARG A 32 -7.390 5.418 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.493 3.178 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.975 4.810 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.165 6.143 -5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.988 5.415 -7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.621 3.926 -6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.432 5.575 -7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.215 5.205 -5.369 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.570 7.474 -6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.884 6.425 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.455 8.020 -5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.314 9.520 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.012 9.758 -4.997 1.00 0.00 H new ATOM 495 N HIS A 33 -7.148 5.464 -7.358 1.00 0.00 N ATOM 496 CA HIS A 33 -6.694 5.703 -8.720 1.00 0.00 C ATOM 497 C HIS A 33 -5.753 4.594 -9.172 1.00 0.00 C ATOM 498 O HIS A 33 -5.830 4.119 -10.306 1.00 0.00 O ATOM 499 CB HIS A 33 -5.968 7.050 -8.799 1.00 0.00 C ATOM 500 CG HIS A 33 -6.963 8.167 -8.642 1.00 0.00 C ATOM 501 ND1 HIS A 33 -8.187 7.984 -8.015 1.00 0.00 N ATOM 502 CD2 HIS A 33 -6.932 9.486 -9.023 1.00 0.00 C ATOM 503 CE1 HIS A 33 -8.834 9.163 -8.037 1.00 0.00 C ATOM 504 NE2 HIS A 33 -8.114 10.113 -8.641 1.00 0.00 N ATOM 0 H HIS A 33 -6.940 6.215 -6.700 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.564 5.718 -9.376 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.209 7.112 -8.019 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.451 7.141 -9.754 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.114 9.964 -9.541 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.816 9.323 -7.617 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.375 11.088 -8.790 1.00 0.00 H new ATOM 512 N VAL A 34 -4.870 4.180 -8.275 1.00 0.00 N ATOM 513 CA VAL A 34 -3.917 3.118 -8.585 1.00 0.00 C ATOM 514 C VAL A 34 -4.650 1.798 -8.821 1.00 0.00 C ATOM 515 O VAL A 34 -4.303 1.031 -9.727 1.00 0.00 O ATOM 516 CB VAL A 34 -2.913 2.957 -7.441 1.00 0.00 C ATOM 517 CG1 VAL A 34 -2.027 1.732 -7.701 1.00 0.00 C ATOM 518 CG2 VAL A 34 -2.036 4.210 -7.356 1.00 0.00 C ATOM 0 H VAL A 34 -4.791 4.559 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.380 3.391 -9.493 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.451 2.821 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.313 1.620 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.650 0.839 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.488 1.865 -8.639 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.320 4.098 -6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.500 4.343 -8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.664 5.081 -7.170 1.00 0.00 H new ATOM 528 N MET A 35 -5.653 1.529 -7.992 1.00 0.00 N ATOM 529 CA MET A 35 -6.411 0.291 -8.113 1.00 0.00 C ATOM 530 C MET A 35 -7.105 0.223 -9.467 1.00 0.00 C ATOM 531 O MET A 35 -7.123 -0.826 -10.113 1.00 0.00 O ATOM 532 CB MET A 35 -7.456 0.215 -6.991 1.00 0.00 C ATOM 533 CG MET A 35 -6.767 -0.149 -5.673 1.00 0.00 C ATOM 534 SD MET A 35 -6.206 -1.869 -5.740 1.00 0.00 S ATOM 535 CE MET A 35 -5.447 -1.924 -4.099 1.00 0.00 C ATOM 0 H MET A 35 -5.957 2.144 -7.237 1.00 0.00 H new ATOM 0 HA MET A 35 -5.724 -0.551 -8.029 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.969 1.171 -6.893 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.213 -0.530 -7.235 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.920 0.514 -5.498 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.457 -0.012 -4.840 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.301 -2.962 -3.800 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.483 -1.415 -4.127 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.099 -1.428 -3.380 1.00 0.00 H new ATOM 545 N ILE A 36 -7.675 1.342 -9.894 1.00 0.00 N ATOM 546 CA ILE A 36 -8.361 1.391 -11.179 1.00 0.00 C ATOM 547 C ILE A 36 -7.370 1.217 -12.321 1.00 0.00 C ATOM 548 O ILE A 36 -7.628 0.481 -13.275 1.00 0.00 O ATOM 549 CB ILE A 36 -9.098 2.726 -11.323 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.221 2.811 -10.273 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.707 2.830 -12.733 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.468 2.056 -10.758 1.00 0.00 C ATOM 0 H ILE A 36 -7.677 2.220 -9.375 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.083 0.575 -11.221 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.394 3.544 -11.170 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.877 2.389 -9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.471 3.855 -10.083 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.231 3.780 -12.834 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.913 2.773 -13.477 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.409 2.011 -12.888 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.252 2.126 -10.004 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.821 2.497 -11.690 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.217 1.008 -10.924 1.00 0.00 H new ATOM 564 N ASN A 37 -6.238 1.901 -12.217 1.00 0.00 N ATOM 565 CA ASN A 37 -5.207 1.819 -13.246 1.00 0.00 C ATOM 566 C ASN A 37 -4.749 0.374 -13.405 1.00 0.00 C ATOM 567 O ASN A 37 -4.347 -0.043 -14.492 1.00 0.00 O ATOM 568 CB ASN A 37 -4.017 2.702 -12.867 1.00 0.00 C ATOM 569 CG ASN A 37 -4.350 4.168 -13.130 1.00 0.00 C ATOM 570 OD1 ASN A 37 -5.094 4.478 -14.060 1.00 0.00 O ATOM 571 ND2 ASN A 37 -3.846 5.088 -12.358 1.00 0.00 N ATOM 0 H ASN A 37 -6.010 2.516 -11.436 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.621 2.169 -14.191 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.769 2.560 -11.815 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.139 2.411 -13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.068 6.070 -12.523 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.230 4.827 -11.588 1.00 0.00 H new ATOM 578 N LEU A 38 -4.816 -0.387 -12.316 1.00 0.00 N ATOM 579 CA LEU A 38 -4.415 -1.790 -12.351 1.00 0.00 C ATOM 580 C LEU A 38 -5.534 -2.656 -12.913 1.00 0.00 C ATOM 581 O LEU A 38 -5.413 -3.881 -12.967 1.00 0.00 O ATOM 582 CB LEU A 38 -4.058 -2.263 -10.941 1.00 0.00 C ATOM 583 CG LEU A 38 -2.770 -1.568 -10.477 