USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 858 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 98 GLN : amide:sc= -0.0677 K(o=0.79,f=-9.4!) USER MOD Set 1.2: A 101 LYS NZ :NH3+ -131:sc= 0.854 (180deg=0) USER MOD Set 2.1: A 54 GLN :FLIP amide:sc= -0.535 F(o=-3.1!,f=0.029) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.564 K(o=0.029,f=-1.3) USER MOD Set 3.1: A 43 CYS SG : rot 83:sc= -5.79! USER MOD Set 3.2: A 97 GLN : amide:sc= -0.65! X(o=-6.4!,f=-6.7) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 30 CYS SG : rot -99:sc= -0.492! USER MOD Set 5.1: A 11 GLN :FLIP amide:sc= 0.612 F(o=0.63,f=1.1) USER MOD Set 5.2: A 20 TYR OH : rot -116:sc= 0.517 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.339 F(o=-6.1!,f=-0.34) USER MOD Single : A 15 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.11) USER MOD Single : A 21 MET CE :methyl -174:sc= -11.8! (180deg=-12.1!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.0167 (180deg=-0.202) USER MOD Single : A 29 SER OG : rot -120:sc= -0.0183 USER MOD Single : A 33 SER OG : rot -3:sc= -0.891! USER MOD Single : A 35 GLN :FLIP amide:sc= -1.74 F(o=-6.2!,f=-1.7) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.936 F(o=-3.9!,f=-0.94) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= -1.92 (180deg=-3.98!) USER MOD Single : A 65 TYR OH : rot -70:sc= -0.796! USER MOD Single : A 67 ASN : amide:sc= -3.2! C(o=-3.2!,f=-8.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00957 USER MOD Single : A 73 GLN :FLIP amide:sc= -1.36! C(o=-3.7!,f=-1.4!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.0584 USER MOD Single : A 90 MET CE :methyl 159:sc= -0.125 (180deg=-0.671) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 103 THR OG1 : rot 86:sc= 0.663 USER MOD Single : A 106 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.04) USER MOD Single : A 107 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -163:sc= -1.24! (180deg=-1.76!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.542 8.736 2.276 1.00 0.00 N ATOM 60 CA ILE A 5 12.208 8.833 2.871 1.00 0.00 C ATOM 61 C ILE A 5 11.523 10.169 2.583 1.00 0.00 C ATOM 62 O ILE A 5 10.318 10.207 2.354 1.00 0.00 O ATOM 63 CB ILE A 5 12.256 8.584 4.393 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.473 7.103 4.674 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.970 9.043 5.054 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.812 6.800 6.117 1.00 0.00 C ATOM 0 HA ILE A 5 11.611 8.053 2.398 1.00 0.00 H new ATOM 0 HB ILE A 5 13.086 9.157 4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.572 6.554 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.277 6.735 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.026 8.858 6.127 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.830 10.109 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.128 8.492 4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.952 5.726 6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.730 7.320 6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.998 7.136 6.760 1.00 0.00 H new ATOM 78 N GLU A 6 12.278 11.257 2.604 1.00 0.00 N ATOM 79 CA GLU A 6 11.707 12.579 2.356 1.00 0.00 C ATOM 80 C GLU A 6 11.076 12.625 0.965 1.00 0.00 C ATOM 81 O GLU A 6 9.924 13.032 0.800 1.00 0.00 O ATOM 82 CB GLU A 6 12.792 13.644 2.487 1.00 0.00 C ATOM 83 CG GLU A 6 13.576 13.550 3.788 1.00 0.00 C ATOM 84 CD GLU A 6 12.725 13.707 5.035 1.00 0.00 C ATOM 85 OE1 GLU A 6 11.809 12.887 5.253 1.00 0.00 O ATOM 86 OE2 GLU A 6 12.993 14.633 5.825 1.00 0.00 O ATOM 0 H GLU A 6 13.281 11.255 2.789 1.00 0.00 H new ATOM 0 HA GLU A 6 10.930 12.778 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.482 13.554 1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.333 14.630 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.083 12.586 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.350 14.317 3.790 1.00 0.00 H new ATOM 93 N LYS A 7 11.798 12.063 0.001 1.00 0.00 N ATOM 94 CA LYS A 7 11.286 11.881 -1.354 1.00 0.00 C ATOM 95 C LYS A 7 10.095 10.929 -1.339 1.00 0.00 C ATOM 96 O LYS A 7 9.088 11.144 -2.016 1.00 0.00 O ATOM 97 CB LYS A 7 12.382 11.283 -2.241 1.00 0.00 C ATOM 98 CG LYS A 7 13.646 12.120 -2.329 1.00 0.00 C ATOM 99 CD LYS A 7 14.762 11.360 -3.035 1.00 0.00 C ATOM 100 CE LYS A 7 14.361 10.931 -4.437 1.00 0.00 C ATOM 101 NZ LYS A 7 15.432 10.146 -5.112 1.00 0.00 N ATOM 0 H LYS A 7 12.750 11.722 0.135 1.00 0.00 H new ATOM 0 HA LYS A 7 10.975 12.850 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.641 10.295 -1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.983 11.143 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.436 13.045 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.971 12.400 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.651 11.989 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.028 10.480 -2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.451 10.333 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.129 11.814 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.115 9.875 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.293 10.725 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.636 9.290 -4.558 1.00 0.00 H new ATOM 115 N ILE A 8 10.265 9.839 -0.603 1.00 0.00 N ATOM 116 CA ILE A 8 9.276 8.776 -0.515 1.00 0.00 C ATOM 117 C ILE A 8 7.946 9.257 0.053 1.00 0.00 C ATOM 118 O ILE A 8 6.888 8.893 -0.449 1.00 0.00 O ATOM 119 CB ILE A 8 9.817 7.614 0.337 1.00 0.00 C ATOM 120 CG1 ILE A 8 10.982 6.939 -0.388 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.718 6.623 0.656 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.637 5.825 0.399 1.00 0.00 C ATOM 0 H ILE A 8 11.102 9.667 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 8 9.089 8.433 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 8 10.183 8.010 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.623 6.537 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.733 7.692 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.124 5.811 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.925 7.125 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.312 6.219 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.453 5.399 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.029 6.223 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.901 5.050 0.614 1.00 0.00 H new ATOM 134 N GLN A 9 7.991 10.053 1.106 1.00 0.00 N ATOM 135 CA GLN A 9 6.771 10.545 1.726 1.00 0.00 C ATOM 136 C GLN A 9 5.980 11.421 0.769 1.00 0.00 C ATOM 137 O GLN A 9 4.767 11.259 0.638 1.00 0.00 O ATOM 138 CB GLN A 9 7.061 11.276 3.038 1.00 0.00 C ATOM 139 CG GLN A 9 7.448 10.350 4.178 1.00 0.00 C ATOM 140 CD GLN A 9 7.700 11.099 5.470 1.00 0.00 C ATOM 141 OE1 GLN A 9 8.871 10.911 6.049 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 6.838 11.830 5.953 1.00 0.00 N flip ATOM 0 H GLN A 9 8.853 10.372 1.549 1.00 0.00 H new ATOM 0 HA GLN A 9 6.156 9.678 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.866 11.993 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.179 11.847 3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.655 9.619 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.344 9.794 3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.945 11.950 5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.016 12.317 6.832 1.00 0.00 H new ATOM 151 N ARG A 10 6.686 12.229 -0.007 1.00 0.00 N ATOM 152 CA ARG A 10 6.056 12.985 -1.081 1.00 0.00 C ATOM 153 C ARG A 10 5.422 12.021 -2.091 1.00 0.00 C ATOM 154 O ARG A 10 4.360 12.289 -2.651 1.00 0.00 O ATOM 155 CB ARG A 10 7.086 13.868 -1.793 1.00 0.00 C ATOM 156 CG ARG A 10 7.773 14.915 -0.916 1.00 0.00 C ATOM 157 CD ARG A 10 6.815 15.973 -0.390 1.00 0.00 C ATOM 158 NE ARG A 10 5.914 15.470 0.637 1.00 0.00 N ATOM 159 CZ ARG A 10 6.299 15.108 1.866 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.561 15.267 2.248 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.411 14.620 2.724 1.00 0.00 N ATOM 0 H ARG A 10 7.691 12.378 0.085 1.00 0.00 H new ATOM 0 HA ARG A 10 5.284 13.623 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.851 13.225 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.592 14.379 -2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.253 14.417 -0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.562 15.401 -1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.390 16.805 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.227 16.366 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 10 4.924 15.388 0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.243 15.667 1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.849 14.989 3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.435 14.521 2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.705 14.344 3.661 1.00 0.00 H new ATOM 175 N GLN A 11 6.105 10.901 -2.315 1.00 0.00 N ATOM 176 CA GLN A 11 5.662 9.877 -3.262 1.00 0.00 C ATOM 177 C GLN A 11 4.395 9.168 -2.787 1.00 0.00 C ATOM 178 O GLN A 11 3.484 8.914 -3.572 1.00 0.00 O ATOM 179 CB GLN A 11 6.786 8.860 -3.487 1.00 0.00 C ATOM 180 CG GLN A 11 6.393 7.675 -4.355 1.00 0.00 C ATOM 181 CD GLN A 11 7.542 6.717 -4.598 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.409 5.492 -4.118 1.00 0.00 O flip ATOM 183 NE2 GLN A 11 8.551 7.079 -5.202 1.00 0.00 N flip ATOM 0 H GLN A 11 6.982 10.676 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 11 5.422 10.373 -4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.633 9.368 -3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.125 8.490 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.573 7.138 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.021 8.040 -5.313 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.618 8.033 -5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.321 6.426 -5.347 1.00 0.00 H new ATOM 192 N ILE A 12 4.370 8.792 -1.522 1.00 0.00 N ATOM 193 CA ILE A 12 3.241 8.054 -0.974 1.00 0.00 C ATOM 194 C ILE A 12 2.018 8.948 -0.866 1.00 0.00 C ATOM 195 O ILE A 12 0.900 8.538 -1.176 1.00 0.00 O ATOM 196 CB ILE A 12 3.567 7.467 0.415 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.814 6.584 0.344 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.382 6.676 0.946 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.140 5.886 1.642 1.00 0.00 C ATOM 0 H ILE A 12 5.116 8.984 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 12 3.032 7.232 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 12 3.768 8.290 1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.674 5.835 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.665 7.197 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.627 6.268 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.516 7.332 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.153 5.860 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.036 5.279 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.313 6.629 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.306 5.246 1.930 1.00 0.00 H new ATOM 211 N ALA A 13 2.249 10.149 -0.370 1.00 0.00 N ATOM 212 CA ALA A 13 1.185 11.116 -0.134 1.00 0.00 C ATOM 213 C ALA A 13 0.417 11.449 -1.407 1.00 0.00 C ATOM 214 O ALA A 13 -0.790 11.692 -1.360 1.00 0.00 O ATOM 215 CB ALA A 13 1.755 12.380 0.485 1.00 0.00 C ATOM 0 H ALA A 13 3.179 10.485 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 13 0.478 10.661 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.951 13.096 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.233 12.137 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.491 12.816 -0.191 1.00 0.00 H new ATOM 221 N GLU A 14 1.127 11.544 -2.527 1.00 0.00 N ATOM 222 CA GLU A 14 0.495 11.938 -3.781 1.00 0.00 C ATOM 223 C GLU A 14 -0.468 10.866 -4.294 1.00 0.00 C ATOM 224 O GLU A 14 -1.488 11.189 -4.907 1.00 0.00 O ATOM 225 CB GLU A 14 1.526 12.300 -4.852 1.00 0.00 C ATOM 226 CG GLU A 14 2.481 11.183 -5.205 1.00 0.00 C ATOM 227 CD GLU A 14 3.449 11.574 -6.302 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.333 12.699 -6.828 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.318 10.753 -6.663 1.00 0.00 O ATOM 0 H GLU A 14 2.127 11.356 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.088 12.834 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.000 12.610 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.102 13.159 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.042 10.894 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.912 10.309 -5.521 1.00 0.00 H new ATOM 236 N ASN A 15 -0.145 9.596 -4.059 1.00 0.00 N ATOM 237 CA ASN A 15 -1.004 8.509 -4.523 1.00 0.00 C ATOM 238 C ASN A 15 -2.217 8.348 -3.623 1.00 0.00 C ATOM 239 O ASN A 15 -2.098 8.278 -2.401 1.00 0.00 O ATOM 240 CB ASN A 15 -0.236 7.188 -4.608 1.00 0.00 C ATOM 241 CG ASN A 15 0.840 7.205 -5.670 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.567 7.446 -6.845 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.067 6.929 -5.275 1.00 0.00 N ATOM 0 H ASN A 15 0.692 9.297 -3.558 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.345 8.773 -5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.218 6.974 -3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.935 6.379 -4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.829 6.910 -5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.254 6.734 -4.291 1.00 0.00 H new ATOM 250 N PRO A 16 -3.413 8.323 -4.234 1.00 0.00 N ATOM 251 CA PRO A 16 -4.680 8.213 -3.505 1.00 0.00 C ATOM 252 C PRO A 16 -4.790 6.929 -2.720 1.00 0.00 C ATOM 253 O PRO A 16 -5.220 