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.621 -1.736 -8.962 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.552 -2.193 -11.180 1.00 0.00 C ATOM 0 H LEU A 38 -5.141 -0.060 -11.406 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.543 -1.883 -12.999 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.873 -2.038 -10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.923 -3.345 -10.932 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.824 -0.509 -10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.707 -1.244 -8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.478 -1.287 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.571 -2.797 -8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.643 -1.694 -10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.495 -3.254 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.654 -2.075 -12.259 1.00 0.00 H new ATOM 597 N GLY A 39 -6.616 -2.015 -13.332 1.00 0.00 N ATOM 598 CA GLY A 39 -7.750 -2.739 -13.892 1.00 0.00 C ATOM 599 C GLY A 39 -8.593 -3.363 -12.792 1.00 0.00 C ATOM 600 O GLY A 39 -9.294 -4.348 -13.021 1.00 0.00 O ATOM 0 H GLY A 39 -6.733 -1.002 -13.296 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.363 -2.060 -14.484 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.392 -3.517 -14.567 1.00 0.00 H new ATOM 604 N GLU A 40 -8.522 -2.787 -11.594 1.00 0.00 N ATOM 605 CA GLU A 40 -9.288 -3.293 -10.452 1.00 0.00 C ATOM 606 C GLU A 40 -10.243 -2.228 -9.939 1.00 0.00 C ATOM 607 O GLU A 40 -9.864 -1.072 -9.777 1.00 0.00 O ATOM 608 CB GLU A 40 -8.334 -3.711 -9.335 1.00 0.00 C ATOM 609 CG GLU A 40 -7.487 -4.898 -9.797 1.00 0.00 C ATOM 610 CD GLU A 40 -8.376 -6.119 -10.021 1.00 0.00 C ATOM 611 OE1 GLU A 40 -9.468 -6.139 -9.477 1.00 0.00 O ATOM 612 OE2 GLU A 40 -7.956 -7.012 -10.735 1.00 0.00 O ATOM 0 H GLU A 40 -7.945 -1.972 -11.387 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.868 -4.157 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.689 -2.876 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.899 -3.981 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.964 -4.645 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.726 -5.124 -9.051 1.00 0.00 H new ATOM 619 N LYS A 41 -11.485 -2.627 -9.684 1.00 0.00 N ATOM 620 CA LYS A 41 -12.498 -1.695 -9.187 1.00 0.00 C ATOM 621 C LYS A 41 -12.837 -2.006 -7.738 1.00 0.00 C ATOM 622 O LYS A 41 -13.583 -2.942 -7.453 1.00 0.00 O ATOM 623 CB LYS A 41 -13.764 -1.799 -10.038 1.00 0.00 C ATOM 624 CG LYS A 41 -13.474 -1.280 -11.447 1.00 0.00 C ATOM 625 CD LYS A 41 -14.739 -1.381 -12.299 1.00 0.00 C ATOM 626 CE LYS A 41 -14.450 -0.858 -13.707 1.00 0.00 C ATOM 627 NZ LYS A 41 -15.679 -0.977 -14.543 1.00 0.00 N ATOM 0 H LYS A 41 -11.816 -3.583 -9.812 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.099 -0.683 -9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.101 -2.835 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.569 -1.221 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.135 -0.245 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.670 -1.859 -11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.076 -2.416 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.544 -0.804 -11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.128 0.182 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.635 -1.425 -14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.483 -0.622 -15.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.967 -1.975 -14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.445 -0.418 -14.116 1.00 0.00 H new ATOM 641 N LEU A 42 -12.285 -1.216 -6.821 1.00 0.00 N ATOM 642 CA LEU A 42 -12.533 -1.409 -5.390 1.00 0.00 C ATOM 643 C LEU A 42 -13.452 -0.320 -4.860 1.00 0.00 C ATOM 644 O LEU A 42 -13.403 0.825 -5.311 1.00 0.00 O ATOM 645 CB LEU A 42 -11.204 -1.387 -4.620 1.00 0.00 C ATOM 646 CG LEU A 42 -10.537 -2.764 -4.701 1.00 0.00 C ATOM 647 CD1 LEU A 42 -10.209 -3.101 -6.161 1.00 0.00 C ATOM 648 CD2 LEU A 42 -9.252 -2.753 -3.872 1.00 0.00 C ATOM 0 H LEU A 42 -11.664 -0.437 -7.040 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.015 -2.376 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.543 -0.627 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.381 -1.118 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.218 -3.519 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.735 -4.081 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.128 -3.112 -6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.531 -2.349 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.775 -3.731 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.573 -1.995 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.491 -2.524 -2.833 1.00 0.00 H new ATOM 660 N THR A 43 -14.292 -0.685 -3.899 1.00 0.00 N ATOM 661 CA THR A 43 -15.223 0.268 -3.311 1.00 0.00 C ATOM 662 C THR A 43 -14.521 1.122 -2.259 1.00 0.00 C ATOM 663 O THR A 43 -13.504 0.721 -1.693 1.00 0.00 O ATOM 664 CB THR A 43 -16.403 -0.479 -2.671 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.652 -1.676 -3.396 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.652 0.406 -2.698 1.00 0.00 C ATOM 0 H THR A 43 -14.347 -1.627 -3.513 1.00 0.00 H new ATOM 0 HA THR A 43 -15.595 0.921 -4.100 1.00 0.00 H new ATOM 0 HB THR A 43 -16.159 -0.722 -1.637 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.403 -2.155 -2.988 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.486 -0.128 -2.243 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.461 1.323 -2.140 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.900 0.654 -3.730 1.00 0.00 H new ATOM 674 N ASP A 44 -15.074 2.299 -2.003 1.00 0.00 N ATOM 675 CA ASP A 44 -14.494 3.208 -1.021 1.00 0.00 C ATOM 676 C ASP A 44 -14.245 2.482 0.297 1.00 0.00 C ATOM 677 O ASP A 44 -13.229 2.704 0.954 1.00 0.00 O ATOM 678 CB ASP A 44 -15.433 4.393 -0.782 1.00 0.00 C ATOM 679 CG ASP A 44 -14.706 5.485 -0.004 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.656 5.196 0.544 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.211 6.595 0.032 1.00 0.00 O ATOM 0 H ASP A 44 -15.918 2.647 -2.458 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.543 3.573 -1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.785 4.787 -1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.313 4.065 -0.229 1.00 0.00 H new ATOM 686 N GLU A 45 -15.176 1.614 0.674 1.00 0.00 N ATOM 687 CA GLU A 45 -15.044 0.864 1.916 1.00 0.00 C ATOM 688 C GLU A 45 -13.703 0.146 1.970 1.00 0.00 C ATOM 689 O GLU A 45 -13.027 0.166 2.994 1.00 0.00 O ATOM 690 CB GLU A 45 -16.177 -0.161 2.029 1.00 0.00 C ATOM 691 CG GLU A 45 -17.503 0.563 2.277 1.00 0.00 C ATOM 692 CD GLU A 45 -17.961 1.263 1.004 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.520 0.865 -0.061 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.751 2.186 1.111 1.00 0.00 O ATOM 0 H GLU A 45 -16.023 1.413 0.143 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.101 1.565 2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.239 -0.751 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.973 -0.856 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.261 -0.150 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.385 1.291 3.080 1.00 0.00 H new ATOM 701 N GLU A 46 -13.323 -0.480 0.860 1.00 0.00 N ATOM 702 CA GLU A 46 -12.053 -1.201 0.797 1.00 0.00 C ATOM 703 C GLU A 46 -10.884 -0.256 1.086 1.00 0.00 C ATOM 704 O GLU A 46 -9.925 -0.610 1.781 1.00 0.00 O ATOM 705 CB GLU A 46 -11.881 -1.822 -0.589 1.00 0.00 C ATOM 706 CG GLU A 46 -12.941 -2.906 -0.805 1.00 0.00 C ATOM 707 CD GLU A 46 -12.714 -4.062 0.162 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.590 -4.529 0.242 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.664 -4.458 0.818 1.00 0.00 O ATOM 0 H GLU A 46 -13.869 -0.504 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.061 -1.988 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.972 -1.053 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.884 -2.251 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.936 -2.487 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.898 -3.268 -1.832 1.00 0.00 H new ATOM 716 N VAL A 47 -10.966 0.947 0.546 1.00 0.00 N ATOM 717 CA VAL A 47 -9.921 1.935 0.755 1.00 0.00 C ATOM 718 C VAL A 47 -9.902 2.401 2.207 1.00 0.00 C ATOM 719 O VAL A 47 -8.839 2.621 2.787 1.00 0.00 O ATOM 720 CB VAL A 47 -10.132 3.137 -0.167 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.092 4.219 0.146 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.983 2.692 -1.623 1.00 0.00 C ATOM 0 H VAL A 47 -11.741 1.263 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.964 1.469 0.522 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.131 3.543 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.246 5.073 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.199 4.537 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.091 3.817 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.133 3.547 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.984 2.285 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.726 1.926 -1.847 1.00 0.00 H new ATOM 732 N GLU A 48 -11.088 2.582 2.780 1.00 0.00 N ATOM 733 CA GLU A 48 -11.195 3.051 4.157 1.00 0.00 C ATOM 734 C GLU A 48 -10.647 2.023 5.137 1.00 0.00 C ATOM 735 O GLU A 48 -9.820 2.345 5.991 1.00 0.00 O ATOM 736 CB GLU A 48 -12.664 3.337 4.489 1.00 0.00 C ATOM 737 CG GLU A 48 -13.165 4.516 3.653 1.00 0.00 C ATOM 738 CD GLU A 48 -12.491 5.806 4.108 1.00 0.00 C ATOM 739 OE1 GLU A 48 -11.822 5.774 5.128 1.00 0.00 O ATOM 740 OE2 GLU A 48 -12.664 6.810 3.438 1.00 0.00 O ATOM 0 H GLU A 48 -11.981 2.413 2.317 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.605 3.962 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.270 2.454 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.769 3.561 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.955 4.339 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.247 4.608 3.751 1.00 0.00 H new ATOM 747 N GLN A 49 -11.113 0.787 5.011 1.00 0.00 N ATOM 748 CA GLN A 49 -10.666 -0.285 5.897 1.00 0.00 C ATOM 749 C GLN A 49 -9.169 -0.523 5.726 1.00 0.00 C ATOM 750 O GLN A 49 -8.486 -0.966 6.650 1.00 0.00 O ATOM 751 CB GLN A 49 -11.447 -1.568 5.609 1.00 0.00 C ATOM 752 CG GLN A 49 -11.291 -1.946 4.132 1.00 0.00 C ATOM 753 CD GLN A 49 -10.087 -2.860 3.943 1.00 0.00 C ATOM 754 OE1 GLN A 49 -9.263 -2.998 4.847 1.00 0.00 O ATOM 755 NE2 GLN A 49 -9.930 -3.495 2.816 1.00 0.00 N ATOM 0 H GLN A 49 -11.796 0.501 4.309 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.853 0.012 6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.083 -2.377 6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.501 -1.426 5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.194 -2.446 3.780 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.170 -1.045 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.613 -3.381 2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.124 -4.106 2.683 1.00 0.00 H new ATOM 764 N MET A 50 -8.658 -0.227 4.540 1.00 0.00 N ATOM 765 CA MET A 50 -7.229 -0.391 4.280 1.00 0.00 C ATOM 766 C MET A 50 -6.422 0.693 4.991 1.00 0.00 C ATOM 767 O MET A 50 -5.395 0.408 5.605 1.00 0.00 O ATOM 768 CB MET A 50 -6.976 -0.296 2.766 1.00 0.00 C ATOM 769 CG MET A 50 -7.210 -1.661 2.109 1.00 0.00 C ATOM 770 SD MET A 50 -5.642 -2.545 2.051 1.00 0.00 S ATOM 771 CE MET A 50 -5.011 -1.804 0.530 1.00 0.00 C ATOM 0 H MET A 50 -9.200 0.123 3.750 1.00 0.00 H new ATOM 0 HA MET A 50 -6.915 -1.365 4.656 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.639 0.448 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.955 0.036 2.580 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.946 -2.232 2.675 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.610 -1.533 1.103 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.270 -2.466 0.083 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.833 -1.655 -0.170 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.549 -0.843 0.758 1.00 0.00 H new ATOM 781 N ILE A 51 -6.892 1.935 4.900 1.00 0.00 N ATOM 782 CA ILE A 51 -6.195 3.046 5.535 1.00 0.00 C ATOM 783 C ILE A 51 -6.241 2.928 7.052 1.00 0.00 C ATOM 784 O ILE A 51 -5.231 3.097 7.727 1.00 0.00 O ATOM 785 CB ILE A 51 -6.822 4.375 5.100 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.534 4.614 3.616 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.231 5.521 5.928 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.385 5.779 3.115 1.00 0.00 C ATOM 0 H ILE A 51 -7.742 2.194 4.399 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.152 3.015 5.220 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.900 4.335 