6.921 -1.570 1.00 0.00 O ATOM 254 CB PRO A 16 -5.728 8.203 -4.626 1.00 0.00 C ATOM 255 CG PRO A 16 -5.059 8.848 -5.785 1.00 0.00 C ATOM 256 CD PRO A 16 -3.621 8.444 -5.686 1.00 0.00 C ATOM 0 HA PRO A 16 -4.792 9.017 -2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.039 7.186 -4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.624 8.750 -4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.497 8.516 -6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.166 9.932 -5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.429 7.503 -6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.960 9.190 -6.128 1.00 0.00 H new ATOM 264 N ILE A 17 -4.378 5.850 -3.351 1.00 0.00 N ATOM 265 CA ILE A 17 -4.411 4.536 -2.745 1.00 0.00 C ATOM 266 C ILE A 17 -3.128 3.843 -3.149 1.00 0.00 C ATOM 267 O ILE A 17 -2.763 3.880 -4.323 1.00 0.00 O ATOM 268 CB ILE A 17 -5.614 3.703 -3.265 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.939 4.479 -3.165 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.730 2.392 -2.507 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.354 4.856 -1.754 1.00 0.00 C ATOM 0 H ILE A 17 -4.009 5.860 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.513 4.628 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.423 3.495 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.856 5.389 -3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.730 3.877 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.579 1.825 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.817 1.812 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.877 2.597 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.298 5.399 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.475 3.952 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.587 5.488 -1.306 1.00 0.00 H new ATOM 283 N LEU A 18 -2.346 3.407 -2.182 1.00 0.00 N ATOM 284 CA LEU A 18 -1.008 2.949 -2.493 1.00 0.00 C ATOM 285 C LEU A 18 -0.693 1.633 -1.797 1.00 0.00 C ATOM 286 O LEU A 18 -1.134 1.385 -0.683 1.00 0.00 O ATOM 287 CB LEU A 18 0.003 4.026 -2.110 1.00 0.00 C ATOM 288 CG LEU A 18 1.417 3.809 -2.637 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.409 3.740 -4.156 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.325 4.933 -2.161 1.00 0.00 C ATOM 0 H LEU A 18 -2.605 3.360 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.945 2.766 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.359 4.987 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.044 4.092 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 18 1.797 2.863 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.425 3.585 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.778 2.912 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.018 4.674 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.334 4.772 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.947 5.887 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.346 4.947 -1.071 1.00 0.00 H new ATOM 302 N LEU A 19 0.006 0.770 -2.502 1.00 0.00 N ATOM 303 CA LEU A 19 0.323 -0.562 -2.019 1.00 0.00 C ATOM 304 C LEU A 19 1.778 -0.896 -2.295 1.00 0.00 C ATOM 305 O LEU A 19 2.170 -1.058 -3.436 1.00 0.00 O ATOM 306 CB LEU A 19 -0.596 -1.565 -2.729 1.00 0.00 C ATOM 307 CG LEU A 19 -0.136 -3.024 -2.726 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.010 -3.562 -1.306 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.107 -3.879 -3.517 1.00 0.00 C ATOM 0 H LEU A 19 0.374 0.971 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 19 0.167 -0.610 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.581 -1.516 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.716 -1.246 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 19 0.845 -3.067 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.338 -4.601 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.747 -2.967 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.950 -3.503 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.770 -4.915 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.098 -3.816 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.153 -3.521 -4.546 1.00 0.00 H new ATOM 321 N TYR A 20 2.553 -1.110 -1.251 1.00 0.00 N ATOM 322 CA TYR A 20 3.924 -1.543 -1.433 1.00 0.00 C ATOM 323 C TYR A 20 4.041 -3.046 -1.286 1.00 0.00 C ATOM 324 O TYR A 20 3.795 -3.595 -0.212 1.00 0.00 O ATOM 325 CB TYR A 20 4.854 -0.862 -0.437 1.00 0.00 C ATOM 326 CG TYR A 20 5.199 0.569 -0.777 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.221 1.542 -0.909 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.523 0.938 -0.987 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.553 2.840 -1.236 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.863 2.234 -1.315 1.00 0.00 C ATOM 331 CZ TYR A 20 5.872 3.183 -1.437 1.00 0.00 C ATOM 332 OH TYR A 20 6.198 4.479 -1.762 1.00 0.00 O ATOM 0 H TYR A 20 2.263 -0.993 -0.280 1.00 0.00 H new ATOM 0 HA TYR A 20 4.221 -1.259 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.390 -0.886 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.777 -1.438 -0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.185 1.280 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.301 0.195 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.779 3.587 -1.334 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.897 2.502 -1.475 1.00 0.00 H new ATOM 0 HH TYR A 20 6.592 4.502 -2.659 1.00 0.00 H new ATOM 342 N MET A 21 4.462 -3.697 -2.357 1.00 0.00 N ATOM 343 CA MET A 21 4.670 -5.135 -2.345 1.00 0.00 C ATOM 344 C MET A 21 5.809 -5.578 -3.277 1.00 0.00 C ATOM 345 O MET A 21 6.664 -4.771 -3.638 1.00 0.00 O ATOM 346 CB MET A 21 3.350 -5.841 -2.633 1.00 0.00 C ATOM 347 CG MET A 21 2.401 -5.162 -3.624 1.00 0.00 C ATOM 348 SD MET A 21 2.862 -5.298 -5.361 1.00 0.00 S ATOM 349 CE MET A 21 4.272 -4.221 -5.510 1.00 0.00 C ATOM 0 H MET A 21 4.667 -3.250 -3.250 1.00 0.00 H new ATOM 0 HA MET A 21 5.002 -5.430 -1.350 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.575 -6.839 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.820 -5.967 -1.689 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.406 -5.588 -3.496 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.331 -4.105 -3.367 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.566 -4.149 -6.557 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.014 -3.230 -5.137 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.101 -4.624 -4.927 1.00 0.00 H new ATOM 359 N LYS A 22 5.839 -6.846 -3.680 1.00 0.00 N ATOM 360 CA LYS A 22 6.901 -7.295 -4.572 1.00 0.00 C ATOM 361 C LYS A 22 6.409 -7.345 -6.000 1.00 0.00 C ATOM 362 O LYS A 22 5.465 -8.047 -6.315 1.00 0.00 O ATOM 363 CB LYS A 22 7.481 -8.647 -4.139 1.00 0.00 C ATOM 364 CG LYS A 22 8.616 -9.124 -5.038 1.00 0.00 C ATOM 365 CD LYS A 22 9.482 -10.191 -4.375 1.00 0.00 C ATOM 366 CE LYS A 22 8.692 -11.418 -3.958 1.00 0.00 C ATOM 367 NZ LYS A 22 9.563 -12.439 -3.315 1.00 0.00 N ATOM 0 H LYS A 22 5.162 -7.561 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 22 7.711 -6.568 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.845 -8.569 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.687 -9.394 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.199 -9.523 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.240 -8.273 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.272 -10.490 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.969 -9.763 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.902 -11.125 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.206 -11.852 -4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.990 -13.263 -3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.301 -12.737 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.008 -12.032 -2.467 1.00 0.00 H new ATOM 381 N GLY A 23 7.030 -6.541 -6.833 1.00 0.00 N ATOM 382 CA GLY A 23 6.609 -6.419 -8.216 1.00 0.00 C ATOM 383 C GLY A 23 7.405 -7.306 -9.143 1.00 0.00 C ATOM 384 O GLY A 23 8.195 -6.817 -9.948 1.00 0.00 O ATOM 0 H GLY A 23 7.829 -5.960 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.552 -6.673 -8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.712 -5.381 -8.534 1.00 0.00 H new ATOM 388 N SER A 24 7.186 -8.607 -9.047 1.00 0.00 N ATOM 389 CA SER A 24 7.875 -9.549 -9.911 1.00 0.00 C ATOM 390 C SER A 24 7.223 -9.557 -11.291 1.00 0.00 C ATOM 391 O SER A 24 6.008 -9.449 -11.401 1.00 0.00 O ATOM 392 CB SER A 24 7.839 -10.946 -9.291 1.00 0.00 C ATOM 393 OG SER A 24 8.452 -10.948 -8.011 1.00 0.00 O ATOM 0 H SER A 24 6.540 -9.033 -8.383 1.00 0.00 H new ATOM 0 HA SER A 24 8.916 -9.245 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.806 -11.283 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.351 -11.652 -9.945 1.00 0.00 H new ATOM 0 HG SER A 24 8.416 -11.851 -7.632 1.00 0.00 H new ATOM 399 N PRO A 25 8.012 -9.645 -12.371 1.00 0.00 N ATOM 400 CA PRO A 25 7.470 -9.630 -13.735 1.00 0.00 C ATOM 401 C PRO A 25 6.382 -10.690 -13.932 1.00 0.00 C ATOM 402 O PRO A 25 5.345 -10.427 -14.546 1.00 0.00 O ATOM 403 CB PRO A 25 8.692 -9.936 -14.604 1.00 0.00 C ATOM 404 CG PRO A 25 9.853 -9.474 -13.796 1.00 0.00 C ATOM 405 CD PRO A 25 9.483 -9.724 -12.360 1.00 0.00 C ATOM 0 HA PRO A 25 6.990 -8.683 -13.979 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.763 -11.001 -14.827 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.640 -9.413 -15.559 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.758 -10.018 -14.066 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.053 -8.417 -13.969 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.831 -10.699 -12.019 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.921 -8.979 -11.696 1.00 0.00 H new ATOM 413 N LYS A 26 6.613 -11.878 -13.378 1.00 0.00 N ATOM 414 CA LYS A 26 5.645 -12.971 -13.452 1.00 0.00 C ATOM 415 C LYS A 26 4.397 -12.691 -12.611 1.00 0.00 C ATOM 416 O LYS A 26 3.312 -13.187 -12.916 1.00 0.00 O ATOM 417 CB LYS A 26 6.279 -14.302 -13.031 1.00 0.00 C ATOM 418 CG LYS A 26 6.881 -14.306 -11.635 1.00 0.00 C ATOM 419 CD LYS A 26 7.402 -15.687 -11.273 1.00 0.00 C ATOM 420 CE LYS A 26 8.090 -15.698 -9.919 1.00 0.00 C ATOM 421 NZ LYS A 26 9.326 -14.871 -9.924 1.00 0.00 N ATOM 0 H LYS A 26 7.467 -12.109 -12.870 1.00 0.00 H new ATOM 0 HA LYS A 26 5.335 -13.045 -14.494 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.521 -15.084 -13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.058 -14.561 -13.748 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.693 -13.581 -11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.129 -13.995 -10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.574 -16.396 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.102 -16.023 -12.038 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.404 -15.323 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.339 -16.723 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.890 -15.085 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.884 -15.085 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.069 -13.863 -9.923 1.00 0.00 H new ATOM 435 N LEU A 27 4.566 -11.943 -11.529 1.00 0.00 N ATOM 436 CA LEU A 27 3.470 -11.651 -10.614 1.00 0.00 C ATOM 437 C LEU A 27 3.819 -10.368 -9.872 1.00 0.00 C ATOM 438 O LEU A 27 4.743 -10.358 -9.055 1.00 0.00 O ATOM 439 CB LEU A 27 3.331 -12.807 -9.614 1.00 0.00 C ATOM 440 CG LEU A 27 1.976 -12.953 -8.900 1.00 0.00 C ATOM 441 CD1 LEU A 27 1.997 -14.169 -7.986 1.00 0.00 C ATOM 442 CD2 LEU A 27 1.612 -11.710 -8.105 1.00 0.00 C ATOM 0 H LEU A 27 5.457 -11.525 -11.262 1.00 0.00 H new ATOM 0 HA LEU A 27 2.530 -11.534 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.538 -13.738 -10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.104 -12.692 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 27 1.214 -13.085 -9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.034 -14.264 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.189 -15.065 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.783 -14.050 -7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.648 -11.859 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.375 -11.525 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.551 -10.854 -8.776 1.00 0.00 H new ATOM 454 N PRO A 28 3.166 -9.250 -10.217 1.00 0.00 N ATOM 455 CA PRO A 28 3.502 -7.934 -9.662 1.00 0.00 C ATOM 456 C PRO A 28 3.062 -7.739 -8.218 1.00 0.00 C ATOM 457 O PRO A 28 2.887 -6.607 -7.788 1.00 0.00 O ATOM 458 CB PRO A 28 2.745 -6.948 -10.566 1.00 0.00 C ATOM 459 CG PRO A 28 2.296 -7.744 -11.745 1.00 0.00 C ATOM 460 CD PRO A 28 2.134 -9.149 -11.254 1.00 0.00 C ATOM 0 HA PRO A 28 4.583 -7.798 -9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.895 -6.510 -10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.389 -6.124 -10.872 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.357 -7.358 -12.142 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.028 -7.694 -12.552 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.137 -9.324 -10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.288 -9.877 -12.051 1.00 0.00 H new ATOM 468 N SER A 29 2.990 -8.822 -7.458 1.00 0.00 N ATOM 469 CA SER A 29 2.701 -8.753 -6.037 1.00 0.00 C ATOM 470 C SER A 29 3.007 -10.070 -5.342 1.00 0.00 C ATOM 471 O SER A 29 2.160 -10.624 -4.634 1.00 0.00 O ATOM 472 CB SER A 29 1.269 -8.323 -5.790 1.00 0.00 C ATOM 473 OG SER A 29 0.357 -9.037 -6.611 1.00 0.00 O ATOM 0 H SER A 29 3.130 -9.769 -7.809 1.00 0.00 H new ATOM 0 HA SER A 29 3.356 -7.996 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.017 -8.483 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.172 -7.254 -5.982 1.00 0.00 H new ATOM 0 HG SER A 29 -0.135 -8.407 -7.178 1.00 0.00 H new ATOM 479 N CYS A 30 4.218 -10.569 -5.547 1.00 0.00 N ATOM 480 CA CYS A 30 4.642 -11.821 -4.932 1.00 0.00 C ATOM 481 C CYS A 30 4.849 -11.613 -3.415 1.00 0.00 C ATOM 482 O CYS A 30 4.236 -10.730 -2.818 1.00 0.00 O ATOM 483 CB CYS A 30 5.922 -12.303 -5.633 1.00 0.00 C ATOM 484 SG CYS A 30 6.538 -13.923 -5.115 1.00 0.00 S ATOM 0 H CYS A 30 4.925 -10.127 -6.134 1.00 0.00 H new ATOM 0 HA CYS A 30 3.878 -12.589 -5.049 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.737 -12.331 -6.707 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.707 -11.565 -5.464 1.00 0.00 H new ATOM 0 HG CYS A 30 7.502 -13.767 -4.257 1.00 0.00 H new ATOM 490 N GLY A 31 5.706 -12.405 -2.791 1.00 0.00 N ATOM 491 CA GLY A 31 5.938 -12.258 -1.364 1.00 0.00 C ATOM 492 C GLY A 31 4.675 -12.488 -0.550 1.00 0.00 C ATOM 493 O GLY A 31 3.879 -13.372 -0.869 1.00 0.00 O ATOM 0 H GLY A 31 6.245 -13.145 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.706 -12.964 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.322 -11.258 -1.161 1.00 0.00 H new ATOM 497 N PHE A 32 4.472 -11.671 0.475 1.00 0.00 N ATOM 498 CA PHE A 32 3.274 -11.765 1.303 1.00 0.00 C ATOM 499 C PHE A 32 2.058 -11.122 0.671 1.00 0.00 C ATOM 500 O PHE A 32 0.959 -11.288 1.164 1.00 0.00 O ATOM 501 CB PHE A 32 3.465 -11.160 2.681 1.00 0.00 C ATOM 502 CG PHE A 32 4.233 -12.023 3.622 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.604 -12.163 3.511 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.569 -12.675 4.643 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.304 -12.952 4.402 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.261 -13.464 5.540 1.00 0.00 C ATOM 507 CZ PHE A 32 5.632 -13.604 5.418 1.00 0.00 C ATOM 0 H PHE A 32 5.121 -10.935 0.754 1.00 0.00 H new ATOM 0 HA PHE A 32 3.101 -12.837 1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.980 -10.205 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.486 -10.950 3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.132 -11.651 2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.499 -12.567 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.374 -13.059 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.734 -13.971 6.335 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.176 -14.222 6.116 1.00 0.00 H new ATOM 517 N SER A 33 2.258 -10.231 -0.266 1.00 0.00 N ATOM 518 CA SER A 33 1.155 -9.429 -0.761 1.00 0.00 C ATOM 519 C SER A 33 0.155 -10.230 -1.586 1.00 0.00 C ATOM 520 O SER A 33 -0.895 -9.704 -1.953 1.00 0.00 O ATOM 521 CB SER A 33 1.665 -8.262 -1.563 1.00 0.00 C ATOM 522 OG SER A 33 2.566 -8.681 -2.571 1.00 0.00 O ATOM 0 H SER A 33 3.161 -10.039 -0.701 1.00 0.00 H new ATOM 0 HA SER A 33 0.624 -9.065 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.825 -7.737 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.162 -7.553 -0.901 1.00 0.00 H new ATOM 0 HG SER A 33 2.709 -9.648 -2.501 1.00 0.00 H new ATOM 528 N ALA A 34 0.524 -11.456 -1.947 1.00 0.00 N ATOM 529 CA ALA A 34 -0.296 -12.295 -2.819 1.00 0.00 C ATOM 530 C ALA A 34 -1.761 -12.313 -2.379 1.00 0.00 C ATOM 531 O ALA A 34 -2.662 -12.202 -3.203 1.00 0.00 O ATOM 532 CB ALA A 34 0.259 -13.713 -2.855 1.00 0.00 C ATOM 0 H ALA A 34 1.394 -11.895 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.258 -11.866 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.359 -14.329 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.281 -13.694 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.254 -14.131 -1.849 1.00 0.00 H new ATOM 538 N GLN A 35 -1.998 -12.444 -1.082 1.00 0.00 N ATOM 539 CA GLN A 35 -3.363 -12.460 -0.559 1.00 0.00 C ATOM 540 C GLN A 35 -3.933 -11.038 -0.494 1.00 0.00 C ATOM 541 O GLN A 35 -5.129 -10.825 -0.698 1.00 0.00 O ATOM 542 CB GLN A 35 -3.451 -13.109 0.842 1.00 0.00 C ATOM 543 CG GLN A 35 -2.710 -14.436 0.973 1.00 0.00 C ATOM 544 CD GLN A 35 -1.211 -14.255 1.145 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.793 -13.021 1.391 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.445 -15.217 1.113 1.00 0.00 N flip ATOM 0 H GLN A 35 -1.270 -12.540 -0.374 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.952 -13.065 -1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.052 -12.411 1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.501 -13.268 1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.106 -14.986 1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.900 -15.042 0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.807 -16.151 0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.552 -15.081 1.279 1.00 0.00 H new ATOM 555 N ALA A 36 -3.087 -10.092 -0.089 1.00 0.00 N ATOM 556 CA ALA A 36 -3.507 -8.715 0.159 1.00 0.00 C ATOM 557 C ALA A 36 -3.997 -8.029 -1.105 1.00 0.00 C ATOM 558 O ALA A 36 -5.027 -7.353 -1.100 1.00 0.00 O ATOM 559 CB ALA A 36 -2.360 -7.930 0.769 1.00 0.00 C ATOM 0 H ALA A 36 -2.094 -10.258 0.076 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.344 -8.745 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.678 -6.904 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.064 -8.391 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.513 -7.930 0.083 1.00 0.00 H new ATOM 565 N VAL A 37 -3.249 -8.206 -2.179 1.00 0.00 N ATOM 566 CA VAL A 37 -3.586 -7.608 -3.464 1.00 0.00 C ATOM 567 C VAL A 37 -4.996 -8.013 -3.891 1.00 0.00 C ATOM 568 O VAL A 37 -5.757 -7.200 -4.421 1.00 0.00 O ATOM 569 CB VAL A 37 -2.554 -8.014 -4.543 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.534 -9.519 -4.765 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.818 -7.289 -5.853 1.00 0.00 C ATOM 0 H VAL A 37 -2.395 -8.764 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.558 -6.524 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.572 -7.717 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.797 -9.764 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.271 -10.021 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.519 -9.852 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.078 -7.593 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.816 -7.540 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.750 -6.213 -5.693 1.00 0.00 H new ATOM 581 N GLN A 38 -5.344 -9.267 -3.625 1.00 0.00 N ATOM 582 CA GLN A 38 -6.661 -9.777 -3.957 1.00 0.00 C ATOM 583 C GLN A 38 -7.713 -9.091 -3.099 1.00 0.00 C ATOM 584 O GLN A 38 -8.744 -8.657 -3.603 1.00 0.00 O ATOM 585 CB GLN A 38 -6.728 -11.293 -3.739 1.00 0.00 C ATOM 586 CG GLN A 38 -5.518 -12.058 -4.258 1.00 0.00 C ATOM 587 CD GLN A 38 -5.211 -11.855 -5.739 1.00 0.00 C ATOM 588 OE1 GLN A 38 -6.079 -11.172 -6.469 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.201 -12.353 -6.232 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.728 -9.947 -3.179 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.855 -9.567 -5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.837 -11.490 -2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.623 -11.679 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.644 -11.762 -3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.675 -13.121 -4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.550 -12.874 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.014 -12.245 -7.229 1.00 0.00 H new ATOM 598 N ALA A 39 -7.442 -9.007 -1.799 1.00 0.00 N ATOM 599 CA ALA A 39 -8.361 -8.390 -0.849 1.00 0.00 C ATOM 600 C ALA A 39 -8.634 -6.930 -1.190 1.00 0.00 C ATOM 601 O ALA A 39 -9.758 -6.455 -1.045 1.00 0.00 O ATOM 602 CB ALA A 39 -7.819 -8.498 0.568 1.00 0.00 C ATOM 0 H ALA A 39 -6.584 -9.363 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.304 -8.932 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.519 -8.032 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.693 -9.548 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.856 -7.991 0.629 1.00 0.00 H new ATOM 608 N LEU A 40 -7.590 -6.202 -1.563 1.00 0.00 N ATOM 609 CA LEU A 40 -7.711 -4.772 -1.830 1.00 0.00 C ATOM 610 C LEU A 40 -8.664 -4.547 -2.987 1.00 0.00 C ATOM 611 O LEU A 40 -9.660 -3.836 -2.867 1.00 0.00 O ATOM 612 CB LEU A 40 -6.356 -4.204 -2.232 1.00 0.00 C ATOM 613 CG LEU A 40 -6.071 -2.755 -1.802 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.735 -2.290 -2.363 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.185 -1.808 -2.226 1.00 0.00 C ATOM 0 H LEU A 40 -6.649 -6.576 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.078 -4.282 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.579 -4.844 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.268 -4.263 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.025 -2.738 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.547 -1.263 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.939 -2.935 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.761 -2.339 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.944 -0.795 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.286 -1.828 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.123 -2.122 -1.768 1.00 0.00 H new ATOM 627 N ALA A 41 -8.331 -5.173 -4.108 1.00 0.00 N ATOM 628 CA ALA A 41 -9.117 -5.074 -5.322 1.00 0.00 C ATOM 629 C ALA A 41 -10.516 -5.618 -5.095 1.00 0.00 C ATOM 630 O ALA A 41 -11.485 -5.158 -5.699 1.00 0.00 O ATOM 631 CB ALA A 41 -8.434 -5.819 -6.457 1.00 0.00 C ATOM 0 H ALA A 41 -7.505 -5.765 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.197 -4.022 -5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.036 -5.735 -7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.449 -5.387 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.326 -6.870 -6.189 1.00 0.00 H new ATOM 637 N ALA A 42 -10.606 -6.610 -4.221 1.00 0.00 N ATOM 638 CA ALA A 42 -11.888 -7.232 -3.902 1.00 0.00 C ATOM 639 C ALA A 42 -12.763 -6.280 -3.101 1.00 0.00 C ATOM 640 O ALA A 42 -13.947 -6.116 -3.388 1.00 0.00 O ATOM 641 CB ALA A 42 -11.693 -8.536 -3.143 1.00 0.00 C ATOM 0 H ALA A 42 -9.809 -7.003 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.390 -7.459 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.665 -8.976 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.113 -9.229 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.161 -8.339 -2.212 1.00 0.00 H new ATOM 647 N CYS A 43 -12.171 -5.659 -2.093 1.00 0.00 N ATOM 648 CA CYS A 43 -12.893 -4.724 -1.251 1.00 0.00 C ATOM 649 C CYS A 43 -13.206 -3.406 -1.967 1.00 0.00 C ATOM 650 O CYS A 43 -14.358 -2.978 -2.012 1.00 0.00 O ATOM 651 CB CYS A 43 -12.079 -4.432 0.007 1.00 0.00 C ATOM 652 SG CYS A 43 -12.445 -5.464 1.433 1.00 0.00 S ATOM 0 H CYS A 43 -11.191 -5.787 -1.840 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.843 -5.192 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -11.022 -4.540 -0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.238 -3.390 0.286 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.799 -6.588 1.333 1.00 0.00 H new ATOM 658 N GLY A 44 -12.164 -2.712 -2.415 1.00 0.00 N ATOM 659 CA GLY A 44 -12.353 -1.391 -2.987 1.00 0.00 C ATOM 660 C GLY A 44 -12.262 -1.342 -4.498 1.00 0.00 C ATOM 661 O GLY A 44 -12.623 -2.290 -5.198 1.00 0.00 O ATOM 0 H GLY A 44 -11.198 -3.038 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.329 -1.013 -2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.605 -0.717 -2.569 1.00 0.00 H new ATOM 665 N GLU A 45 -11.718 -0.236 -4.982 1.00 0.00 N ATOM 666 CA GLU A 45 -11.491 -0.012 -6.397 1.00 0.00 C ATOM 667 C GLU A 45 -10.011 0.213 -6.680 1.00 0.00 C ATOM 668 O GLU A 45 -9.152 -0.426 -6.065 1.00 0.00 O ATOM 669 CB GLU A 45 -12.331 1.151 -6.935 1.00 0.00 C ATOM 670 CG GLU A 45 -13.814 0.835 -7.075 1.00 0.00 C ATOM 671 CD GLU A 45 -14.089 -0.283 -8.069 1.00 0.00 C ATOM 672 OE1 GLU A 45 -13.125 -0.874 -8.607 1.00 0.00 O ATOM 673 OE2 GLU A 45 -15.277 -0.587 -8.316 1.00 0.00 O ATOM 0 H GLU A 45 -11.418 0.541 -4.393 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.810 -0.912 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.214 2.007 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.940 1.447 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.214 0.555 -6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.344 1.734 -7.391 1.00 0.00 H new ATOM 680 N ARG A 46 -9.737 0.992 -7.719 1.00 0.00 N ATOM 681 CA ARG A 46 -8.385 1.175 -8.227 1.00 0.00 C ATOM 682 C ARG A 46 -7.412 1.656 -7.175 1.00 0.00 C ATOM 683 O ARG A 46 -7.758 2.402 -6.255 1.00 0.00 O ATOM 684 CB ARG A 46 -8.381 2.151 -9.394 1.00 0.00 C ATOM 685 CG ARG A 46 -9.094 1.641 -10.625 1.00 0.00 C ATOM 686 CD ARG A 46 -8.401 0.416 -11.203 1.00 0.00 C ATOM 687 NE ARG A 46 -6.982 0.663 -11.486 1.00 0.00 N ATOM 688 CZ ARG A 46 -6.522 1.556 -12.372 1.00 0.00 C ATOM 689 NH1 ARG A 46 -7.359 2.237 -13.148 1.00 0.00 N ATOM 690 NH2 ARG A 46 -5.216 1.757 -12.483 1.00 0.00 N ATOM 0 H ARG A 46 -10.447 1.514 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.052 0.190 -8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.848 3.083 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.349 2.385 -9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.125 1.392 -10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.131 2.428 -11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.491 -0.414 -10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.906 0.115 -12.121 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.295 0.114 -10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.364 2.082 -13.073 