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.476 4.833 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.755 3.714 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.679 6.464 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.440 5.352 6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.153 5.563 5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.181 5.950 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.441 5.542 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.142 6.678 3.682 1.00 0.00 H new ATOM 800 N LYS A 52 -7.423 2.637 7.584 1.00 0.00 N ATOM 801 CA LYS A 52 -7.582 2.504 9.022 1.00 0.00 C ATOM 802 C LYS A 52 -6.725 1.347 9.534 1.00 0.00 C ATOM 803 O LYS A 52 -6.042 1.470 10.553 1.00 0.00 O ATOM 804 CB LYS A 52 -9.065 2.279 9.360 1.00 0.00 C ATOM 805 CG LYS A 52 -9.408 0.787 9.279 1.00 0.00 C ATOM 806 CD LYS A 52 -10.904 0.584 9.452 1.00 0.00 C ATOM 807 CE LYS A 52 -11.294 0.859 10.903 1.00 0.00 C ATOM 808 NZ LYS A 52 -10.301 0.229 11.821 1.00 0.00 N ATOM 0 H LYS A 52 -8.276 2.490 7.045 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.250 3.419 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.278 2.654 10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.692 2.842 8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.087 0.384 8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.867 0.239 10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.451 1.250 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.177 -0.435 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.336 1.934 11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.290 0.463 11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.734 0.086 12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.004 -0.689 11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.472 0.850 11.915 1.00 0.00 H new ATOM 822 N GLU A 53 -6.786 0.216 8.827 1.00 0.00 N ATOM 823 CA GLU A 53 -6.032 -0.953 9.225 1.00 0.00 C ATOM 824 C GLU A 53 -4.549 -0.623 9.203 1.00 0.00 C ATOM 825 O GLU A 53 -3.816 -0.971 10.125 1.00 0.00 O ATOM 826 CB GLU A 53 -6.331 -2.110 8.262 1.00 0.00 C ATOM 827 CG GLU A 53 -5.423 -3.293 8.581 1.00 0.00 C ATOM 828 CD GLU A 53 -5.679 -3.778 10.009 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.768 -3.542 10.506 1.00 0.00 O ATOM 830 OE2 GLU A 53 -4.782 -4.374 10.584 1.00 0.00 O ATOM 0 H GLU A 53 -7.348 0.095 7.984 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.318 -1.251 10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.376 -2.408 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.176 -1.788 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.605 -4.103 7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.379 -3.001 8.469 1.00 0.00 H new ATOM 837 N ALA A 54 -4.117 0.042 8.138 1.00 0.00 N ATOM 838 CA ALA A 54 -2.714 0.413 8.007 1.00 0.00 C ATOM 839 C ALA A 54 -2.357 1.528 8.984 1.00 0.00 C ATOM 840 O ALA A 54 -1.327 1.475 9.655 1.00 0.00 O ATOM 841 CB ALA A 54 -2.422 0.870 6.574 1.00 0.00 C ATOM 0 H ALA A 54 -4.710 0.333 7.361 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.106 -0.462 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.371 1.145 6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.643 0.058 5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.044 1.732 6.333 1.00 0.00 H new ATOM 847 N ASP A 55 -3.219 2.534 9.056 1.00 0.00 N ATOM 848 CA ASP A 55 -2.994 3.662 9.946 1.00 0.00 C ATOM 849 C ASP A 55 -3.318 3.275 11.382 1.00 0.00 C ATOM 850 O ASP A 55 -4.361 2.692 11.658 1.00 0.00 O ATOM 851 CB ASP A 55 -3.868 4.847 9.530 1.00 0.00 C ATOM 852 CG ASP A 55 -3.531 6.064 10.379 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.358 6.385 10.484 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.451 6.662 10.910 1.00 0.00 O ATOM 0 H ASP A 55 -4.078 2.591 8.509 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.944 3.948 9.879 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.710 5.074 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.921 4.592 9.647 1.00 0.00 H new ATOM 859 N LEU A 56 -2.414 3.602 12.293 1.00 0.00 N ATOM 860 CA LEU A 56 -2.606 3.284 13.711 1.00 0.00 C ATOM 861 C LEU A 56 -2.939 4.544 14.500 1.00 0.00 C ATOM 862 O LEU A 56 -3.227 4.479 15.693 1.00 0.00 O ATOM 863 CB LEU A 56 -1.335 2.636 14.282 1.00 0.00 C ATOM 864 CG LEU A 56 -0.243 3.697 14.498 1.00 0.00 C ATOM 865 CD1 LEU A 56 1.015 3.035 15.041 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.066 4.391 13.165 1.00 0.00 C ATOM 0 H LEU A 56 -1.541 4.086 12.083 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.437 2.584 13.799 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.564 2.143 15.227 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.974 1.867 13.600 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.593 4.438 15.217 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.787 3.790 15.193 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.790 2.550 15.991 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.371 2.291 14.329 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.840 5.143 13.317 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.415 3.653 12.443 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.837 4.871 12.787 1.00 0.00 H new ATOM 878 N ASP A 57 -2.878 5.697 13.832 1.00 0.00 N ATOM 879 CA ASP A 57 -3.163 6.973 14.488 1.00 0.00 C ATOM 880 C ASP A 57 -4.517 7.503 14.038 1.00 0.00 C ATOM 881 O ASP A 57 -4.927 8.592 14.433 1.00 0.00 O ATOM 882 CB ASP A 57 -2.070 7.989 14.152 1.00 0.00 C ATOM 883 CG ASP A 57 -1.930 8.132 12.642 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.948 8.121 11.973 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.807 8.246 12.177 1.00 0.00 O ATOM 0 H ASP A 57 -2.636 5.773 12.844 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.185 6.816 15.566 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.313 8.955 14.595 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.121 7.670 14.584 1.00 0.00 H new ATOM 890 N GLY A 58 -5.205 6.726 13.207 1.00 0.00 N ATOM 891 CA GLY A 58 -6.516 7.129 12.711 1.00 0.00 C ATOM 892 C GLY A 58 -6.490 8.570 12.217 1.00 0.00 C ATOM 893 O GLY A 58 -7.397 9.349 12.506 1.00 0.00 O ATOM 0 H GLY A 58 -4.880 5.822 12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.822 6.468 