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.996 2.914 -13.819 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.568 1.233 -11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.860 2.436 -13.156 1.00 0.00 H new ATOM 704 N PHE A 47 -6.195 1.175 -7.306 1.00 0.00 N ATOM 705 CA PHE A 47 -5.155 1.475 -6.356 1.00 0.00 C ATOM 706 C PHE A 47 -3.798 1.447 -7.032 1.00 0.00 C ATOM 707 O PHE A 47 -3.583 0.710 -7.996 1.00 0.00 O ATOM 708 CB PHE A 47 -5.201 0.472 -5.203 1.00 0.00 C ATOM 709 CG PHE A 47 -4.838 -0.945 -5.562 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.507 -1.327 -5.693 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.825 -1.912 -5.684 1.00 0.00 C ATOM 712 CE1 PHE A 47 -3.172 -2.642 -5.956 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.492 -3.231 -5.935 1.00 0.00 C ATOM 714 CZ PHE A 47 -4.166 -3.594 -6.074 1.00 0.00 C ATOM 0 H PHE A 47 -5.903 0.568 -8.072 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.317 2.477 -5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.525 0.814 -4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.206 0.475 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.727 -0.588 -5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.863 -1.632 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.136 -2.924 -6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.268 -3.977 -6.022 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.907 -4.623 -6.275 1.00 0.00 H new ATOM 724 N ALA A 48 -2.878 2.206 -6.490 1.00 0.00 N ATOM 725 CA ALA A 48 -1.524 2.218 -6.992 1.00 0.00 C ATOM 726 C ALA A 48 -0.661 1.327 -6.133 1.00 0.00 C ATOM 727 O ALA A 48 -0.997 1.054 -4.986 1.00 0.00 O ATOM 728 CB ALA A 48 -0.965 3.629 -7.052 1.00 0.00 C ATOM 0 H ALA A 48 -3.042 2.827 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.527 1.834 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.055 3.600 -7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.583 4.237 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.966 4.063 -6.052 1.00 0.00 H new ATOM 734 N TYR A 49 0.387 0.789 -6.712 1.00 0.00 N ATOM 735 CA TYR A 49 1.214 -0.166 -6.016 1.00 0.00 C ATOM 736 C TYR A 49 2.675 0.163 -6.307 1.00 0.00 C ATOM 737 O TYR A 49 2.996 0.677 -7.380 1.00 0.00 O ATOM 738 CB TYR A 49 0.867 -1.596 -6.481 1.00 0.00 C ATOM 739 CG TYR A 49 1.578 -2.024 -7.737 1.00 0.00 C ATOM 740 CD1 TYR A 49 2.886 -2.449 -7.656 1.00 0.00 C ATOM 741 CD2 TYR A 49 0.975 -1.975 -8.982 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.592 -2.822 -8.767 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.672 -2.354 -10.117 1.00 0.00 C ATOM 744 CZ TYR A 49 2.985 -2.776 -10.003 1.00 0.00 C ATOM 745 OH TYR A 49 3.691 -3.145 -11.124 1.00 0.00 O ATOM 0 H TYR A 49 0.687 0.997 -7.665 1.00 0.00 H new ATOM 0 HA TYR A 49 1.038 -0.112 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.111 -2.296 -5.682 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.209 -1.662 -6.645 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.367 -2.489 -6.690 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.048 -1.638 -9.069 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.617 -3.150 -8.676 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.194 -2.320 -11.085 1.00 0.00 H new ATOM 0 HH TYR A 49 3.119 -3.057 -11.915 1.00 0.00 H new ATOM 755 N VAL A 50 3.553 -0.148 -5.375 1.00 0.00 N ATOM 756 CA VAL A 50 4.970 0.090 -5.561 1.00 0.00 C ATOM 757 C VAL A 50 5.748 -1.167 -5.242 1.00 0.00 C ATOM 758 O VAL A 50 5.637 -1.717 -4.143 1.00 0.00 O ATOM 759 CB VAL A 50 5.483 1.221 -4.646 1.00 0.00 C ATOM 760 CG1 VAL A 50 6.953 1.511 -4.916 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.644 2.476 -4.817 1.00 0.00 C ATOM 0 H VAL A 50 3.309 -0.568 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 50 5.116 0.382 -6.601 1.00 0.00 H new ATOM 0 HB VAL A 50 5.388 0.889 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.292 2.312 -4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.542 0.613 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.079 1.816 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.024 3.260 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.697 2.811 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.608 2.259 -4.559 1.00 0.00 H new ATOM 771 N ASP A 51 6.575 -1.587 -6.179 1.00 0.00 N ATOM 772 CA ASP A 51 7.426 -2.741 -5.972 1.00 0.00 C ATOM 773 C ASP A 51 8.613 -2.389 -5.073 1.00 0.00 C ATOM 774 O ASP A 51 9.256 -1.353 -5.241 1.00 0.00 O ATOM 775 CB ASP A 51 7.866 -3.346 -7.316 1.00 0.00 C ATOM 776 CG ASP A 51 8.408 -2.329 -8.304 1.00 0.00 C ATOM 777 OD1 ASP A 51 9.457 -1.726 -8.041 1.00 0.00 O ATOM 778 OD2 ASP A 51 7.760 -2.120 -9.351 1.00 0.00 O ATOM 0 H ASP A 51 6.675 -1.145 -7.093 1.00 0.00 H new ATOM 0 HA ASP A 51 6.852 -3.508 -5.452 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.631 -4.100 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.016 -3.859 -7.767 1.00 0.00 H new ATOM 783 N ILE A 52 8.820 -3.206 -4.042 1.00 0.00 N ATOM 784 CA ILE A 52 9.837 -2.934 -3.027 1.00 0.00 C ATOM 785 C ILE A 52 10.488 -4.198 -2.490 1.00 0.00 C ATOM 786 O ILE A 52 11.699 -4.236 -2.362 1.00 0.00 O ATOM 787 CB ILE A 52 9.324 -2.061 -1.862 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.833 -2.254 -1.632 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.651 -0.604 -2.089 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.472 -3.583 -1.035 1.00 0.00 C ATOM 0 H ILE A 52 8.294 -4.066 -3.887 1.00 0.00 H new ATOM 0 HA ILE A 52 10.599 -2.359 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 52 9.841 -2.387 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.472 -1.463 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.312 -2.141 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.278 -0.013 -1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.731 -0.481 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.180 -0.265 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.392 -3.641 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.800 -4.382 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.962 -3.693 -0.068 1.00 0.00 H new ATOM 802 N LEU A 53 9.737 -5.289 -2.337 1.00 0.00 N ATOM 803 CA LEU A 53 10.381 -6.567 -2.010 1.00 0.00 C ATOM 804 C LEU A 53 11.291 -6.987 -3.163 1.00 0.00 C ATOM 805 O LEU A 53 12.098 -7.905 -3.039 1.00 0.00 O ATOM 806 CB LEU A 53 9.394 -7.706 -1.694 1.00 0.00 C ATOM 807 CG LEU A 53 8.499 -7.535 -0.460 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.204 -6.722 0.605 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.147 -6.941 -0.812 1.00 0.00 C ATOM 0 H LEU A 53 8.722 -5.320 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 53 10.953 -6.397 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.750 -7.845 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.967 -8.625 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 53 8.306 -8.528 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.551 -6.613 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.121 -7.230 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.448 -5.737 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.548 -6.839 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.288 -5.961 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.633 -7.597 -1.515 1.00 0.00 H new ATOM 821 N GLN A 54 11.141 -6.286 -4.282 1.00 0.00 N ATOM 822 CA GLN A 54 11.923 -6.530 -5.476 1.00 0.00 C ATOM 823 C GLN A 54 13.121 -5.562 -5.541 1.00 0.00 C ATOM 824 O GLN A 54 14.244 -5.989 -5.807 1.00 0.00 O ATOM 825 CB GLN A 54 10.989 -6.429 -6.706 1.00 0.00 C ATOM 826 CG GLN A 54 11.650 -6.685 -8.060 1.00 0.00 C ATOM 827 CD GLN A 54 12.309 -5.456 -8.665 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.064 -4.297 -8.076 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 12.983 -5.545 -9.688 1.00 0.00 N flip ATOM 0 H GLN A 54 10.466 -5.528 -4.381 1.00 0.00 H new ATOM 0 HA GLN A 54 12.349 -7.533 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.173 -7.141 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.544 -5.434 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.400 -7.468 -7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.899 -7.062 -8.755 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.149 -6.458 -10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.377 -4.706 -10.114 1.00 0.00 H new ATOM 838 N ASN A 55 12.905 -4.282 -5.198 1.00 0.00 N ATOM 839 CA ASN A 55 14.013 -3.310 -5.119 1.00 0.00 C ATOM 840 C ASN A 55 14.645 -3.327 -3.734 1.00 0.00 C ATOM 841 O ASN A 55 13.999 -2.958 -2.763 1.00 0.00 O ATOM 842 CB ASN A 55 13.530 -1.880 -5.391 1.00 0.00 C ATOM 843 CG ASN A 55 12.921 -1.696 -6.759 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.570 -1.908 -7.782 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.668 -1.289 -6.785 1.00 0.00 N ATOM 0 H ASN A 55 11.987 -3.897 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 55 14.739 -3.603 -5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.794 -1.604 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.371 -1.195 -5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.199 -1.138 -7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.167 -1.125 -5.912 1.00 0.00 H new ATOM 852 N PRO A 56 15.919 -3.712 -3.619 1.00 0.00 N ATOM 853 CA PRO A 56 16.614 -3.734 -2.329 1.00 0.00 C ATOM 854 C PRO A 56 16.771 -2.343 -1.701 1.00 0.00 C ATOM 855 O PRO A 56 16.616 -2.183 -0.490 1.00 0.00 O ATOM 856 CB PRO A 56 17.984 -4.338 -2.660 1.00 0.00 C ATOM 857 CG PRO A 56 18.159 -4.155 -4.130 1.00 0.00 C ATOM 858 CD PRO A 56 16.784 -4.139 -4.731 1.00 0.00 C ATOM 0 HA PRO A 56 16.052 -4.303 -1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.777 -3.837 -2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.023 -5.393 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.685 -3.225 -4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.756 -4.963 -4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.723 -3.449 -5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.499 -5.123 -5.104 1.00 0.00 H new ATOM 866 N ASP A 57 17.148 -1.363 -2.518 1.00 0.00 N ATOM 867 CA ASP A 57 17.416 -0.004 -2.035 1.00 0.00 C ATOM 868 C ASP A 57 16.163 0.652 -1.466 1.00 0.00 C ATOM 869 O ASP A 57 16.176 1.192 -0.360 1.00 0.00 O ATOM 870 CB ASP A 57 17.978 0.848 -3.181 1.00 0.00 C ATOM 871 CG ASP A 57 18.285 2.280 -2.786 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.132 2.491 -1.892 1.00 0.00 O ATOM 873 OD2 ASP A 57 17.706 3.204 -3.394 1.00 0.00 O ATOM 0 H ASP A 57 17.276 -1.482 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 57 18.147 -0.072 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 57 18.889 0.381 -3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.262 0.853 -4.002 1.00 0.00 H new ATOM 878 N ILE A 58 15.089 0.615 -2.236 1.00 0.00 N ATOM 879 CA ILE A 58 13.833 1.224 -1.823 1.00 0.00 C ATOM 880 C ILE A 58 13.220 0.448 -0.662 1.00 0.00 C ATOM 881 O ILE A 58 12.703 1.039 0.279 1.00 0.00 O ATOM 882 CB ILE A 58 12.833 1.303 -3.000 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.490 1.988 -4.203 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.586 2.069 -2.580 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.582 2.107 -5.410 1.00 0.00 C ATOM 0 H ILE A 58 15.060 0.169 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 58 14.049 2.241 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 58 12.544 0.291 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.818 2.984 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.382 1.429 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.890 2.118 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.111 1.559 -1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.864 3.079 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.117 2.602 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.274 1.113 -5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.701 2.692 -5.146 1.00 0.00 H new ATOM 897 N ARG A 59 13.298 -0.876 -0.737 1.00 0.00 N ATOM 898 CA ARG A 59 12.762 -1.756 0.301 1.00 0.00 C ATOM 899 C ARG A 59 13.271 -1.377 1.685 1.00 0.00 C ATOM 900 O ARG A 59 12.612 -1.644 2.683 1.00 0.00 O ATOM 901 CB ARG A 59 13.161 -3.204 0.011 1.00 0.00 C ATOM 902 CG ARG A 59 12.645 -4.219 1.019 1.00 0.00 C ATOM 903 CD ARG A 59 13.149 -5.614 0.694 1.00 0.00 C ATOM 904 NE ARG A 59 12.684 -6.606 1.659 1.00 0.00 N ATOM 905 CZ ARG A 59 13.023 -7.891 1.618 1.00 0.00 C ATOM 906 NH1 ARG A 59 13.869 -8.329 0.691 1.00 0.00 N ATOM 907 NH2 ARG A 59 12.535 -8.730 2.525 1.00 0.00 N ATOM 0 H ARG A 59 13.733 -1.371 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 59 11.677 -1.648 0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.794 -3.476 -0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.249 -3.267 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.967 -3.937 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.555 -4.214 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.815 -5.896 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.239 -5.610 0.676 1.00 0.00 H new ATOM 0 HE ARG A 59 12.064 -6.296 2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.260 -7.679 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.128 -9.315 0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.903 -8.388 3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.792 -9.717 2.498 1.00 0.00 H new ATOM 921 N ALA A 60 14.526 -0.977 1.747 1.00 0.00 N ATOM 922 CA ALA A 60 15.199 -0.823 3.020 1.00 0.00 C ATOM 923 C ALA A 60 14.719 0.374 3.849 1.00 0.00 C ATOM 