11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.257 7.025 13.504 1.00 0.00 H new ATOM 897 N ASP A 59 -5.445 8.922 11.476 1.00 0.00 N ATOM 898 CA ASP A 59 -5.310 10.278 10.949 1.00 0.00 C ATOM 899 C ASP A 59 -5.928 10.373 9.558 1.00 0.00 C ATOM 900 O ASP A 59 -6.250 11.463 9.087 1.00 0.00 O ATOM 901 CB ASP A 59 -3.834 10.666 10.877 1.00 0.00 C ATOM 902 CG ASP A 59 -3.095 9.743 9.914 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.701 8.787 9.459 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.936 10.009 9.641 1.00 0.00 O ATOM 0 H ASP A 59 -4.682 8.292 11.227 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.833 10.962 11.618 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.738 11.700 10.547 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.385 10.604 11.868 1.00 0.00 H new ATOM 909 N GLY A 60 -6.094 9.226 8.907 1.00 0.00 N ATOM 910 CA GLY A 60 -6.676 9.189 7.567 1.00 0.00 C ATOM 911 C GLY A 60 -5.593 9.283 6.503 1.00 0.00 C ATOM 912 O GLY A 60 -5.886 9.260 5.309 1.00 0.00 O ATOM 0 H GLY A 60 -5.836 8.313 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.241 8.266 7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.380 10.013 7.449 1.00 0.00 H new ATOM 916 N GLN A 61 -4.340 9.392 6.941 1.00 0.00 N ATOM 917 CA GLN A 61 -3.214 9.495 6.010 1.00 0.00 C ATOM 918 C GLN A 61 -2.175 8.425 6.319 1.00 0.00 C ATOM 919 O GLN A 61 -1.674 8.337 7.438 1.00 0.00 O ATOM 920 CB GLN A 61 -2.579 10.880 6.123 1.00 0.00 C ATOM 921 CG GLN A 61 -3.666 11.943 6.175 1.00 0.00 C ATOM 922 CD GLN A 61 -3.041 13.331 6.263 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.000 13.504 6.894 1.00 0.00 O ATOM 924 NE2 GLN A 61 -3.623 14.339 5.669 1.00 0.00 N ATOM 0 H GLN A 61 -4.078 9.411 7.927 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.580 9.346 4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.961 10.935 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.922 11.060 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.294 11.875 5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.312 11.772 7.036 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.487 14.193 5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.214 15.271 5.728 1.00 0.00 H new ATOM 933 N VAL A 62 -1.857 7.609 5.317 1.00 0.00 N ATOM 934 CA VAL A 62 -0.878 6.542 5.504 1.00 0.00 C ATOM 935 C VAL A 62 0.539 7.093 5.392 1.00 0.00 C ATOM 936 O VAL A 62 0.917 7.664 4.366 1.00 0.00 O ATOM 937 CB VAL A 62 -1.088 5.456 4.450 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.340 4.187 4.856 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.580 5.152 4.316 1.00 0.00 C ATOM 0 H VAL A 62 -2.256 7.664 4.380 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.014 6.117 6.498 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.703 5.807 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.494 3.417 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.725 4.404 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.717 3.834 5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.727 4.377 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.968 4.806 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.110 6.056 4.015 1.00 0.00 H new ATOM 949 N ASN A 63 1.319 6.920 6.458 1.00 0.00 N ATOM 950 CA ASN A 63 2.694 7.405 6.474 1.00 0.00 C ATOM 951 C ASN A 63 3.635 6.362 5.880 1.00 0.00 C ATOM 952 O ASN A 63 3.318 5.174 5.842 1.00 0.00 O ATOM 953 CB ASN A 63 3.121 7.720 7.910 1.00 0.00 C ATOM 954 CG ASN A 63 4.466 8.441 7.907 1.00 0.00 C ATOM 955 OD1 ASN A 63 4.879 9.034 6.821 1.00 0.00 O flip ATOM 956 ND2 ASN A 63 5.161 8.465 8.924 1.00 0.00 N flip ATOM 0 H ASN A 63 1.024 6.451 7.314 1.00 0.00 H new ATOM 0 HA ASN A 63 2.747 8.312 5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.367 8.341 8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.194 6.798 8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.838 8.001 9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.059 8.949 8.917 1.00 0.00 H new ATOM 963 N TYR A 64 4.795 6.815 5.412 1.00 0.00 N ATOM 964 CA TYR A 64 5.769 5.910 4.816 1.00 0.00 C ATOM 965 C TYR A 64 6.091 4.763 5.768 1.00 0.00 C ATOM 966 O TYR A 64 6.091 3.597 5.371 1.00 0.00 O ATOM 967 CB TYR A 64 7.057 6.677 4.490 1.00 0.00 C ATOM 968 CG TYR A 64 8.113 5.711 4.006 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.186 5.372 2.650 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.018 5.152 4.917 1.00 0.00 C ATOM 971 CE1 TYR A 64 9.162 4.473 2.206 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.994 4.256 4.473 1.00 0.00 C ATOM 973 CZ TYR A 64 10.067 3.914 3.116 1.00 0.00 C ATOM 974 OH TYR A 64 11.028 3.030 2.678 1.00 0.00 O ATOM 0 H TYR A 64 5.080 7.794 5.434 1.00 0.00 H new ATOM 0 HA TYR A 64 5.343 5.499 3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.861 7.430 3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.411 7.206 5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.489 5.804 1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.962 5.414 5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.217 4.210 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.692 3.827 5.176 1.00 0.00 H new ATOM 0 HH TYR A 64 11.574 2.738 3.437 1.00 0.00 H new ATOM 984 N GLU A 65 6.362 5.098 7.023 1.00 0.00 N ATOM 985 CA GLU A 65 6.689 4.082 8.018 1.00 0.00 C ATOM 986 C GLU A 65 5.533 3.101 8.186 1.00 0.00 C ATOM 987 O GLU A 65 5.743 1.886 8.285 1.00 0.00 O ATOM 988 CB GLU A 65 6.995 4.754 9.359 1.00 0.00 C ATOM 989 CG GLU A 65 5.768 5.538 9.829 1.00 0.00 C ATOM 990 CD GLU A 65 6.146 6.453 10.988 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.021 6.079 11.751 1.00 0.00 O ATOM 992 OE2 GLU A 65 5.553 7.514 11.096 1.00 0.00 O ATOM 0 H GLU A 65 6.362 6.055 7.375 1.00 0.00 H new ATOM 0 HA GLU A 65 7.565 3.531 7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.266 4.003 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.850 5.423 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.366 6.128 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.983 4.849 10.140 1.00 0.00 H new ATOM 999 N GLU A 66 4.313 3.631 8.207 1.00 0.00 N ATOM 1000 CA GLU A 66 3.132 2.794 8.357 1.00 0.00 C ATOM 1001 C GLU A 66 3.021 1.805 7.197 1.00 0.00 C ATOM 1002 O GLU A 66 2.583 0.663 7.370 1.00 0.00 O ATOM 1003 CB GLU A 66 1.874 3.663 8.418 1.00 0.00 C ATOM 1004 