924 O ALA A 60 14.704 0.280 5.071 1.00 0.00 O ATOM 925 CB ALA A 60 16.696 -0.731 2.792 1.00 0.00 C ATOM 0 H ALA A 60 15.098 -0.754 0.933 1.00 0.00 H new ATOM 0 HA ALA A 60 14.948 -1.706 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 60 17.203 -0.615 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 60 17.046 -1.640 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.915 0.129 2.159 1.00 0.00 H new ATOM 931 N GLU A 61 14.641 1.552 3.233 1.00 0.00 N ATOM 932 CA GLU A 61 14.550 2.790 4.024 1.00 0.00 C ATOM 933 C GLU A 61 13.153 3.125 4.570 1.00 0.00 C ATOM 934 O GLU A 61 13.019 3.433 5.756 1.00 0.00 O ATOM 935 CB GLU A 61 15.064 3.974 3.206 1.00 0.00 C ATOM 936 CG GLU A 61 16.506 3.816 2.755 1.00 0.00 C ATOM 937 CD GLU A 61 17.033 5.048 2.050 1.00 0.00 C ATOM 938 OE1 GLU A 61 17.047 6.128 2.676 1.00 0.00 O ATOM 939 OE2 GLU A 61 17.442 4.940 0.875 1.00 0.00 O ATOM 0 H GLU A 61 14.638 1.681 2.221 1.00 0.00 H new ATOM 0 HA GLU A 61 15.173 2.605 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.429 4.103 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.975 4.883 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.132 3.601 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.582 2.959 2.086 1.00 0.00 H new ATOM 946 N LEU A 62 12.166 3.283 3.689 1.00 0.00 N ATOM 947 CA LEU A 62 10.871 3.846 4.116 1.00 0.00 C ATOM 948 C LEU A 62 10.074 2.974 5.092 1.00 0.00 C ATOM 949 O LEU A 62 9.345 3.526 5.910 1.00 0.00 O ATOM 950 CB LEU A 62 9.944 4.227 2.960 1.00 0.00 C ATOM 951 CG LEU A 62 9.403 3.072 2.126 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.144 3.494 1.396 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.441 2.627 1.127 1.00 0.00 C ATOM 0 H LEU A 62 12.226 3.039 2.700 1.00 0.00 H new ATOM 0 HA LEU A 62 11.190 4.747 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.099 4.782 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.482 4.906 2.298 1.00 0.00 H new ATOM 0 HG LEU A 62 9.165 2.243 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.769 2.659 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.387 3.794 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.369 4.333 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.046 1.801 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.692 3.458 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.337 2.299 1.655 1.00 0.00 H new ATOM 965 N PRO A 63 10.127 1.629 5.029 1.00 0.00 N ATOM 966 CA PRO A 63 9.336 0.794 5.933 1.00 0.00 C ATOM 967 C PRO A 63 9.621 1.154 7.376 1.00 0.00 C ATOM 968 O PRO A 63 8.707 1.289 8.196 1.00 0.00 O ATOM 969 CB PRO A 63 9.812 -0.629 5.631 1.00 0.00 C ATOM 970 CG PRO A 63 11.082 -0.459 4.879 1.00 0.00 C ATOM 971 CD PRO A 63 10.909 0.803 4.101 1.00 0.00 C ATOM 0 HA PRO A 63 8.263 0.919 5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.970 -1.195 6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.075 -1.175 5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.934 -0.391 5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.266 -1.307 4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.865 1.263 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.382 0.634 3.162 1.00 0.00 H new ATOM 979 N LYS A 64 10.900 1.404 7.632 1.00 0.00 N ATOM 980 CA LYS A 64 11.384 1.861 8.917 1.00 0.00 C ATOM 981 C LYS A 64 10.602 3.071 9.386 1.00 0.00 C ATOM 982 O LYS A 64 10.273 3.200 10.564 1.00 0.00 O ATOM 983 CB LYS A 64 12.846 2.220 8.768 1.00 0.00 C ATOM 984 CG LYS A 64 13.686 1.039 8.356 1.00 0.00 C ATOM 985 CD LYS A 64 14.989 1.463 7.701 1.00 0.00 C ATOM 986 CE LYS A 64 15.908 2.298 8.587 1.00 0.00 C ATOM 987 NZ LYS A 64 15.361 3.642 8.920 1.00 0.00 N ATOM 0 H LYS A 64 11.637 1.291 6.936 1.00 0.00 H new ATOM 0 HA LYS A 64 11.257 1.072 9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.949 3.013 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.219 2.616 9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.904 0.427 9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.119 0.416 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.527 0.570 7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.758 2.033 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.099 1.754 9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.868 2.420 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.129 4.343 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.637 3.905 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.934 3.618 9.868 1.00 0.00 H new ATOM 1001 N TYR A 65 10.323 3.964 8.450 1.00 0.00 N ATOM 1002 CA TYR A 65 9.597 5.172 8.754 1.00 0.00 C ATOM 1003 C TYR A 65 8.136 4.853 9.062 1.00 0.00 C ATOM 1004 O TYR A 65 7.553 5.482 9.945 1.00 0.00 O ATOM 1005 CB TYR A 65 9.777 6.219 7.617 1.00 0.00 C ATOM 1006 CG TYR A 65 8.576 6.529 6.720 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.390 7.037 7.243 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.650 6.348 5.336 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.324 7.354 6.428 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.577 6.658 4.515 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.421 7.162 5.069 1.00 0.00 C ATOM 1012 OH TYR A 65 5.363 7.494 4.258 1.00 0.00 O ATOM 0 H TYR A 65 10.593 3.868 7.471 1.00 0.00 H new ATOM 0 HA TYR A 65 10.008 5.627 9.655 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.101 7.154 8.074 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.591 5.878 6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.303 7.186 8.309 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.558 5.960 4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.415 7.752 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.647 6.505 3.448 1.00 0.00 H new ATOM 0 HH TYR A 65 4.627 6.865 4.407 1.00 0.00 H new ATOM 1022 N ALA A 66 7.495 3.965 8.284 1.00 0.00 N ATOM 1023 CA ALA A 66 6.071 3.753 8.495 1.00 0.00 C ATOM 1024 C ALA A 66 5.777 2.908 9.738 1.00 0.00 C ATOM 1025 O ALA A 66 5.309 3.451 10.730 1.00 0.00 O ATOM 1026 CB ALA A 66 5.497 3.062 7.278 1.00 0.00 C ATOM 0 H ALA A 66 7.922 3.411 7.541 1.00 0.00 H new ATOM 0 HA ALA A 66 5.611 4.729 8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.429 2.897 7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.651 3.687 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.996 2.104 7.135 1.00 0.00 H new ATOM 1032 N ASN A 67 6.290 1.673 9.765 1.00 0.00 N ATOM 1033 CA ASN A 67 6.318 0.821 10.963 1.00 0.00 C ATOM 1034 C ASN A 67 7.218 -0.385 10.700 1.00 0.00 C ATOM 1035 O ASN A 67 8.154 -0.676 11.446 1.00 0.00 O ATOM 1036 CB ASN A 67 4.941 0.241 11.357 1.00 0.00 C ATOM 1037 CG ASN A 67 3.915 1.200 11.937 1.00 0.00 C ATOM 1038 OD1 ASN A 67 3.346 2.043 11.250 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.659 1.064 13.218 1.00 0.00 N ATOM 0 H ASN A 67 6.704 1.229 8.945 1.00 0.00 H new ATOM 0 HA ASN A 67 6.671 1.465 11.768 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.505 -0.222 10.472 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.107 -0.554 12.084 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.971 1.668 13.668 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.148 0.354 13.763 1.00 0.00 H new ATOM 1046 N TRP A 68 6.809 -1.131 9.664 1.00 0.00 N ATOM 1047 CA TRP A 68 7.411 -2.406 9.252 1.00 0.00 C ATOM 1048 C TRP A 68 8.915 -2.328 9.026 1.00 0.00 C ATOM 1049 O TRP A 68 9.418 -1.338 8.527 1.00 0.00 O ATOM 1050 CB TRP A 68 6.775 -2.884 7.938 1.00 0.00 C ATOM 1051 CG TRP A 68 5.441 -3.572 8.047 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.165 -4.820 7.576 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.209 -3.076 8.603 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.855 -5.141 7.813 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.247 -4.095 8.447 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.820 -1.887 9.223 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.933 -3.962 8.890 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.513 -1.756 9.661 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.586 -2.786 9.493 1.00 0.00 C ATOM 0 H TRP A 68 6.026 -0.855 9.072 1.00 0.00 H new ATOM 0 HA TRP A 68 7.225 -3.097 10.074 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.661 -2.022 7.281 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.472 -3.566 7.451 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.879 -5.465 7.085 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.405 -6.020 7.557 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.527 -1.082 9.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.215 -4.759 8.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.205 -0.839 10.142 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.575 -2.651 9.847 1.00 0.00 H new ATOM 1070 N PRO A 69 9.638 -3.436 9.259 1.00 0.00 N ATOM 1071 CA PRO A 69 11.059 -3.519 8.914 1.00 0.00 C ATOM 1072 C PRO A 69 11.243 -3.408 7.399 1.00 0.00 C ATOM 1073 O PRO A 69 12.135 -2.710 6.913 1.00 0.00 O ATOM 1074 CB PRO A 69 11.481 -4.899 9.427 1.00 0.00 C ATOM 1075 CG PRO A 69 10.223 -5.699 9.476 1.00 0.00 C ATOM 1076 CD PRO A 69 9.100 -4.728 9.726 1.00 0.00 C ATOM 0 HA PRO A 69 11.656 -2.717 9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.214 -5.358 8.764 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.942 -4.829 10.412 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.069 -6.235 8.540 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.271 -6.447 10.268 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.200 -5.008 9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.831 -4.691 10.782 1.00 0.00 H new ATOM 1084 N THR A 70 10.303 -4.012 6.674 1.00 0.00 N ATOM 1085 CA THR A 70 10.219 -3.915 5.222 1.00 0.00 C ATOM 1086 C THR A 70 8.745 -3.837 4.804 1.00 0.00 C ATOM 1087 O THR A 70 8.029 -2.942 5.243 1.00 0.00 O ATOM 1088 CB THR A 70 10.936 -5.088 4.514 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.388 -6.349 4.922 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.428 -5.057 4.809 1.00 0.00 C ATOM 0 H THR A 70 9.570 -4.589 7.086 1.00 0.00 H new ATOM 0 HA THR A 70 10.735 -3.007 4.910 1.00 0.00 H new ATOM 0 HB THR A 70 10.781 -4.973 3.441 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.857 -7.075 4.459 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.916 -5.890 4.303 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.850 -4.117 4.452 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.588 -5.142 5.884 1.00 0.00 H new ATOM 1098 N PHE A 71 8.288 -4.743 3.954 1.00 0.00 N ATOM 1099 CA PHE A 71 6.902 -4.709 3.494 1.00 0.00 C ATOM 1100 C PHE A 71 6.371 -6.148 3.405 1.00 0.00 C ATOM 1101 O PHE A 71 7.046 -7.057 3.888 1.00 0.00 O ATOM 1102 CB PHE A 71 6.826 -4.003 2.128 1.00 0.00 C ATOM 1103 CG PHE A 71 7.485 -2.650 2.083 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.862 -2.547 1.980 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.734 -1.488 2.120 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.473 -1.318 1.923 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.345 -0.252 2.062 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.713 -0.171 1.964 1.00 0.00 C ATOM 0 H PHE A 71 8.847 -5.505 3.570 1.00 0.00 H new ATOM 0 HA PHE A 71 6.284 -4.150 4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.289 -4.643 1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.778 -3.891 1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.463 -3.444 1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.658 -1.549 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.548 -1.252 1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.750 0.649 2.094 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.193 0.795 1.919 1.00 0.00 H new ATOM 1118 N PRO A 72 5.195 -6.431 2.779 1.00 0.00 N ATOM 1119 CA PRO A 72 4.284 -5.453 2.146 1.00 0.00 C ATOM 1120 C PRO A 72 3.594 -4.508 3.130 1.00 0.00 C ATOM 1121 O PRO A 72 3.316 -4.870 4.276 1.00 0.00 O ATOM 1122 CB PRO A 72 3.243 -6.324 1.438 1.00 0.00 C ATOM 1123 CG PRO A 72 3.251 -7.609 2.183 1.00 0.00 C ATOM 1124 CD PRO A 72 4.658 -7.801 2.675 1.00 0.00 C ATOM 0 HA PRO A 72 4.843 -4.790 1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.257 -5.860 1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.500 -6.473 0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.548 -7.580 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.948 -8.434 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.677 -8.310 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.243 -8.407 1.983 1.00 0.00 H new ATOM 1132 N GLN A 73 3.236 -3.327 2.633 1.00 0.00 N ATOM 1133 CA GLN A 73 2.478 -2.351 3.408 1.00 0.00 C ATOM 1134 C GLN A 73 1.456 -1.660 2.506 1.00 0.00 C ATOM 1135 O GLN A 73 1.787 -1.211 1.409 1.00 0.00 O ATOM 1136 CB GLN A 73 3.373 -1.265 3.997 1.00 0.00 C ATOM 1137 CG GLN A 73 4.537 -1.749 4.833 1.00 0.00 C ATOM 1138 CD GLN A 73 5.334 -0.581 5.388 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.385 -0.465 6.701 1.00 0.00 O flip ATOM 1140 NE2 GLN A 73 5.873 0.229 4.642 1.00 0.00 N flip ATOM 0 H GLN A 73 3.462 -3.021 1.687 1.00 0.00 H new ATOM 0 HA GLN A 73 1.996 -2.897 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.765 -0.661 3.179 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.758 -0.608 4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.168 -2.364 5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.186 -2.381 4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.814 0.109 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.381 1.023 5.033 1.00 0.00 H new ATOM 1149 