CG GLU A 66 1.797 4.362 9.777 1.00 0.00 C ATOM 1005 CD GLU A 66 0.576 5.269 9.833 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.064 5.440 8.809 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.293 5.780 10.902 1.00 0.00 O ATOM 0 H GLU A 66 4.120 4.629 8.123 1.00 0.00 H new ATOM 0 HA GLU A 66 3.226 2.233 9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.892 4.403 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.987 3.048 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.745 3.620 10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.701 4.947 9.945 1.00 0.00 H new ATOM 1014 N PHE A 67 3.423 2.250 6.016 1.00 0.00 N ATOM 1015 CA PHE A 67 3.377 1.402 4.835 1.00 0.00 C ATOM 1016 C PHE A 67 4.407 0.281 4.921 1.00 0.00 C ATOM 1017 O PHE A 67 4.119 -0.869 4.591 1.00 0.00 O ATOM 1018 CB PHE A 67 3.631 2.235 3.579 1.00 0.00 C ATOM 1019 CG PHE A 67 3.647 1.332 2.367 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.447 0.828 1.852 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.864 0.998 1.758 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.463 -0.010 0.730 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.880 0.160 0.637 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.679 -0.342 0.122 1.00 0.00 C ATOM 0 H PHE A 67 3.783 3.190 5.850 1.00 0.00 H new ATOM 0 HA PHE A 67 2.384 0.955 4.782 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.855 2.993 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.581 2.761 3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.508 1.085 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.790 1.387 2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.537 -0.400 0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.818 -0.099 0.170 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.691 -0.986 -0.745 1.00 0.00 H new ATOM 1034 N VAL A 68 5.619 0.630 5.352 1.00 0.00 N ATOM 1035 CA VAL A 68 6.686 -0.357 5.449 1.00 0.00 C ATOM 1036 C VAL A 68 6.306 -1.478 6.410 1.00 0.00 C ATOM 1037 O VAL A 68 6.352 -2.653 6.053 1.00 0.00 O ATOM 1038 CB VAL A 68 7.967 0.323 5.952 1.00 0.00 C ATOM 1039 CG1 VAL A 68 9.044 -0.734 6.214 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.470 1.313 4.901 1.00 0.00 C ATOM 0 H VAL A 68 5.881 1.574 5.635 1.00 0.00 H new ATOM 0 HA VAL A 68 6.849 -0.785 4.460 1.00 0.00 H new ATOM 0 HB VAL A 68 7.750 0.856 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.952 -0.248 6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.688 -1.437 6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.259 -1.271 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.379 1.794 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.683 0.782 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.707 2.069 4.719 1.00 0.00 H new ATOM 1050 N LYS A 69 5.921 -1.109 7.627 1.00 0.00 N ATOM 1051 CA LYS A 69 5.542 -2.105 8.625 1.00 0.00 C ATOM 1052 C LYS A 69 4.375 -2.943 8.128 1.00 0.00 C ATOM 1053 O LYS A 69 4.316 -4.152 8.370 1.00 0.00 O ATOM 1054 CB LYS A 69 5.172 -1.411 9.934 1.00 0.00 C ATOM 1055 CG LYS A 69 3.960 -0.507 9.711 1.00 0.00 C ATOM 1056 CD LYS A 69 3.582 0.183 11.023 1.00 0.00 C ATOM 1057 CE LYS A 69 4.678 1.175 11.428 1.00 0.00 C ATOM 1058 NZ LYS A 69 4.099 2.213 12.317 1.00 0.00 N ATOM 0 H LYS A 69 5.863 -0.141 7.944 1.00 0.00 H new ATOM 0 HA LYS A 69 6.390 -2.767 8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.948 -2.153 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.015 -0.823 10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.186 0.239 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.119 -1.095 9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.632 0.705 10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.445 -0.561 11.808 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.486 0.652 11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.109 1.639 10.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.841 2.887 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.342 2.718 11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.707 1.762 13.168 1.00 0.00 H new ATOM 1072 N MET A 70 3.440 -2.296 7.437 1.00 0.00 N ATOM 1073 CA MET A 70 2.282 -2.999 6.918 1.00 0.00 C ATOM 1074 C MET A 70 2.698 -4.045 5.896 1.00 0.00 C ATOM 1075 O MET A 70 2.182 -5.156 5.896 1.00 0.00 O ATOM 1076 CB MET A 70 1.311 -1.997 6.270 1.00 0.00 C ATOM 1077 CG MET A 70 0.414 -1.359 7.336 1.00 0.00 C ATOM 1078 SD MET A 70 -0.647 -2.637 8.071 1.00 0.00 S ATOM 1079 CE MET A 70 -1.586 -3.048 6.579 1.00 0.00 C ATOM 0 H MET A 70 3.465 -1.298 7.228 1.00 0.00 H new ATOM 0 HA MET A 70 1.786 -3.504 7.747 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.872 -1.223 5.747 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.698 -2.504 5.525 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.024 -0.889 8.107 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.198 -0.574 6.891 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.598 -3.343 6.856 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.628 -2.177 5.924 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.098 -3.871 6.057 1.00 0.00 H new ATOM 1089 N MET A 71 3.633 -3.684 5.037 1.00 0.00 N ATOM 1090 CA MET A 71 4.111 -4.599 4.017 1.00 0.00 C ATOM 1091 C MET A 71 4.897 -5.743 4.642 1.00 0.00 C ATOM 1092 O MET A 71 4.926 -6.854 4.111 1.00 0.00 O ATOM 1093 CB MET A 71 4.990 -3.855 3.013 1.00 0.00 C ATOM 1094 CG MET A 71 5.453 -4.823 1.915 1.00 0.00 C ATOM 1095 SD MET A 71 5.759 -3.902 0.390 1.00 0.00 S ATOM 1096 CE MET A 71 4.075 -4.001 -0.270 1.00 0.00 C ATOM 0 H MET A 71 4.076 -2.765 5.025 1.00 0.00 H new ATOM 0 HA MET A 71 3.246 -5.014 3.499 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.434 -3.028 2.571 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.854 -3.425 3.520 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.360 -5.339 2.229 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.694 -5.587 1.745 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.098 -3.854 -1.350 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.654 -4.981 -0.046 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.458 -3.228 0.189 1.00 0.00 H new ATOM 1106 N MET A 72 5.539 -5.463 5.772 1.00 0.00 N ATOM 1107 CA MET A 72 6.321 -6.482 6.464 1.00 0.00 C ATOM 1108 C MET A 72 5.418 -7.538 7.092 