N LEU A 74 0.240 -1.531 3.000 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.820 -0.835 2.285 1.00 0.00 C ATOM 1151 C LEU A 74 -0.952 0.582 2.831 1.00 0.00 C ATOM 1152 O LEU A 74 -0.956 0.786 4.047 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.126 -1.631 2.428 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.363 -1.130 1.657 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.937 0.147 2.256 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.014 -0.911 0.199 1.00 0.00 C ATOM 0 H LEU A 74 -0.044 -1.904 3.906 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.585 -0.760 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.929 -2.656 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.383 -1.665 3.487 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.130 -1.900 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.807 0.461 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.234 -0.037 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.182 0.932 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.895 -0.557 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.220 -0.168 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.676 -1.850 -0.239 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.070 1.547 1.931 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.221 2.941 2.302 1.00 0.00 C ATOM 1170 C TRP A 75 -2.538 3.503 1.773 1.00 0.00 C ATOM 1171 O TRP A 75 -2.856 3.379 0.589 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.051 3.762 1.771 1.00 0.00 C ATOM 1173 CG TRP A 75 1.271 3.376 2.356 1.00 0.00 C ATOM 1174 CD1 TRP A 75 2.014 2.252 2.109 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.977 4.109 3.347 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.163 2.277 2.870 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.155 3.408 3.639 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.723 5.309 4.004 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 4.078 3.873 4.565 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.638 5.770 4.927 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.803 5.052 5.199 1.00 0.00 C ATOM 0 H TRP A 75 -1.063 1.383 0.924 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.231 3.003 3.390 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.004 3.653 0.687 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.235 4.816 1.977 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.741 1.465 1.422 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.897 1.569 2.861 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.824 5.870 3.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.982 3.322 4.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.450 6.698 5.446 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.503 5.436 5.926 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.274 4.163 2.649 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.529 4.800 2.290 1.00 0.00 C ATOM 1194 C VAL A 76 -4.401 6.306 2.490 1.00 0.00 C ATOM 1195 O VAL A 76 -4.082 6.746 3.594 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.687 4.265 3.170 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -6.994 4.956 2.846 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.837 2.764 3.014 1.00 0.00 C ATOM 0 H VAL A 76 -3.019 4.273 3.630 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.750 4.575 1.247 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.435 4.485 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.784 4.556 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.893 6.027 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.247 4.783 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.656 2.413 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.051 2.526 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.912 2.273 3.316 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.595 7.081 1.416 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.444 8.545 1.466 1.00 0.00 C ATOM 1210 C ASP A 77 -3.050 8.874 2.009 1.00 0.00 C ATOM 1211 O ASP A 77 -2.831 9.801 2.784 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.542 9.135 2.346 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.700 10.656 2.270 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.745 11.397 2.564 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.806 11.127 1.928 1.00 0.00 O ATOM 0 H ASP A 77 -4.857 6.720 0.499 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.541 8.980 0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.491 8.674 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.342 8.859 3.381 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.116 8.058 1.592 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.734 8.196 2.004 1.00 0.00 C ATOM 1222 C GLY A 78 -0.499 7.917 3.480 1.00 0.00 C ATOM 1223 O GLY A 78 0.471 8.413 4.053 1.00 0.00 O ATOM 0 H GLY A 78 -2.287 7.278 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.120 7.516 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.397 9.208 1.778 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.320 7.059 4.078 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.109 6.655 5.463 1.00 0.00 C ATOM 1229 C GLU A 79 -1.207 5.145 5.621 1.00 0.00 C ATOM 1230 O GLU A 79 -2.013 4.484 4.969 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.061 7.363 6.427 1.00 0.00 C ATOM 1232 CG GLU A 79 -1.839 8.863 6.496 1.00 0.00 C ATOM 1233 CD GLU A 79 -2.617 9.525 7.613 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -3.324 8.817 8.362 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -2.507 10.760 7.764 1.00 0.00 O ATOM 0 H GLU A 79 -2.131 6.633 3.629 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.097 6.962 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.089 7.168 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.940 6.938 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.776 9.062 6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.126 9.311 5.545 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.250 4.604 6.363 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.063 3.169 6.482 1.00 0.00 C ATOM 1244 C LEU A 80 -1.209 2.482 7.219 1.00 0.00 C ATOM 1245 O LEU A 80 -1.500 2.800 8.370 1.00 0.00 O ATOM 1246 CB LEU A 80 1.254 2.895 7.211 1.00 0.00 C ATOM 1247 CG LEU A 80 1.557 1.426 7.472 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.776 0.676 6.175 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.762 1.291 8.373 1.00 0.00 C ATOM 0 H LEU A 80 0.420 5.153 6.901 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.041 2.756 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.070 3.319 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.239 3.421 8.165 1.00 0.00 H new ATOM 0 HG LEU A 80 0.695 0.985 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.991 -0.371 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.878 0.743 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.617 1.115 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.967 0.235 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.626 1.753 7.896 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.563 1.787 9.323 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.716 1.419 6.609 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.665 0.532 7.264 1.00 0.00 C ATOM 1263 C VAL A 81 -1.971 -0.781 7.643 1.00 0.00 C ATOM 1264 O VAL A 81 -2.003 -1.206 8.797 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.878 0.229 6.347 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.826 -0.766 6.998 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.628 1.506 5.999 1.00 0.00 C ATOM 0 H VAL A 81 -1.483 1.149 5.653 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.030 1.032 8.161 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.490 -0.213 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.666 -0.958 6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.297 -1.699 7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.195 -0.355 7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.474 1.267 5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.989 1.976 6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.958 2.191 5.479 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.355 -1.413 6.650 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.667 -2.683 6.847 1.00 0.00 C ATOM 1279 C GLY A 82 -0.790 -3.539 5.608 1.00 0.00 C ATOM 1280 O GLY A 82 -1.812 -3.474 4.941 1.00 0.00 O ATOM 0 H GLY A 82 -1.318 -1.062 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.384 -2.505 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.092 -3.206 7.704 1.00 0.00 H new ATOM 1284 N GLY A 83 0.305 -4.142 5.160 1.00 0.00 N ATOM 1285 CA GLY A 83 0.290 -4.739 3.834 1.00 0.00 C ATOM 1286 C GLY A 83 -0.264 -6.152 3.737 1.00 0.00 C ATOM 1287 O GLY A 83 -1.185 -6.383 2.973 1.00 0.00 O ATOM 0 H GLY A 83 1.182 -4.229 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.295 -4.096 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.310 -4.744 3.450 1.00 0.00 H new ATOM 1291 N CYS A 84 0.379 -7.126 4.364 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.014 -8.517 4.138 1.00 0.00 C ATOM 1293 C CYS A 84 -1.245 -8.928 4.947 1.00 0.00 C ATOM 1294 O CYS A 84 -2.284 -9.273 4.386 1.00 0.00 O ATOM 1295 CB CYS A 84 1.163 -9.453 4.421 1.00 0.00 C ATOM 1296 SG CYS A 84 1.870 -9.278 6.076 1.00 0.00 S ATOM 0 H CYS A 84 1.153 -6.991 5.015 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.295 -8.602 3.088 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.834 -10.483 4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.944 -9.269 3.683 1.00 0.00 H new ATOM 0 HG CYS A 84 2.856 -10.113 6.217 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.079 -8.981 6.258 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.123 -9.462 7.155 1.00 0.00 C ATOM 1304 C ASP A 85 -3.208 -8.421 7.346 1.00 0.00 C ATOM 1305 O ASP A 85 -4.396 -8.744 7.370 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.513 -9.830 8.505 1.00 0.00 C ATOM 1307 CG ASP A 85 -2.540 -10.351 9.493 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -3.187 -11.377 9.198 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -2.685 -9.743 10.573 1.00 0.00 O ATOM 0 H ASP A 85 -0.222 -8.694 6.731 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.578 -10.345 6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.743 -10.587 8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.022 -8.954 8.927 1.00 0.00 H new ATOM 1314 N ILE A 86 -2.785 -7.185 7.568 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.710 -6.108 7.864 1.00 0.00 C ATOM 1316 C ILE A 86 -4.735 -5.937 6.752 1.00 0.00 C ATOM 1317 O ILE A 86 -5.923 -5.829 7.025 1.00 0.00 O ATOM 1318 CB ILE A 86 -2.981 -4.776 8.097 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -1.961 -4.912 9.232 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -3.991 -3.685 8.415 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.568 -5.287 10.567 1.00 0.00 C ATOM 0 H ILE A 86 -1.804 -6.906 7.548 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.225 -6.386 8.783 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.443 -4.505 7.189 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.224 -5.666 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.426 -3.968 9.340 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.469 -2.742 8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.683 -3.576 7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.546 -3.954 9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.780 -5.363 11.316 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.283 -4.522 10.869 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.078 -6.246 10.478 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.284 -5.960 5.498 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.202 -5.856 4.372 1.00 0.00 C ATOM 1335 C VAL A 87 -6.237 -6.968 4.409 1.00 0.00 C ATOM 1336 O VAL A 87 -7.419 -6.698 4.300 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.480 -5.879 3.008 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.481 -5.953 1.866 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.612 -4.648 2.849 1.00 0.00 C ATOM 0 H VAL A 87 -3.301 -6.049 5.241 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.695 -4.889 4.474 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.849 -6.767 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.948 -5.968 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.077 -6.861 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.137 -5.083 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.110 -4.679 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.234 -3.755 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.867 -4.623 3.644 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.793 -8.207 4.596 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.715 -9.337 4.673 1.00 0.00 C ATOM 1351 C ILE A 88 -7.702 -9.171 5.820 1.00 0.00 C ATOM 1352 O ILE A 88 -8.910 -9.304 5.624 1.00 0.00 O ATOM 1353 CB ILE A 88 -5.977 -10.683 4.829 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.151 -10.984 3.578 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -6.971 -11.809 5.098 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -5.987 -11.112 2.324 1.00 0.00 C ATOM 0 H ILE A 88 -4.808 -8.454 4.696 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.258 -9.349 3.728 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.301 -10.611 