1.00 0.00 C ATOM 1109 O MET A 72 5.666 -8.738 6.965 1.00 0.00 O ATOM 1110 CB MET A 72 7.175 -5.826 7.552 1.00 0.00 C ATOM 1111 CG MET A 72 8.284 -4.999 6.904 1.00 0.00 C ATOM 1112 SD MET A 72 9.501 -6.105 6.153 1.00 0.00 S ATOM 1113 CE MET A 72 10.323 -4.867 5.118 1.00 0.00 C ATOM 0 H MET A 72 5.534 -4.549 6.224 1.00 0.00 H new ATOM 0 HA MET A 72 6.964 -6.972 5.733 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.554 -5.189 8.182 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.607 -6.589 8.199 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.863 -4.337 6.148 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.764 -4.366 7.651 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.127 -5.340 4.554 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.601 -4.433 4.427 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.737 -4.081 5.750 1.00 0.00 H new ATOM 1123 N THR A 73 4.366 -7.083 7.769 1.00 0.00 N ATOM 1124 CA THR A 73 3.428 -7.998 8.410 1.00 0.00 C ATOM 1125 C THR A 73 2.562 -8.701 7.373 1.00 0.00 C ATOM 1126 O THR A 73 2.100 -9.820 7.590 1.00 0.00 O ATOM 1127 CB THR A 73 2.540 -7.235 9.394 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.359 -6.511 10.304 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.659 -8.221 10.163 1.00 0.00 C ATOM 0 H THR A 73 4.144 -6.094 7.887 1.00 0.00 H new ATOM 0 HA THR A 73 4.002 -8.751 8.950 1.00 0.00 H new ATOM 0 HB THR A 73 1.904 -6.539 8.847 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.742 -5.731 9.850 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.027 -7.675 10.863 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.032 -8.772 9.462 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.289 -8.920 10.712 1.00 0.00 H new ATOM 1137 N VAL A 74 2.345 -8.037 6.247 1.00 0.00 N ATOM 1138 CA VAL A 74 1.528 -8.604 5.183 1.00 0.00 C ATOM 1139 C VAL A 74 2.152 -9.886 4.655 1.00 0.00 C ATOM 1140 O VAL A 74 1.494 -10.657 3.958 1.00 0.00 O ATOM 1141 CB VAL A 74 1.363 -7.585 4.047 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.852 -8.294 2.782 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.351 -6.495 4.469 1.00 0.00 C ATOM 0 H VAL A 74 2.721 -7.110 6.047 1.00 0.00 H new ATOM 0 HA VAL A 74 0.545 -8.843 5.589 1.00 0.00 H new ATOM 0 HB VAL A 74 2.328 -7.124 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.737 -7.566 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.568 -9.058 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.111 -8.760 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.236 -5.773 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.613 -6.957 4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.716 -5.986 5.361 1.00 0.00 H new ATOM 1205 N GLY A 80 -5.102 -6.640 6.029 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.525 -6.605 5.714 1.00 0.00 C ATOM 1207 C GLY A 80 -6.814 -7.369 4.429 1.00 0.00 C ATOM 1208 O GLY A 80 -6.006 -8.186 3.987 1.00 0.00 O ATOM 0 HA2 GLY A 80 -7.095 -7.039 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.853 -5.571 5.609 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.972 -7.102 3.833 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.358 -7.770 2.593 1.00 0.00 C ATOM 1214 C ASN A 81 -7.847 -6.998 1.377 1.00 0.00 C ATOM 1215 O ASN A 81 -7.554 -7.583 0.323 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.883 -7.883 2.521 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.408 -8.640 3.737 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -11.106 -8.065 4.572 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -10.117 -9.904 3.883 1.00 0.00 N ATOM 0 H ASN A 81 -8.656 -6.432 4.185 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.913 -8.765 2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.328 -6.889 2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.175 -8.400 1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.468 -10.418 4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.538 -10.378 3.189 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.726 -5.679 1.529 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.248 -4.845 0.438 1.00 0.00 C ATOM 1228 C GLY A 82 -5.739 -4.986 0.246 1.00 0.00 C ATOM 1229 O GLY A 82 -5.247 -5.042 -0.884 1.00 0.00 O ATOM 0 H GLY A 82 -7.950 -5.175 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.761 -5.121 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.494 -3.803 0.640 1.00 0.00 H new ATOM 1233 N TRP A 83 -5.007 -5.035 1.359 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.561 -5.155 1.302 1.00 0.00 C ATOM 1235 C TRP A 83 -3.169 -6.502 0.709 1.00 0.00 C ATOM 1236 O TRP A 83 -2.295 -6.580 -0.156 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.968 -5.005 2.705 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.150 -3.603 3.185 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.889 -3.244 4.262 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.609 -2.370 2.630 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.839 -1.868 4.400 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.062 -1.283 3.419 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.780 -2.088 1.528 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.704 0.035 3.125 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.420 -0.766 1.230 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.880 0.292 2.026 1.00 0.00 C ATOM 0 H TRP A 83 -5.394 -4.993 2.302 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.166 -4.364 0.665 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.453 -5.700 3.391 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.908 -5.259 2.691 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.429 -3.921 4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.317 -1.349 5.136 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.419 -2.895 0.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.061 0.847 3.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.784 -0.562 0.381 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.597 1.307 1.790 1.00 0.00 H new ATOM 1257 N SER A 84 -3.822 -7.558 1.178 1.00 0.00 N ATOM 1258 CA SER A 84 -3.544 -8.900 0.686 1.00 0.00 C ATOM 1259 C SER A 84 -3.860 -8.991 -0.802 1.00 0.00 C ATOM 1260 O SER A 84 -3.143 -9.643 -1.561 1.00 0.00 O ATOM 1261 CB SER A 84 -4.381 -9.925 1.451 1.00 0.00 C ATOM 1262 OG SER A 84 -4.064 -11.230 0.985 1.00 0.00 O ATOM 0 H SER A 84 -4.545 -7.511 1.896 1.00 0.00 H new ATOM 0 HA SER A 84 -2.486 -9.114 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.182 -9.849 2.520 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.443 -9.723 1.309 1.00 0.00 H new ATOM 0 HG SER A 84 -4.598 -11.891 1.474 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.934 -8.321 -1.216 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.320 -8.333 -2.621 1.00 0.00 C ATOM 1270 C ARG A 85 -4.254 -7.674 -3.486 1.00 0.00 C ATOM 1271 O ARG A 85 -3.929 -8.166 -4.570 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.662 -7.603 -2.792 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.824 -8.594 -2.623 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.032 -9.374 -3.931 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.322 -10.043 -3.911 1.00 0.00 N ATOM 1276 CZ ARG A 85 -10.419 -9.433 -4.346 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -10.348 -8.206 -4.796 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -11.562 -10.053 -4.324 1.00 0.00 N ATOM 0 H ARG A 85 -5.542 -7.772 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.424 -9.369 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.746 -6.802 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.710 -7.138 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.611 -9.284 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.736 -8.059 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.979 -8.695 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.235 -10.107 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.386 -10.997 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.451 -7.720 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.189 -7.736 -5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.617 -11.009 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.403 -9.583 -4.658 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.725 -6.558 -3.009 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.699 -5.843 -3.749 1.00 0.00 C ATOM 1294 C LEU A 86 -1.399 -6.641 -3.764 1.00 0.00 C ATOM 1295 O LEU A 86 -0.678 -6.665 -4.763 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.458 -4.471 -3.118 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.454 -3.675 -3.968 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.073 -3.342 -5.337 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -1.084 -2.379 -3.239 1.00 0.00 C ATOM 0 H LEU A 86 -3.987 -6.131 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.041 -5.710 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.398 -3.925 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.076 -4.589 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.557 -4.275 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.356 -2.778 -5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.329 -4.266 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.974 -2.745 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.372 -1.814 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.982 -1.781 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.635 -2.619 -2.275 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.092 -7.273 -2.637 1.00 0.00 N ATOM 1312 CA ARG A 87 0.132 -8.051 -2.519 1.00 0.00 C ATOM 1313 C ARG A 87 -0.012 -9.393 -3.228 1.00 0.00 C ATOM 1314 O ARG A 87 0.978 -10.080 -3.484 1.00 0.00 O ATOM 1315 CB ARG A 87 0.479 -8.263 -1.027 1.00 0.00 C ATOM 1316 CG ARG A 87 1.825 -7.597 -0.704 1.00 0.00 C ATOM 1317 CD ARG A 87 2.963 -8.419 -1.336 1.00 0.00 C ATOM 1318 NE ARG A 87 4.071 -7.543 -1.689 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.190 -8.031 -2.207 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.309 -9.317 -2.404 1.00 0.00 N ATOM 1321 NH2 ARG A 87 6.170 -7.229 -2.527 1.00 0.00 N ATOM 0 H ARG A 87 -1.671 -7.261 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 87 0.943 -7.501 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.305 -7.841 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.528 -9.329 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.841 -6.577 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.963 -7.533 0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.302 -9.184 -0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.600 -8.936 -2.224 1.00 0.00 H new ATOM 0 HE ARG A 87 3.985 -6.538 -1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.542 -9.944 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.169 -9.695 -2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.076 -6.224 -2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.029 -7.607 -2.925 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.246 -9.761 -3.529 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.504 -11.023 -4.209 1.00 0.00 C ATOM 1337 C ARG A 88 -1.126 -10.932 -5.683 1.00 0.00 C ATOM 1338 O ARG A 88 -0.455 -11.814 -6.218 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.983 -11.390 -4.080 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.233 -12.747 -4.732 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.679 -13.172 -4.485 1.00 0.00 C ATOM 1342 NE ARG A 88 -4.953 -14.436 -5.159 1.00 0.00 N ATOM 1343 CZ ARG A 88 -4.675 -15.601 -4.582 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -4.143 -15.627 -3.391 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -4.931 -16.718 -5.207 1.00 0.00 N ATOM 0 H ARG A 88 -2.079 -9.211 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.894 -11.795 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.270 -11.422 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.600 -10.628 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.038 -12.689 -5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.549 -13.491 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.858 -13.276 -3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.360 -12.402 -4.849 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.366 -14.426 -6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.941 -14.754 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.929 -16.520 -2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.345 -16.698 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.717 -17.611 -4.763 1.00 0.00 H new