5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.416 -10.191 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.596 -11.909 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.433 -12.751 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.520 -11.598 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.671 -11.883 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.338 -11.326 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.704 -11.924 2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.522 -10.179 2.147 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.198 -8.869 7.010 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.075 -8.684 8.160 1.00 0.00 C ATOM 1370 C GLU A 89 -9.043 -7.534 7.907 1.00 0.00 C ATOM 1371 O GLU A 89 -10.247 -7.686 8.064 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.271 -8.384 9.426 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.142 -8.255 10.668 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.380 -7.749 11.875 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -6.378 -8.383 12.266 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -7.789 -6.714 12.442 1.00 0.00 O ATOM 0 H GLU A 89 -6.204 -8.748 7.203 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.629 -9.612 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.540 -9.178 9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.712 -7.459 9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.969 -7.577 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.578 -9.226 10.902 1.00 0.00 H new ATOM 1383 N MET A 90 -8.492 -6.384 7.541 1.00 0.00 N ATOM 1384 CA MET A 90 -9.272 -5.171 7.302 1.00 0.00 C ATOM 1385 C MET A 90 -10.277 -5.392 6.163 1.00 0.00 C ATOM 1386 O MET A 90 -11.428 -4.968 6.244 1.00 0.00 O ATOM 1387 CB MET A 90 -8.316 -4.009 7.008 1.00 0.00 C ATOM 1388 CG MET A 90 -8.967 -2.640 7.054 1.00 0.00 C ATOM 1389 SD MET A 90 -9.642 -2.248 8.682 1.00 0.00 S ATOM 1390 CE MET A 90 -8.169 -2.352 9.701 1.00 0.00 C ATOM 0 H MET A 90 -7.489 -6.263 7.400 1.00 0.00 H new ATOM 0 HA MET A 90 -9.852 -4.922 8.191 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.499 -4.035 7.729 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.876 -4.156 6.022 1.00 0.00 H new ATOM 0 HG2 MET A 90 -8.233 -1.883 6.777 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.765 -2.596 6.313 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.324 -1.792 10.623 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.965 -3.396 9.940 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.322 -1.931 9.160 1.00 0.00 H new ATOM 1400 N TYR A 91 -9.863 -6.188 5.186 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.731 -6.663 4.101 1.00 0.00 C ATOM 1402 C TYR A 91 -11.920 -7.441 4.653 1.00 0.00 C ATOM 1403 O TYR A 91 -13.072 -7.137 4.341 1.00 0.00 O ATOM 1404 CB TYR A 91 -9.878 -7.565 3.206 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.617 -8.544 2.332 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.346 -8.139 1.231 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.536 -9.897 2.604 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -11.987 -9.047 0.430 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.166 -10.822 1.812 1.00 0.00 C ATOM 1410 CZ TYR A 91 -11.896 -10.395 0.719 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.534 -11.313 -0.080 1.00 0.00 O ATOM 0 H TYR A 91 -8.904 -6.530 5.118 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.132 -5.819 3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.268 -6.929 2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.193 -8.126 3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.412 -7.087 0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.965 -10.232 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.560 -8.711 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.092 -11.875 2.040 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.367 -12.216 0.262 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.629 -8.412 5.503 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.666 -9.208 6.146 1.00 0.00 C ATOM 1423 C GLN A 92 -13.546 -8.313 7.019 1.00 0.00 C ATOM 1424 O GLN A 92 -14.772 -8.431 7.016 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.039 -10.331 6.973 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.187 -11.286 6.147 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.555 -12.379 6.985 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -9.760 -12.107 7.882 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -10.907 -13.622 6.705 1.00 0.00 N ATOM 0 H GLN A 92 -10.678 -8.670 5.766 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.292 -9.663 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.423 -9.893 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.831 -10.895 7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.805 -11.739 5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.403 -10.722 5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.570 -13.807 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.515 -14.396 7.242 1.00 0.00 H new ATOM 1438 N ARG A 93 -12.905 -7.362 7.695 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.598 -6.362 8.502 1.00 0.00 C ATOM 1440 C ARG A 93 -14.541 -5.522 7.633 1.00 0.00 C ATOM 1441 O ARG A 93 -15.521 -4.966 8.126 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.585 -5.441 9.200 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.570 -6.167 10.074 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.217 -6.883 11.250 1.00 0.00 C ATOM 1445 NE ARG A 93 -12.744 -5.949 12.249 1.00 0.00 N ATOM 1446 CZ ARG A 93 -11.980 -5.168 13.026 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -10.654 -5.258 12.976 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -12.543 -4.306 13.865 1.00 0.00 N ATOM 0 H ARG A 93 -11.890 -7.264 7.698 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.186 -6.886 9.256 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.050 -4.869 8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.129 -4.724 9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.026 -6.891 9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.839 -5.450 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.026 -7.517 10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.485 -7.539 11.720 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.756 -5.889 12.360 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.212 -5.925 12.343 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.079 -4.660 13.570 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.559 -4.237 13.919 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.959 -3.713 14.455 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.170 -5.340 6.363 1.00 0.00 N ATOM 1463 CA GLY A 94 -14.918 -4.463 5.475 1.00 0.00 C ATOM 1464 C GLY A 94 -14.450 -3.028 5.575 1.00 0.00 C ATOM 1465 O GLY A 94 -14.641 -2.232 4.667 1.00 0.00 O ATOM 0 H GLY A 94 -13.360 -5.788 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.810 -4.809 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.979 -4.517 5.720 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.855 -2.699 6.701 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.372 -1.354 6.971 1.00 0.00 C ATOM 1471 C GLU A 95 -12.273 -0.922 5.985 1.00 0.00 C ATOM 1472 O GLU A 95 -12.047 0.265 5.786 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.887 -1.294 8.414 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.985 -1.663 9.399 1.00 0.00 C ATOM 1475 CD GLU A 95 -13.512 -1.701 10.831 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -13.028 -0.662 11.327 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -13.645 -2.760 11.470 1.00 0.00 O ATOM 0 H GLU A 95 -13.690 -3.358 7.462 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.190 -0.648 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.043 -1.972 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.525 -0.289 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.799 -0.944 9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.391 -2.638 9.131 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.617 -1.890 5.353 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.566 -1.605 4.364 1.00 0.00 C ATOM 1486 C LEU A 96 -11.131 -0.821 3.192 1.00 0.00 C ATOM 1487 O LEU A 96 -10.694 0.288 2.895 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.962 -2.908 3.838 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.864 -2.741 2.785 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.653 -2.028 3.367 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.467 -4.092 2.216 1.00 0.00 C ATOM 0 H LEU A 96 -11.790 -2.884 5.504 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.795 -1.014 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.553 -3.466 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.762 -3.514 3.412 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.259 -2.126 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.888 -1.923 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.948 -1.041 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.254 -2.609 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.685 -3.957 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.095 -4.730 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.335 -4.561 1.752 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.165 -1.380 2.598 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.891 -0.726 1.512 1.00 0.00 C ATOM 1505 C GLN A 97 -13.563 0.547 1.985 1.00 0.00 C ATOM 1506 O GLN A 97 -13.737 1.474 1.215 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.898 -1.671 0.867 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.739 -2.451 1.851 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.547 -3.530 1.175 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.436 -3.254 0.371 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.216 -4.776 1.475 1.00 0.00 N ATOM 0 H GLN A 97 -12.531 -2.299 2.849 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.160 -0.452 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.559 -1.093 0.221 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.362 -2.373 0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.092 -2.901 2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.410 -1.770 2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.472 -4.958 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.705 -5.554 1.033 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.857 0.612 3.270 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.410 1.817 3.868 1.00 0.00 C ATOM 1522 C GLN A 98 -13.395 2.945 3.774 1.00 0.00 C ATOM 1523 O GLN A 98 -13.706 4.050 3.324 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.777 1.555 5.332 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.953 0.611 5.525 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.256 1.174 4.991 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.409 1.414 3.792 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -18.203 1.406 5.886 1.00 0.00 N ATOM 0 H GLN A 98 -13.722 -0.159 3.924 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.313 2.105 3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.908 1.142 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.008 2.506 5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.740 -0.334 5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.066 0.392 6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.038 1.194 6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.098 1.797 5.592 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.169 2.631 4.163 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.065 3.576 4.103 1.00 0.00 C ATOM 1539 C LEU A 99 -10.749 3.920 2.659 1.00 0.00 C ATOM 1540 O LEU A 99 -10.548 5.088 2.315 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.819 2.971 4.752 1.00 0.00 C ATOM 1542 CG LEU A 99 -10.035 2.359 6.135 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.736 1.772 6.667 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.589 3.391 7.105 1.00 0.00 C ATOM 0 H LEU A 99 -11.912 1.714 4.529 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.356 4.479 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.422 2.201 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.058 3.747 4.831 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.766 1.556 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.909 1.340 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.382 0.996 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.985 2.558 6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.734 2.931 8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.887 4.220 7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.544 3.763 6.734 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.683 2.886 1.827 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.362 3.064 0.422 1.00 0.00 C ATOM 1558 C ILE A 100 -11.443 3.885 -0.262 1.00 0.00 C ATOM 1559 O ILE A 100 -11.137 4.813 -0.990 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.193 1.715 -0.315 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.098 0.869 0.347 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.858 1.952 -1.782 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.732 1.521 0.347 1.00 0.00 C ATOM 0 H ILE A 100 -10.848 1.918 2.104 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.409 3.591 0.375 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.135 1.171 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.389 0.658 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.032 -0.089 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.742 0.994 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.663 2.516 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.929 2.516 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.014 0.860 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.418 1.707 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.780 2.466 0.889 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.703 3.567 0.023 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.840 4.296 -0.528 1.00 0.00 C ATOM 1577 C LYS A 101 -13.699 5.787 -0.297 1.00 0.00 C ATOM 1578 O LYS A 101 -13.809 6.590 -1.221 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.122 3.856 0.173 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.344 4.611 -0.300 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.443 4.637 0.756 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.869 3.246 1.187 1.00 0.00 C ATOM 1583 NZ LYS A 101 -18.892 3.296 2.262 1.00 0.00 N ATOM 0 H LYS A 101 -12.963 2.798 0.641 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.875 4.085 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.273 2.790 0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.008 3.997 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.063 5.633 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.726 4.148 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -17.093 5.192 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -18.307 5.173 0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.268 2.705 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.999 2.691 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.614 2.659 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -18.968 4.268 2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.812 2.996 1.880 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.575 6.144 0.970 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.562 7.533 1.375 1.00 0.00 C ATOM 1599 C GLU A 102 -12.396 8.258 0.723 1.00 0.00 C ATOM 1600 O GLU A 102 -12.544 9.360 0.195 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.453 7.619 2.896 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.634 9.019 3.445 1.00 0.00 C ATOM 1603 CD GLU A 102 -13.464 9.066 4.946 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -14.140 8.289 5.653 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -12.670 9.899 5.433 1.00 0.00 O ATOM 0 H GLU A 102 -13.481 5.482 1.740 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.488 8.010 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.202 6.965 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.477 7.242 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.911 9.688 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.626 9.386 3.181 1.00 0.00 H new ATOM 1612 N THR A 103 -11.241 7.619 0.771 1.00 0.00 N ATOM 1613 CA THR A 103 -10.025 8.167 0.208 1.00 0.00 C ATOM 1614 C THR A 103 -10.071 8.217 -1.317 1.00 0.00 C ATOM 1615 O THR A 103 -9.722 9.225 -1.928 1.00 0.00 O ATOM 1616 CB THR A 103 -8.827 7.333 0.662 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.783 7.303 2.093 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.540 7.906 0.122 1.00 0.00 C ATOM 0 H THR A 103 -11.122 6.703 1.203 1.00 0.00 H new ATOM 0 HA THR A 103 -9.926 9.191 0.568 1.00 0.00 H new ATOM 0 HB THR A 103 -8.939 6.320 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.352 6.576 2.423 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.701 7.296 0.458 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.572 7.910 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.415 8.926 0.485 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.490 7.129 -1.931 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.557 7.060 -3.375 1.00 0.00 C ATOM 1628 C ALA A 104 -11.507 8.116 -3.911 1.00 0.00 C ATOM 1629 O ALA A 104 -11.174 8.825 -4.856 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.987 5.679 -3.823 1.00 0.00 C ATOM 0 H ALA A 104 -10.789 6.280 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.563 7.254 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -11.031 5.647 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.268 4.941 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.971 5.454 -3.413 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.673 8.221 -3.285 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.685 9.198 -3.674 1.00 0.00 C ATOM 1638 C ALA A 105 -13.198 10.637 -3.505 1.00 0.00 C ATOM 1639 O ALA A 105 -13.542 11.512 -4.298 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.968 8.983 -2.893 1.00 0.00 C ATOM 0 H ALA A 105 -12.944 7.634 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.883 9.043 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.708 9.722 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.351 7.982 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.767 9.090 -1.827 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.409 10.905 -2.473 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.914 12.257 -2.275 1.00 0.00 C ATOM 1648 C LYS A 106 -10.816 12.588 -3.293 1.00 0.00 C ATOM 1649 O LYS A 106 -10.743 13.717 -3.778 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.507 12.527 -0.805 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.430 11.619 -0.231 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.031 12.000 -0.687 1.00 0.00 C ATOM 1653 CE LYS A 106 -8.579 13.334 -0.120 1.00 0.00 C ATOM 1654 NZ LYS A 106 -8.396 13.271 1.353 1.00 0.00 N ATOM 0 H LYS A 106 -12.105 10.223 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.733 12.950 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.163 13.558 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.397 12.441 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.474 11.654 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.635 10.590 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.329 11.223 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.006 12.044 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.642 13.631 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.315 14.101 -0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.704 13.989 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.305 13.453 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.050 12.327 1.620 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.008 11.591 -3.688 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.006 11.835 -4.725 1.00 0.00 C ATOM 1670 C TYR A 107 -9.601 11.801 -6.143 1.00 0.00 C ATOM 1671 O TYR A 107 -9.549 12.812 -6.842 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.830 10.852 -4.640 1.00 0.00 C ATOM 1673 CG TYR A 107 -6.899 11.064 -3.467 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -5.876 12.001 -3.544 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.000 10.305 -2.305 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -4.993 12.185 -2.500 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.128 10.486 -1.260 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.126 11.427 -1.357 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.251 11.604 -0.312 1.00 0.00 O ATOM 0 H TYR A 107 -10.029 10.641 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.635 12.842 -4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.227 9.838 -4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.251 10.922 -5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.770 12.597 -4.438 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.778 9.560 -2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.203 12.918 -2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.227 9.892 -0.364 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.940 12.533 -0.300 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.340 10.742 -6.498 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.115 10.765 -7.733 1.00 0.00 C ATOM 1691 C LYS A 108 -12.575 10.921 -7.376 1.00 0.00 C ATOM 1692 O LYS A 108 -13.047 10.245 -6.472 1.00 0.00 O ATOM 1693 CB LYS A 108 -10.932 9.527 -8.612 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.489 9.171 -8.959 1.00 0.00 C ATOM 1695 CD LYS A 108 -8.800 8.477 -7.800 1.00 0.00 C ATOM 1696 CE LYS A 108 -9.698 7.373 -7.298 1.00 0.00 C ATOM 1697 NZ LYS A 108 -9.063 6.483 -6.295 1.00 0.00 N ATOM 0 H LYS A 108 -10.414 9.880 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.749 11.604 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.386 8.675 -8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.483 9.678 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.472 8.523 -9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.942 10.076 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.841 8.069 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.593 9.189 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.591 7.817 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.025 6.771 -8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.613 5.604 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.093 6.258 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.037 6.962 -5.372 1.00 0.00 H new ATOM 1711 N SER A 109 -13.265 11.842 -8.017 1.00 0.00 N ATOM 1712 CA SER A 109 -14.644 12.128 -7.662 1.00 0.00 C ATOM 1713 C SER A 109 -15.503 10.870 -7.623 1.00 0.00 C ATOM 1714 O SER A 109 -15.650 10.159 -8.621 1.00 0.00 O ATOM 1715 CB SER A 109 -15.241 13.138 -8.630 1.00 0.00 C ATOM 1716 OG SER A 109 -14.484 14.339 -8.639 1.00 0.00 O ATOM 0 H SER A 109 -12.897 12.405 -8.784 1.00 0.00 H new ATOM 0 HA SER A 109 -14.636 12.549 -6.657 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.269 12.713 -9.634 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.271 13.355 -8.347 1.00 0.00 H new ATOM 0 HG SER A 109 -14.885 14.973 -9.269 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.140 10.704 -6.468 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.119 9.658 -6.184 1.00 0.00 C ATOM 1724 C GLU A 110 -16.840 8.312 -6.857 1.00 0.00 C ATOM 1725 O GLU A 110 -17.775 7.660 -7.324 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.535 10.145 -6.500 1.00 0.00 C ATOM 1727 CG GLU A 110 -18.714 10.671 -7.910 1.00 0.00 C ATOM 1728 CD GLU A 110 -20.151 11.028 -8.213 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -21.017 10.130 -8.152 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -20.424 12.212 -8.496 1.00 0.00 O ATOM 0 H GLU A 110 -15.982 11.320 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.027 9.461 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.233 9.323 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -18.802 10.932 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.087 11.551 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -18.371 9.920 -8.622 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.631 7.779 -6.695 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.395 6.417 -7.050 1.00 0.00 C ATOM 1739 C GLU A 111 -15.976 5.528 -5.941 1.00 0.00 C ATOM 1740 O GLU A 111 -15.713 5.751 -4.757 1.00 0.00 O ATOM 1741 CB GLU A 111 -13.895 6.207 -7.275 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.515 4.761 -7.310 1.00 0.00 C ATOM 1743 CD GLU A 111 -12.076 4.525 -7.738 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -11.152 4.947 -7.015 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -11.862 3.952 -8.834 1.00 0.00 O ATOM 0 H GLU A 111 -14.822 8.276 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.889 6.147 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.603 6.678 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.339 6.706 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.668 4.329 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.181 4.235 -7.994 1.00 0.00 H new ATOM 1752 N PRO A 112 -16.932 4.649 -6.292 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.720 3.879 -5.324 1.00 0.00 C ATOM 1754 C PRO A 112 -17.076 2.566 -4.882 1.00 0.00 C ATOM 1755 O PRO A 112 -17.596 1.491 -5.182 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.011 3.574 -6.082 1.00 0.00 C ATOM 1757 CG PRO A 112 -18.932 4.350 -7.351 1.00 0.00 C ATOM 1758 CD PRO A 112 -17.475 4.460 -7.634 1.00 0.00 C ATOM 0 HA PRO A 112 -17.841 4.447 -4.402 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.104 2.507 -6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -19.885 3.866 -5.499 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -19.456 3.841 -8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.390 5.333 -7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.081 3.564 -8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.247 5.299 -8.291 1.00 0.00 H new ATOM 1766 N ASP A 113 -15.907 2.655 -4.281 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.124 1.469 -3.914 1.00 0.00 C ATOM 1768 C ASP A 113 -15.944 0.449 -3.134 1.00 0.00 C ATOM 1769 O ASP A 113 -16.252 -0.630 -3.640 1.00 0.00 O ATOM 1770 CB ASP A 113 -13.925 1.872 -3.059 1.00 0.00 C ATOM 1771 CG ASP A 113 -12.991 2.807 -3.777 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.428 3.921 -4.117 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -11.828 2.423 -4.002 1.00 0.00 O ATOM 0 H ASP A 113 -15.466 3.540 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.799 1.012 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.279 2.349 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.379 0.977 -2.761 1.00 0.00 H new